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Computer Science Machine Learning

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Friday 4 September

Machine Learning · Cross-listed from astro-ph.HE

A Differentiable Neural Surrogate for Photon Propagation in Neutrino Telescopes

Large-volume neutrino telescopes infer neutrino properties from Cherenkov light, but simulating the transport of billions of photons through highly scattering ice or water is computationally costly. We introduce candela, a differentiable SIREN neural field that learns the photon Green's function of the IceCube Neutrino Observatory, a cubic-kilometer detector embedded in Antarctic glacial ice. Given a point-like energy deposit and sensor, it predicts the expected photon yield and full arrival-time distribution at the sensor. Complete events are simulated by decomposing charged-particle energy deposits into point-like sources and superposing their predicted sensor responses. Trained on Monte-Carlo simulations, candela generates events $50$–$100\times$ faster than existing methods, with cost scaling only weakly with neutrino energy. It keeps median yields within $2\%$ of the MC expectation and timing distributions at the MC statistical floor across six photon-count decades. The model also provides end-to-end gradients with respect to event parameters and opens a path toward optimizing scattering-medium properties, which often dominate systematic uncertainties in neutrino telescopes.
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All authors Felix J. Yu, Berthy T. Feng, Nicholas Kamp, Carlos A. Argüelles

Machine Learning · Cross-listed from cs.CV

Enhancing Multimodal Emotion Recognition via Multi-Feature Encoding and Attention-Based Fusion

Multimodal emotion recognition has attracted growing interest due to its importance in human-computer interaction, remote education, and healthcare. This paper proposes a novel multimodal emotion recognition framework that integrates rich audio and visual feature extraction with an attention-based fusion strategy. For audio, we extract three complementary feature types: semantic embeddings from Wav2Vec2, MFCC features, and statistical acoustic descriptors such as pitch, energy, and rhythm. These are aligned and fused via a BiLSTM to capture temporal dependencies. For video, we propose a ResNet50-BiLSTM architecture that combines deep residual learning and sequential modeling to extract expressive spatiotemporal features from facial sequences. To enhance multimodal synergy, we introduce a feature-level fusion mechanism based on multi-head attention, allowing the model to adaptively weigh contributions across modalities. Experiments conducted on the MELD and IEMOCAP datasets demonstrate that our model significantly outperforms baselines in both accuracy and robustness. Furthermore, ablation studies show that the attention-based fusion strategy significantly improves performance in unbalanced data settings. Our findings suggest that the proposed framework effectively captures diverse emotional cues from speech and visual expressions, and offers a practical and generalizable approach for real-world multimodal emotion recognition tasks.
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All authors Xu Lin, Ke Wang, Hui Kang, Xinying Wang

Machine Learning

WEECFP-SuRGE: A Position-Aware Substructure Encoding Method for Molecular Property Prediction

Computational molecular property prediction requires representations that capture local chemistry, long-range interactions, and molecular topology. Conventional fingerprints provide efficient local substructure features, whereas learned graph and sequence models can represent broader context but often rely on pretraining or three-dimensional conformers. We introduce Wide Encoded Extended Connectivity Fingerprints (WEECFP) with Substructure Rotary Graph-distance Encoding (SuRGE), a tokenized hierarchical Morgan representation in which graph-distance-dependent rotations are applied at the input and within transformer self-attention. Across MoleculeNet and the Therapeutic Data Commons ADMET benchmarks, WEECFP-SuRGE is competitive with recent pretrained and geometry-aware methods without external pretraining or conformer generation. We also show that the rotated token representation remains structurally informative. A guided confirmed-handshake overlap procedure reconstructs the correct constitutional isomer for 92.6% of a 4,200-molecule self-library evaluation. Together, the predictive and reconstruction results indicate that WEECFP-SuRGE preserves local substructure identity while making relative topology available to the model.
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Machine Learning

Interpretability for Turing Machines

We show that susceptibilities, an interpretability technique developed for neural networks, can identify the presence of algorithmic structure in Turing machines by probing the local loss landscape of a learning problem for noisy Turing machines introduced by Murfet and Troiani (arXiv:2504.08075). We prove that symmetries and path separation in the algorithm implemented by a Turing machine induce permutation symmetries and low-rank blocks in its susceptibility matrix. We study this empirically on a set of deterministic finite automata (DFAs) and demonstrate that algorithmic features can be recovered by principal component analysis and clustering methods in susceptibility space.
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All authors Billy Snikkers, Rumi Salazar, Daniel Murfet, Will Troiani

