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版本更新 · v4arXiv:2605.08541

Tokens-per-Parameter Coverage Is Critical for Robust LLM Scaling Law Extrapolation

Joshua Shay Kricheli, Alexander Lawrence Reid, Soumajyoti Sarkar, Venkata Gandikota, Paulo Shakarian

原文摘要

Neural scaling laws approximate a language model's loss as a power-law function of parameter count $N$ and token count $D$. Following Chinchilla-style compute-optimal training, many studies fit scaling laws from runs at one or a few fixed tokens-per-parameter (TPP) ratios $k$, with $D = kN$. We show that this collinear design, combined with the empirically common near-equality of the exponents governing $N$ and $D$, induces an inherent ill-conditioning in the Gauss-Newton least-squares problem: the condition number of the design grows as the inverse square of the gap between the $N$- and $D$-exponents. The scale coefficients become practically unidentifiable, with confidence intervals inflating by orders of magnitude, yielding a "sloppy" model whose extrapolations degrade sharply off the training ray. We prove this for four scaling-law formalisms and derive a closed-form TPP-diversity threshold that characterizes well-conditioned estimation to leading order. Empirically, in controlled experiments with 5M-77M-parameter models, non-collinear designs outperform collinear ones on held-out data with a 97.3% win rate across four laws and five corpora, and 98.7% in bfloat16. We further show the degeneracy is rooted in Jacobian geometry and is not an artifact of the loss function: any smooth objective whose Gauss-Newton weights are bounded above and away from zero inherits the same ill-conditioning.

cs.LG

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arXiv ↗PDF ↗
新论文 · v1arXiv:2611.12871

Vendi 异常分数：高效准确的异常检测

Vendi Anomaly Scores for Efficient and Accurate Anomaly Detection

Amey Pasarkar, Adji Bousso Dieng

AI 速读 基于摘要

作者提出从多样性视角定义异常检测的 Vendi 异常分数（VAS），通过移除样本后数据集多样性的变化来识别异常，并在多组基准嵌入数据集与 ImageNet 实验上报告了有竞争力的结果。

cs.LG

arXiv ↗PDF ↗
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Anomaly detection (AD) is a critical for trustworthy machine learning and scientific discovery. Existing methods typically define anomalies through local density, isolation heuristics, or distance from a fitted distribution, making them sensitive to neighborhood scale, partitioning choices, or restrictive distributional assumptions. In this work, we introduce a new paradigm by formulating anomaly detection from a diversity perspective. We propose the $\textit{Vendi Anomaly Score}$ (VAS), which detects anomalies by quantifying how much a sample changes the diversity of the dataset, as measured by the Vendi score, when removed. VAS captures both local redundancy and global data structure without relying on density estimation or partitioning heuristics. Moreover, VAS requires no hyperparameter tuning, instead adapting automatically to the spectral structure of the data. VAS is non-parametric and scales linearly with dataset size. Across 148 benchmark embedding datasets derived from 10 source datasets and 4 embedding architectures, VAS achieves state-of-the-art AD performance. We further validate VAS on large-scale ImageNet experiments, where it remains robust as both contamination rate and dataset scale increase.

新论文 · v1arXiv:2611.12446

Pricing Symbolic Rules by What GNNs Leave Unlearned

Satabarto Sarkar, Prithwineel Paul

原文摘要

Symbolic knowledge (motif counts, ring counts, label constraints) is routinely added to graph neural networks (GNNs) and justified by their limited expressivity. We replace this yardstick with an exact one. The largest log-loss reduction a rule $S$ can give a model family is $I(Y;S\midσ)$ given what the family computes; every realised gain splits exactly into this term plus repaid neural debt; and for a trained network with representation $T$ the value is $I(Y;S\mid T)$, the label information training failed to extract. Rule design thus becomes rule discovery: we score candidates on the network's out-of-fold residual against calibrated permutation nulls with family-wise error control. On ZINC, discovery recovers the hidden ring term $\max(0,\ell_{\max}-6)$ of the target in three independent runs ($p_{\mathrm{adj}}=0.001$) and beats expert cycle counts; frozen and applied to five unseen datasets it is never significantly worse than the plain network or the expert rule, and on BBBP it significantly beats both.

cs.NE · cs.AI · cs.LG

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arXiv ↗PDF ↗
新论文 · v1arXiv:2611.11839