Machine Learning · Cross-listed from cs.IR

Latent-Aligned Reasoning for Multimodal Recommendation

Multimodal Vision-Language Models (VLMs) have demonstrated remarkable capabilities in cross-modal understanding, yet a fundamental challenge persists when applying them to recommendation: as representations propagate through multi-step reasoning, both visual and textual signals progressively attenuate - a phenomenon we term cross-modal dilution. To address this, we propose LARK (Latent-Aligned Reasoning frameworK), a two-stage latent reasoning framework with complementary alignment mechanisms within a single VLM. In the first stage, learnable latent tokens are interleaved with multi-step chain-of-thought (CoT) reasoning and explicitly aligned with a frozen vision encoder, serving as visual checkpoints that preserve perceptual details throughout the reasoning chain. In the second stage, the latent representations are projected via a bridge MLP and trained with item-to-item contrastive learning; to prevent the reasoning semantics from fading, intermediate features are aligned with the CoT hidden states from the first stage, anchoring the final embeddings to the model's own reasoning output. Experiments on three public benchmarks and one industrial dataset show that LARK achieves state-of-the-art performance across multiple recommendation architectures, with controlled ablations confirming the distinct contribution of each component.
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Machine Learning

SMILE: Bridging Continuous Optimization and Discrete Symbolic Recovery

Symbolic regression (SR) discovers closed-form mathematical expressions from data, offering interpretability beyond black-box models. Existing methods suffer from slow convergence in combinatorial search spaces and lack mechanisms to exploit compositional structure in the data. We introduce SMILE (Sine, Multiplication, Identity, Logarithm, Exponential), a hybrid framework that unifies continuous gradient-based optimization with discrete symbolic recovery through three stages: structural analysis of the data to identify the compositional hierarchy of the target expression, continuous optimization to learn parameters of a network that encodes the target expression using interpretable activations, and symbolic recovery through structured pruning, coefficient optimization, and rounding. This final stage distills the learned network into a compact expression with exact symbolic constants. We evaluate SMILE on SRBench across ground-truth and black-box datasets, with ablation studies validating each component. SMILE achieves the highest symbolic solution rate at the largest noise levels, demonstrating strong robustness where competing methods degrade substantially. It consistently lies on the Pareto front of accuracy versus complexity, recovering significantly simpler expressions in a fraction of the time required by the competing methods.
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Machine Learning · Cross-listed from cs.CL

Tracing Audio Grounding and Answer Selection in Audio LLMs

Audio Large Language Models (Audio LLMs) have advanced in audio understanding, yet they can still predict the answer by reasoning from textual cues or linguistic priors rather than the provided audio. A common remedy is to train models on data whose answers cannot be inferred from text alone. This approach can improve performance, but what changes within the model remains unclear. In this paper, we ask what must happen inside the model for the audio to actually determine the answer. Our findings are threefold. (1) Replacing the audio with silence or unrelated audio causes substantially larger performance degradation in the trained model than in the pretrained model. (2) Acoustic information most strongly shapes the model's representations of the answer choices in early-to-middle layers, while training mainly increases the influence of audio information on the final prediction in middle-to-late layers. (3) The weights learned during training have their largest impact in specific layer bands. Together, these results provide a mechanistic account of how training strengthens the use of acoustic evidence in Audio LLMs.
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All authors Hyebin Cho, Suho Yoo, Jihoo Jung, Joon Son Chung

Machine Learning

Too Rare to Learn: Prescribed Cyclone Tracks Degrade a Bay of Bengal Ocean Emulator

Neural ocean emulators are being proposed for regional forecasting in cyclone-exposed coastal seas, and a natural design choice is to hand the network the cyclone as a prescribed input. We test that choice in the Bay of Bengal and find it harmful. We withhold 15 whole cyclones spanning 65 to 150 kt from GLORYS12 reanalysis and compare two U-Nets that are identical except for four prescribed cyclone-track channels. Across three seeds the ocean-only model beats persistence in every run and the storm-conditioned model loses to it in every run, with the two skill ranges disjoint (p = 3.1e-5, paired across storms). The cause is exposure frequency rather than signal content: the channels are non-zero on only 7.9% of training days, so they are out of distribution the moment they activate. The extra error falls inside the prescribed storm footprint, and replacing the real cyclone map with a no-storm map at inference improves held-out storm forecasts by 7.5 to 16.4% in every seed. The conditioned network has learned a response to a rare signal that is confidently wrong.
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Machine Learning · Cross-listed from cs.SD

SCAPES: Semantically Conditioned Autoregressive Prior for Environmental Sounds

As generative audio models grow in complexity, the computational and ecological costs of synthesizing everyday sounds have become increasingly prohibitive, often requiring industrial-scale resources and massive datasets. In this paper, we present SCAPES: a Semantically Conditioned Autoregressive Prior for Environmental Sounds. SCAPES is a lightweight, resource-efficient generative model designed to synthesize high-fidelity environmental textures through high-level semantic control. By operating on the continuous latent manifold of a neural audio codec, our approach bypasses the rigid structural constraints inherent to discrete tokenization. We propose a segmentation strategy that decomposes audio into overlapping segments, enabling a Continuous Normalizing Flow (CNF) to model the evolution of latent trajectories using Flow Matching. Our experiments demonstrate that a 36-million parameter instance of SCAPES can be trained on limited, uncurated datasets using a single consumer-grade GPU. Notably, convergence is achieved after training for approximately twice the source audio duration, yielding high-fidelity outputs with robust long-term stability and semantic consistency. Furthermore, we showcase the model's capacity for smooth semantic interpolation, providing a flexible and accessible tool for open research and creative sound design. Code, pretrained weights, audio examples, and an interactive demo are publicly available on our project page https://cordutie.github.io/projects/scapes.html
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All authors Esteban Gutiérrez, Lonce Wyse, Frederic Font, Xavier Serra

Machine Learning · Cross-listed from cs.AI

SiLR: Structure-Preserving Admission and Process Reward for LLM Tool Agents

A runtime gate for an LLM tool agent is usually cast as a filter. In a ReAct loop a rejected proposal is followed by another at the same state, so the gate is a search operator over the proposal stream whose admission criterion shapes which trajectories are reachable. We study post-violation recovery admission, where progress must be admitted while the system is still in violation, and identify the scalar projection trap: an aggregate-score gate accepts a locally improving proposal and commits the trajectory to a plateau. SiLR instead shadow-executes each proposal and admits it under a product order over the branch-level violation state (overloaded-branch support and per-branch severity). We prove that no scalar surrogate is sound for this order, so the failure is representational, not a matter of threshold tuning. On mined Gym-ANM scenarios, SiLR recovers 21/21 multi-action episodes against 0/21 for terminal and 9/21 for the best scalar gate, significant across the full 24-scenario benchmark. The terminal-versus-structured dichotomy holds across three model families and in CityLearn. Because admission rests on deterministic simulation, the LLM lies outside the trust boundary: a magnitude-redistribution attack that defeats both scalar and support-only baselines is contained only by the full per-branch predicate. With two constraint families active, every tested scalar projection admits physically unsafe actions; support-only admits the largest fraction (63.2% of 42,410; product order 0). In the hardest dual-family traces, scalar gates recover only through that unsafe class. Reused as a GRPO process reward, it outperforms its count projection in every mined scenario and is the only tested reward whose ungated policy exceeds the untrained base (0.844 vs. 0.778). Scalar projection loses the violation geometry at both design points; only the full product order is structurally sufficient.
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All authors Chenyu Zhou, Qiliang Jiang, Shuning Wu, Xu Zhou

Machine Learning

GNN-Guided Graph Coarsening and Adaptive QUBO Penalties for the Capacitated Vehicle Routing Problem with Time Windows on a Quantum Annealer

Graph coarsening reduces the large Quadratic Unconstrained Binary Optimization (QUBO) formulations arising when vehicle-routing problems are solved by quantum annealing. Nearby customers with compatible time windows are merged into super-nodes, the reduced problem is solved, and the solution is expanded to the original graph. For the Capacitated Vehicle Routing Problem with Time Windows (CVRPTW), existing coarsening heuristics require family-specific tuning and remain unreliable on random instances. We address these limitations on the Solomon benchmark using simulated annealing and a D-Wave Advantage2 processor. We first introduce adaptive penalty calibration. Uniform penalty scaling has little effect, whereas controlling the internal coefficient range substantially improves raw samples. Removing non-binding constraints, normalising binding ones, and scaling the remaining penalties reduces mean raw constraint violations from 33.0 to 0.06 at the same solver budget (p=3.7e-11, n=56). A variable-count-preserving control attributes this gain to conditioning rather than problem size. Second, we replace the hand-tuned merge score with a graph neural network (GNN) using one configuration across all families. At N=10, it achieves 100% feasibility across all Solomon families, including R-type (100% vs. 80% for the tuned heuristic). Across N=10,...,100, feasibility is 83% vs. 69%, with the GNN better or tied on 85/90 instance-size pairs. At N=80,100, the difference is significant (p=0.002; 25/25 pairs), while the QUBO remains approximately 5-6 times smaller. Finally, hardware experiments reproduce the conditioning effect at fixed logical variable count: feasible samples increase from 0.02% to 39% across 13 instances. Classical repair with local search remains a reference bound for end-to-end solution cost.
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Machine Learning · Cross-listed from cs.CV

Hidden In Plain Gaze: Gaze Representations as Privacy Controls for Utility and Re-identification Risk in XR

Intelligent extended reality (XR) systems increasingly use eye and head tracking to infer user intent, task, and attention, but the same signals can also reveal biometric identity. We study whether gaze data representation choice can serve as a lightweight privacy control at feature extraction, before adding perturbation or formal privacy mechanisms. Using the egocentric HoloAssist dataset, we compare three gaze representations under matched model capacity: raw gaze, spatial attention heatmaps, and engineered eye-movement features. We evaluate each representation on action recognition as task utility and closed-set user re-identification as privacy leakage. Representation choice substantially changes the privacy-utility tradeoff. Engineered features retain roughly 85% of raw gaze's action-recognition accuracy while reducing re-identification by about an order of magnitude, to roughly four times the chance rate across 206 identities. This reduction attenuates rather than eliminates identity leakage, and the differences across representations show that abstraction alone does not guarantee privacy. Engineered features expose interpretable and auditable structure, giving designers a transparent privacy lever that complements mechanisms such as differential privacy.
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Machine Learning