MOOD: Benchmarking Post-Hoc OOD Detection for Materials Property Prediction

Shirley X. Yu, Amey P. Pasarkar, Adji Bousso Dieng

原文摘要

Out-of-distribution (OOD) detection is essential for deploying machine learning models in high stakes scientific applications, yet methods that flag OOD inputs without retraining the model have been validated almost exclusively on image classification. We introduce MOOD (Materials Out-of-Distribution Detection), a benchmark for evaluating whether these post-hoc OOD detectors transfer to graph neural networks (GNNs) on materials property prediction. MOOD evaluates 15 post-hoc detectors and 2 supervised diagnostic probes across 4 GNN architectures, 5 MatBench tasks, and 15 physically motivated compositional and structural shifts, yielding 264 evaluation settings and over 13,000 AUROC measurements across three encoder training seeds. Our evaluation reveals three key findings. First, current post-hoc detectors perform near chance; all 15 detectors achieve an AUROC around 0.5. Second, detector failures decompose into two regimes: method bottlenecks and encoder bottlenecks. Method bottlenecks arise when supervised probes can separate in-distribution (ID) from OOD samples but unsupervised detectors fail, meaning that the embeddings contain OOD signal that current detectors do not extract. Encoder bottlenecks arise when even supervised probes fail to separate ID from OOD samples, indicating that the relevant shift is not accessible in the frozen GNN representation. Third, when OOD prediction error exceeds ID error, the AUROC of distance-based and density-based detectors correlates with the size of that gap. Collectively, these findings indicate that reliable OOD detection in scientific domains requires representation learning strategies that explicitly preserve OOD relevant signal, particularly for tasks where current GNN architectures encode no extractable signal at all.

cs.LG

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arXiv ↗PDF ↗
版本更新 · v2arXiv:2606.03014

MOSAIC: Efficient Mixture-of-Agent Scheduling via Adaptive Aggregation and Inference Concurrency

Saptarshi Mitra, Yifan Zhang, Rachid Karami, Sreetama Sarkar, Phyo Pyae Moe Aung, Nazmul Takbir, Souvik Kundu, Sitao Huang

原文摘要

Mixture-of-Agents (MoA) systems improve reasoning accuracy by routing each query to multiple expert LLMs and aggregating their outputs. Efficiently executing this workload on limited GPU resources has bottlenecks. Skill-based routing creates skewed expert demand, and combining instruction-tuned LLMs with long-reasoning models results in extreme variability in generation lengths. Consequently, traditional scheduling strategies suffer from significant GPU idling and throughput collapse due to load imbalances. We present MOSAIC, a scheduling framework for accelerating batch-oriented MoA workloads. MOSAIC uses two-stage workload-aware scheduling: an expert placement stage, where an integer linear program (ILP) decides expert placement, followed by a query-sequencing stage that schedules requests based on predicted output lengths. Additionally, MOSAIC uses confidence-aware adaptive aggregation, leveraging inter-expert agreement to bypass the heavy aggregator LLM for consensus queries. On a 4-GPU system, MOSAIC achieves 2.7-3.4x end-to-end speedups over round-robin scheduling and reduces the mean time-to-answer by 3.9-7.8x, while matching accuracy within +/-1pp.

cs.LG · cs.AR

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arXiv ↗PDF ↗
新论文 · v1arXiv:2611.10785

Proximal Preference Optimization: A Unified Framework for Stable and Reward-Free Alignment

Qisai Liu, Zhanhong Jiang, Zahid Hasan, Soumik Sarkar

原文摘要

We introduce a proximal preference optimization framework that unifies the implicit reward formulation of Direct Preference Optimization (DPO) with the trust-region stability of Proximal Policy Optimization (PPO). Our framework yields two complementary algorithms. P$^2$O (Proximal Preference Optimization) introduces a clipped importance ratio directly into the DPO preference margin, producing a reward-model-free algorithm that supports safe dataset reuse, bounded policy divergence, and monotonic preference improvement guarantees. PKTO (Proximal Kahneman-Tversky Optimization) extends P$^2$O by replacing the DPO margin with KTO's prospect-theoretic utility margins, adding a self-regulating adaptive baseline that tightens the effective trust region as the policy drifts, and an asymmetric weighting that handles imbalanced or asymmetric preference datasets. We provide a unified theoretical analysis, including Kullback Leibler (KL) trust-region bounds, a policy-improvement lower bound, and convergence guarantees under multi-epoch proximal updates. Empirically, P$^2$O and PKTO match or exceed DPO and KTO in alignment quality while maintaining better stability under repeated dataset reuse across multiple LLMs on three preference benchmarks. The code base is available here.