Representation Redundancy and Structural Complexity in Finite-Field Inversion

The representation chosen for a mathematical operation can affect both its algebraic form and its empirical learning difficulty. We study this phenomenon for inversion over \(\mathbb F_{2^n}\), with field elements expressed in varying ordered \(\mathbb F_2\)-bases. We prove that two ordered bases induce the same coordinate inversion map if and only if they belong to the same Galois orbit. Since every orbit has size \(n\), the correspondence between ordered bases and distinct inversion maps is exactly \(n\)-to-one. We then analyze three Boolean formulations of inversion. The reference formulation has algebraic degree \(n-1\) and joint ANF leap \(1\), the mixed representation formulation has degree \(2(n-1)\) and joint ANF leap \(2\), and the complete raw formulation has degree at most \(3(n-1)\) and joint ANF leap at least \(n\). Exhaustive computations agree with the theoretical results and bounds in the cases considered. Controlled experiments with multilayer perceptrons show the same ordering in learning difficulty, while Galois orbit redundancy provides only a limited generalization benefit under the tested conditions. These results show that exact redundancy among representations can coexist with changes in Boolean structure and learning behavior when the representation is exposed as part of the input.
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Machine Learning · Cross-listed from math.OC

Centered Permutation Prefixes for SGD with Random Reshuffling: Sharp Rates, Hölder Geometry, and Composite Proximal Extensions

We study stochastic gradient descent with random reshuffling for finite sums \[ F(x)=\frac1n\sum_{i=1}^n f_i(x). \] For fresh reshuffling with a constant component stepsize, if each $f_i$ has an $L$-Lipschitz gradient and the average $F$ is $\mu$-strongly convex with a Lipschitz-continuous Hessian, we prove the last-epoch rate \[ \mathbb E[F(y_K)-F(x_\star)] =\widetilde O\!\left(T^{-2}+n^2T^{-3}\right), \qquad T=nK, \] matching the known quadratic lower bound in its $(n,K)$-dependence. The components may be nonconvex, and no componentwise Hessian continuity or separate bounded-iterate assumption is required. More generally, a $\nu$-Hölder-continuous average Hessian adds only $\widetilde O(n^{1+\nu}T^{-2-2\nu})$, so every $\nu\ge 1/2$ preserves the quadratic rate. Under convex components, a decreasing-stepsize result removes the large-epoch requirement and recovers the same two-term scale once $nK$ exceeds the condition-number scale. We also analyze epoch-wise ProxRR for $\mathcal P=F+\psi$. Writing $x^\dagger$ for the composite minimizer and $\beta_\star=\|\nabla F(x^\dagger)\|$, we prove \[ \mathbb E\|y_K-x^\dagger\|^2 =\widetilde O\!\left( \frac{\beta_\star^2}{K^2} +T^{-2}+n^2T^{-3} +n^{1+\nu}T^{-2-2\nu} \right). \] For $\nu\ge 1/2$, we show that the $\beta_\star^2/K^2$ splitting term is unavoidable and obtain a matching lower bound up to logarithms in the stated constant-stepsize regime.
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Machine Learning

Optimizer Memory Schedules for Outscaling the Overtraining Axis

We investigate how optimizers scale across the overtraining axis and show that relative optimizer performance and optimal hyperparameters change substantially with training horizon. In particular, we study how matrix-preconditioned methods (Muon and SOAP) and a momentum-scheduled method (ADANA) scale relative to AdamW. We compare these four optimizers across models from 51M to 253M parameters and overtraining (OT) factors from 1x to 256x, sweeping the base learning rate at every setting. The preferred learning rate schedule can reverse across the overtraining axis, the best weight decay coefficient scales approximately as sqrt(OT), and longer horizons generally favor longer fixed memory. ADANA's scaling advantage over AdamW persists after tuning AdamW's fixed memory separately at each horizon. Log-time weight decay and momentum cooldown provide substantial gains for ADANA that compound as training increases. With this treatment, ADANA outscales AdamW with an exponent advantage close to that predicted by DANA theory on power-law random features. Muon and SOAP instead provide roughly constant token-efficiency advantages over AdamW across most of the measured range, although SOAP may gain further at the highest overtraining factors. ADANA begins behind both matrix-preconditioned optimizers but closes the gaps as training increases, surpassing Muon and becoming competitive with SOAP at our highest OT factors. These results establish training horizon as an essential axis for optimizer evaluation and design.
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Machine Learning

Training-Free Halving of Activated Experts in Fine-Grained Mixture-of-Experts Models

Modern fine-grained Mixture-of-Experts (MoE) models route each token to a small number of experts and renormalize their router probabilities. We show that this renormalization implicitly calibrates expert output gain to the training top-$k$: reducing $k$ at inference changes not only which experts are used but also the strength of the expert branch. We separate these effects by activating the top $k_1$ experts while normalizing by the probability mass of the top $k_2$ experts, introducing one integer with no parameters, training, or measurable compute overhead. On Qwen3.6-35B-A3B, reducing from 8 to 4 experts causes a 4.65-point MMLU drop under standard renormalization but only 0.35 points with $k_2=16$, while halving routed-expert compute. The result replicates on the $11\times$ larger Qwen3.5-397B-A17B, where reducing from 10 to 5 experts loses only 0.55 points with an appropriate reference set. Removing renormalization entirely is catastrophic, showing that preserving a suitable reference mass is crucial. We further find that perplexity and downstream accuracy favor different $k_2$, cautioning against selecting MoE compression settings using unlabeled text alone. Analyses also show that expert identity matters substantially more than expert weighting, while balanced and domain-specialized routing leaves limited room for expert pruning.
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Machine Learning · Cross-listed from cs.IR

MURAL: Multimodal Uncertainty-aware Recommendation via Adaptive edge Learning

Multimodal Graph Neural Networks have become standard for recommendation by augmenting sparse interaction data with content features. Yet current architectures face two bottlenecks: structural rigidity, from a reliance on static precomputed similarity graphs that cannot adapt to evolving preferences; and semantic fragility, where noisy modality signals are indiscriminately fused, distorting the collaborative signal. We propose MURAL (Multimodal Uncertainty-aware Recommendation via Adaptive edge Learning), a unified framework that shifts multimodal recommendation from fixed structural augmentation to dynamic topology discovery. To address structural rigidity, an Adaptive Edge Learner combines a differentiable retrieval-augmented strategy with an approximate nearest neighbor search to discover latent item-item correlations that are both semantically adaptive and computationally scalable (O(NlogN)). To address semantic fragility, an Uncertainty-Aware Fusion module models the aleatoric uncertainty of heterogeneous modalities, dynamically down-weighting unreliable features while prioritizing high-confidence signals as a defense against cross-modal noise. We further employ a contrastive teacher-student alignment that anchors modality-specific representations to stable behavioral signals, ensuring optimization stability without gradient leakage. Experiments on large-scale benchmarks including TikTok and Amazon show that MURAL significantly surpasses both structural and generative state-of-the-art baselines, achieving superior accuracy while offering interpretability through domain-specific modality dominance and robustness under extreme data corruption.
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All authors Ahmad Mousavi, Majid Alikhani, Yeon-Chang Lee, Roberto Corizzo, Yeganeh Abdollahinejad

Thursday 3 September

Machine Learning

SW-KAN: Kolmogorov-Arnold Networks with Stieltjes-Wigert q-Orthogonal Polynomials

Kolmogorov-Arnold Networks (KANs) represent a paradigmatic shift in deep learning by replacing fixed node activations with learnable univariate functions on edges, offering enhanced interpretability and parameter efficiency. While recent polynomial-based KAN variants have addressed the computational overhead of original B-spline implementations, they introduce a fundamental yet underexplored challenge: the domain mismatch between unbounded real-valued inputs and the bounded or semi-infinite support of orthogonal polynomial bases. To address this limitation, we propose the Stieltjes-Wigert Kolmogorov-Arnold Network (SW-KAN), a novel architecture that employs Stieltjes-Wigert q-orthogonal polynomials defined on the semi-infinite domain (0, infinity). We introduce a smooth exponential-of-tanh mapping that stably bridges the domain gap while preserving well-conditioned gradients, and leverage a numerically stable three-term recurrence that evaluates polynomial expansions in O(N) operations without special-function calls. Through comprehensive experiments spanning image classification and continuous function approximation, we demonstrate that SW-KAN achieves superior accuracy-efficiency trade-offs across diverse tasks. The log-normal weight structure and learnable q-parameter of Stieltjes-Wigert polynomials provide a distinct inductive bias that enables robust performance under resource-constrained conditions, including reduced feature dimensionality and limited training data. The proposed architecture not only outperforms established polynomial KAN baselines on standard benchmarks but also exhibits strong representational capacity for approximating complex multivariate functions with remarkably few parameters, making it a compelling alternative for efficient function approximation and classification in resource-constrained settings.
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Machine Learning

Fast Polynomial Transcendentals for LLMs

Graphics processing unit (GPU) generations scale matrix, special-function, and memory pipelines at different rates, so kernel bottlenecks move as hardware evolves. FlashAttention-4 exposed this imbalance inside attention on NVIDIA Blackwell. We test whether short polynomial programs can accelerate other special-function-unit (SFU) operations in large language models (LLMs). We first compare native PyTorch evaluation with packed fused multiply–add (FMA) programs in an isolated IEEE binary16 (FP16) sweep spanning L2-resident and high-bandwidth-memory (HBM)-resident working sets. We then replace native sigmoid, tanh, and sigmoid linear unit (SiLU) with degree-3 or degree-4 bfloat16 (BF16) programs in four GB200 integration tasks: dense SiLU, tanh-softcapped attention, sigmoid attention, and routed-expert Swish-gated linear unit (SwiGLU). The programs combine analytical symmetry, target-format rounding, and packed arithmetic inside consuming kernels. The isolated paths improve by 1.19–2.19x in L2 and 1.00–1.70x in HBM. The dense-SiLU, tanh-softcapped-attention, and routed-expert substitutions improve complete training-step throughput by 2.7%, 2.9%, and 8.0%, respectively. The sigmoid-attention substitution improves complete-attention forward by 7.4% and the complete GPU step by 0.3%. Same-checkpoint open-weight ablations and one paired pre-training comparison per task extend the evaluation to model behavior. At common horizons near 100 billion tokens, the final smoothed training-loss differences (polynomial minus native) range from $-0.107$ to $+0.079$ across the four tasks.
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Machine Learning

Not All Ranks Are Equal: Budget-Aware LoRA Merging Across Tasks

Merging low-rank adapters (LoRAs) promises to eliminate the overhead of swapping task-specific weights at inference time. However, existing merging methods assume every layer needs the same rank budget. Further, some methods assume that rank budget needs to be split equally among the tasks too. We show this uniform-budget assumption is a major source of the performance gap between merged and per-task LoRAs. However, rank selection is an NP hard problem. To this end, we introduce Net Utility, a data free metric that first decomposes every task LoRA by its Singular Value Decomposition (SVD) and scores each of those singular directions by its task utility and its interference with other tasks directions. Next, we globally pool these scores to select singular directions with the highest values with a constraint on the total number of directions selected. The proposed Net Utility metric is applied on top of five different merging methods across three different merging spaces. The merging is done over two sets of tasks, vision and language tasks. Net utility based rank allocation outperforms its counterparts without that allocation. On average, over vision tasks it achieves +2.1% improvement in performance, and +2.2% improvement over the language tasks.
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All authors Avinash Amballa, Yashas Malur Saidutta, Wenbo Li, Lazar Valkov, Srinivas Chappidi

Machine Learning · Cross-listed from cs.CL

Seeing Through Conflicts: Improving Instruction Hierarchy Alignment in Vision-Language Models

Instruction hierarchy (IH) alignment teaches language models to prioritize higher-level instructions when inputs conflict. While studied primarily in text-only settings, vision-language models (VLMs) introduce new challenges for IH: instructions may be embedded in images, split across modalities, visually transformed, or encountered during agentic tasks. Positing multimodal IH alignment as a reasoning problem, we train VLMs using reinforcement learning with rule-based rewards, comparing text-only, image-only, and mixed-modality supervision. We find that text-only IH training partially transfers to multimodal attacks, failing when models must decode, reconstruct, or reason over instructions across modalities. Image-based training improves robustness beyond text-only supervision, while mixed-modality training performs best overall. Importantly, the benefits generalize beyond the synthetic typographic training setting to real-image and web-agent safety tasks, while largely preserving general multimodal capability, showing that lightweight, verifiable supervision can meaningfully improve VLM robustness under adversarial, cross-modal, and interactive instruction conflicts.
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Machine Learning

SCALE: Simulation-Calibrated Amortized Learning for Energy Materials (A hybrid architecture connecting deterministic modeling, real-world data, and transformer-scale inference for accelerated energy-materials discovery)

Energy systems face converging pressures for security, affordability, resilience, and sustainability, creating a need for faster discovery of deployable energy materials. Here we introduce SCALE (Simulation-Calibrated Amortized Learning for Energy Materials), a physics-grounded, real-world-data-calibrated learning architecture that connects deterministic scientific operators, experimental calibration, expanded calibrated label generation, and transformer-scale inference. SCALE converts selected high-cost mechanistic computation and measured evidence into reusable models for rapid screening, ranking, inverse design, and active learning. We formulate the framework, identify ten method-based application regimes, and demonstrate SCALE for solid-state metal-hydride hydrogen-storage capacity prediction. In this implementation, a hydride phase-equilibrium capacity operator is calibrated against 381 measured ML-HydPARK capacity anchors and used to generate 5,000 candidate-condition-prototype teacher labels. A crystallographically anchored periodic-graph representation preserves atomic sites, periodic neighbor relationships, and local metal environments absent from formula-only encodings. An edge-biased graph transformer with 2.90 million parameters reproduces calibrated teacher labels with five-fold surrogate fidelity of MAE 0.0582 wt% H2, RMSE 0.0833 wt% H2, R2 = 0.9927, and Pearson r = 0.9963. Post hoc attention analysis suggests that SCALE learns chemically organized element groupings and metal-metal relationships consistent with established hydride chemistry, without chemistry-group labels as supervision. Once trained, SCALE shifts million-candidate evaluation from repeated deterministic workflow execution to batched learned inference, reducing per-candidate screening cost by approximately 10^7-10^8 while retaining links to simulation and experimental evidence.
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Machine Learning

CNA: An AI-Oriented Comprehensive Normalized Assessment for Healthy Status and Application to Optimize RRT Strategies by Reinforcement Learning

Millions worldwide require Renal Replacement Therapy (RRT) as a treatment essential for survival. However, optimizing RRT strategies via AI is challenging due to heterogeneous patient dynamics, missing data, and the absence of an AI-oriented health assessment criterion. We propose an AI-Oriented Comprehensive Normalized Assessment (CNA) for healthy status and apply it to optimize RRT strategies by using offline reinforcement learning (RL). The key idea of CNA is transforming vital-sign distributions into a standard normal space, enabling a unified, data-driven health-status score defined by deviations from referent intervals, which also provides an AI-oriented criterion to assess strategy quality and supports RL termination. We further design a structured 23-dimensional state representation that integrates 19 indicators with 4 RRT descriptors, and employ matrix decomposition to reconstruct missing vital signs, improving data completeness for learning. These components are incorporated into multiple offline RL algorithms and validated via systematic ablation studies on RRT feature subsets. Compared with physicians' observed treatments, the best learned strategy reduces mortality from 13.2% to 5.0% (reducing 62.24%) and shortens average in-hospital stay from 308.5 to 250.1 hours (reducing 18.93%), demonstrating both methodological innovation and the potential of CNA-guided RL to improve RRT outcomes in nephrology.
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All authors Jiang Liu, Chan Zhou, Yujie Li, Di Wu, Yihao Xie, Peiwei Li, Xin Shu, Jiaqi Zhu, Chunyong Yang, Yuwen Chen, Bin Yi

Machine Learning

List Counting Failures Are Not One Phenomenon

Counting the items in a bracketed list looks trivial, yet open-weight chat models often get it wrong. Prior work usually blames input bottlenecks such as subword fragmentation or attention dilution, which predict that different models should fail in roughly the same way. Across seven instruct models on identical prompts, however, wrong answers form distinct modes: Qwen and Gemma 27B often flip odd lengths to a nearby even integer, OLMo concentrates errors on a few mid-sized integers, and Llama tends to under-count. These modes are useful labels rather than a stable family law (Gemma 9B does not reproduce Gemma 27B's odd-to-even drop), and heavier subword fragmentation does not make counting harder on our benchmark. When the model answers incorrectly, a linear probe can usually still recover the true count from the residual stream. Matching the same odd-to-even error also does not imply the same late-MLP magnitude fix: scaling a late MLP output helps Qwen modestly but is near null on Gemma 27B under the same protocol, while residual steering can move both only by trading odd gains for even losses. These results caution against transferring that magnitude fix across models without a transfer check.
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All authors Iyad Ait Hou, Saad Mankarious, Aya Zirikly, Rebecca Hwa

Machine Learning

A Synthetic Multivariate Refrigerator Time-Series Dataset for Predictive Maintenance

We generated synthetic multivariate time series for 27 refrigerators with a simplified physicsinspired simulator at one-minute resolution. The simulator includes ambient-temperature variation, door use, thermostat and compressor operation, heat exchange, defrost, electrical consumption, and six progressive degradation types. Each refrigerator provides 15 to 20 sensor outputs according to its configuration. The dataset contains 7,066,161 rows in 27 time-series files and 27 failure logs. The release also includes the Python generator, refrigerator configurations, and documentation. The data can support failure prediction, degradation analysis, and learning across refrigerators with different sensor-output sets.
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Machine Learning · Cross-listed from cs.CL

Assessing Adversarial Robustness of Latent Reasoning Models

Large language models increasingly rely on long chain-of-thought (CoT) trajectories for complex reasoning, but autoregressive generation brings substantial memory and inference costs. Latent reasoning models (LRMs) offer a more efficient alternative by compressing intermediate reasoning into a small number of continuous latent vectors. Despite their efficiency, however, the adversarial robustness of LRMs remains largely underexplored. In this work, we systematically evaluate the robustness of latent reasoning across textual and multimodal settings, covering eight models and six benchmarks. We find that, across our evaluated settings, LRMs are generally less robust than explicit CoT baselines under adversarial perturbations, with particularly severe degradation under white-box attacks. Further analysis reveals distinct failure modes across modalities: textual latent states exhibit brittle dynamics and high sensitivity to specific input patterns, while latent states in multimodal models can remain largely invariant to input perturbations and have limited influence on final predictions. These findings expose robustness limitations of current latent reasoning approaches and highlight the need to jointly consider efficiency and robustness when designing implicit reasoning systems. We have open-sourced our code to facilitate reproduction of our research https://github.com/PKU-ML/latent-reasoning-model-assessment.
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All authors Shaolong Chen, Ang Li, Mingjie Li, Yisen Wang

Machine Learning · Cross-listed from cs.IR

Guiding the coarse levels of semantic IDs makes the fine levels learnable

Generative retrieval represents each item by a short Semantic ID and casts recommendation as autoregressive generation of that sequence. Because the tokenizer is trained independently to reconstruct an item embedding, its codes are aligned with neither the downstream LLM nor the end task. Nearly every SID system therefore spends extra effort to bridge this gap–alignment corpora, reasoning/RL, or per-token encoders to make codes legible, or learned tokenizer supervision to make them task-aware–yet the recovered meaning is content-derived and may not be the meaning the task needs. We introduce Guided SID, which instead makes the levels that matter most meaningful by construction: we force the coarse RQ-VAE levels to encode a predefined categorical attribute–chosen to be text-grounded (hence legible to the LLM) and task-relevant–by deterministic supervised index assignment (overriding nearest-neighbor selection with the attribute label) while keeping the codebooks learnable (they still receive reconstruction gradients). A trie-merge construction maps any high-cardinality or set-valued attribute onto the fixed code budget while keeping merged buckets semantically coherent. Guiding costs nothing intrinsically: collision and reconstruction match or beat the vanilla baseline despite pinning the coarse level. In a matched end-to-end A/B differing only in the SID encoding, the guided retriever improves recall@k at every list length we measure (1.36x at k=1, 1.39x at k=10), raises mean reciprocal rank from 0.0260 to 0.0355, and predicts the pre-defined attribute 4.2x more often.
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Machine Learning · Cross-listed from cs.CL

Swiss-Knife: A Framework for Reconfigurable Externalised Multi-Objective Alignment at Decode Time

Decode-time alignment methods steer a frozen language model by scoring candidate continuations with an external reward and selecting the maximiser. We argue that this shared design is a single degenerate point in a much larger space. We introduce Swiss-Knife, a framework for externalised multi-objective alignment in which the alignment specification is a first-class runtime object: hot-swappable scoring blades, a batch normaliser, a pairwise aggregation operator, and a selection rule. Six axioms characterise the admissible aggregation operators, and we prove a representation theorem: every operator satisfying them has the form $R_i = \sum_{j \neq i} g((\mu_i - \mu_j)/s(\sigma_i,\sigma_j))$, a two-parameter family containing probit and logistic comparison rules and pointwise argmax as named coordinates. Within it, pairwise aggregation is Lipschitz-stable under adversarial reward contamination while argmax is not, and Candidate-Batch Normalization (CBN) makes the weight simplex invariant to the rescalings under which reward models are only ever identified. Our reference instantiation pairs DPO-LoRA blades with an uncertainty-aware pairwise tournament. Sweeping the helpfulness/honesty/harmlessness simplex, it attains the best balanced frontier of six decode-time methods (harmonic $F_1$ 0.797 vs. 0.750 for the strongest baseline, $p < 10^{-14}$) with the lowest refusal rate and highest helpfulness of any arm, and reconfigures its objectives in 0.05 ms with no gradient computation. Ablating CBN costs 0.217 $F_1$, and the metadata confirms the predicted mechanism: the lowest-variance blade retains 9% of its nominal 33% influence, and the collapse follows the predicted ordering.
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All authors Agnibh Karmakar, Mayur Parvatikar, Shreyash Dhoot, Amit Dhanda, Aman Chadha, Kapil Wanaskar, Vinija Jain, Amitava Das

Machine Learning · Cross-listed from cs.RO

GzDRL: Reproducible and Scalable Deep Reinforcement Learning with Gazebo

We present GzDRL, a novel single-process reinforcement learning (RL) framework for Gazebo that overcomes longstanding bottlenecks in scalable, reproducible robotics experimentation. Unlike conventional middleware-based RL-Gazebo integrations that suffer from nondeterminism and irreproducibility, GzDRL introduces a systematic, middleware-free environment-stepping mechanism that directly synchronizes agent actions and physics updates. This design enables deterministic, high-throughput data collection, efficient vectorization, and reproducible RL training and evaluation. Comprehensive benchmarks demonstrate that GzDRL achieves the highest workstation throughput among the evaluated frameworks while remaining competitive with GPU-accelerated simulators on laptop hardware, and maintains precise agent-environment synchronization, multi-agent scalability, and experiment-level reproducibility. We further validate sim-to-real transfer by deploying learned policies directly onto a physical quadrotor, without fine-tuning. Our results establish GzDRL as an accessible and reproducible platform for advancing RL in robotics and automation.
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Machine Learning · Cross-listed from physics.ao-ph

Calibrating subgrid parametrizations of single-column ocean models via simulation-based inference

Subgrid parametrizations of vertical mixing in ocean models depend on free coefficients that cannot be measured directly and must be calibrated against high-fidelity references such as large-eddy simulations (LES). Existing approaches return point estimates and leave the associated uncertainty unquantified, a limitation when the inverse problem is ill-posed or when distinct parameter configurations fit the data comparably well. Simulation-based inference (SBI) addresses exactly this: given a prior and access to the simulator, it approximates the full posterior over parameters without requiring a tractable likelihood, at a cost set by the number of simulator evaluations. We apply it to tunax, a JAX-based single-column ocean model, to calibrate the coefficients of its $k$–$\varepsilon$ closure. A blockwise PCA summary statistic compresses the simulator output along the depth axis while preserving its forcing–horizon–variable structure, making inference tractable at modest budgets. We compare neural posterior estimation and its sequential variants against a recent training-free approach built on a tabular foundation model. The latter recovers informative posteriors from a few hundred simulator calls, outperforming the trained estimators at every budget considered.
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All authors Luben M. C. Cabezas, Sacha Wendling, Aurèle Gallard, Gabriel Mouttapa, Julien Le Sommer, Pedro L. C. Rodrigues