cs.LG · cs.AI

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arXiv ↗PDF ↗
版本更新 · v3arXiv:2605.22848

Uncertainty-aware neural emulation reveals climate-resilient maize traits at scale

Mojdeh Saadati, Juan Panelo, Gustavo Visentini, Soumik Sarkar, Carlos Messina, Baskar Ganapathysubramanian

原文摘要

Climate change threatens maize yields worldwide, yet identifying which genetic traits sustain productivity under future conditions requires exploring an enormous space of genotype, soil, and climate combinations that process-based crop models are too costly to simulate at scale. Here we develop an integrated probabilistic emulation framework that transforms a mechanistic crop simulator (APSIM) into a fast, uncertainty-aware discovery engine. Built from two million simulations and coupled to a generative weather model that produces realistic climate sequences, the emulator reproduces thirteen maize growth outputs with high fidelity while returning calibrated confidence for every prediction, at a fraction of the original computational cost. Applying it across 100,000 trait configurations, six locations, and future climate projections extending to the year 2100, we identify 1,114 trait combinations that remain resilient under the 2100 future conditions and a stricter subset of 246 configurations that remain resilient across four future projection periods: 2040, 2060, 2080, and 2100. These resilient configurations occupy a distinct region of trait space, combining high radiation use efficiency with characteristic shifts in developmental and reproductive traits. Trait-importance analysis further identifies radiation use efficiency as the dominant driver of yield under future climate, while projected yields vary widely across locations and climate models, indicating strong spatial heterogeneity in the maize response to climate change.

cs.CE · cs.LG · q-bio.OT

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arXiv ↗PDF ↗
新论文 · v1arXiv:2611.06409

Zero-Shot Coordination among LLM Agents

Adrian Hayler, Shashank Reddy Chirra, Andrei Lupu, Johannes Forkel, Bidipta Sarkar, Siheng Feng, Jakob Foerster

原文摘要

We study zero-shot coordination (ZSC), where independently developed agents must coordinate at test time. While ZSC has been well studied in the RL literature, far less is known about the performance of LLM agents despite their increasing deployment in such settings. Existing work on LLM coordination often relies on specialised scaffolding that independently developed agents are unlikely to share in practice. Moreover, evaluations on complex environments (e.g., Hanabi) make it difficult to pinpoint the sources of coordination failure. In contrast, we focus on simple, general-purpose scaffolds in minimal environments designed to isolate specific coordination challenges. Our results show that even in these controlled settings, frontier LLM agents struggle to coordinate, largely due to limited understanding of the coordination problem and weak reasoning about their partner's beliefs. While LLMs introduce semantic information as an additional axis for coordination, they nonetheless fail to exploit this structure effectively. Towards this, we propose Coordination-friendly definitions (CFDs) as a principled approach for enabling robust coordination among LLM agents. Finally, we show that CFDs can be discovered automatically, removing the need for manual engineering. Code is available at https://github.com/ahayler/zsc-llm-agents.

cs.LG · cs.AI

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arXiv ↗PDF ↗
版本更新 · v4arXiv:2601.15500

Low-Dimensional Adaptation of Rectified Flow: A Diffusion and Stochastic Localization Perspective

Saptarshi Roy, Alessandro Rinaldo, Purnamrita Sarkar

原文摘要

In recent years, Rectified flow (RF) has gained considerable popularity largely due to its generation efficiency and state-of-the-art performance. In this paper, we investigate how well RF automatically adapts to the intrinsic low dimensionality of the support of the target distribution to accelerate sampling. We show that, using a carefully designed \blue{end-point adapted} time-discretization scheme and with sufficiently accurate drift estimates, the RF sampler enjoys an iteration complexity of order $O(k/\varepsilon)$ (up to log factors), where $\varepsilon$ is the precision in total variation distance and $k$ is the intrinsic dimension of the target distribution. In addition, we show that the denoising diffusion probabilistic model (DDPM) procedure is equivalent to a stochastic version of RF by establishing a novel connection between these processes and stochastic localization. Building on this connection, we further design a stochastic RF sampler that also adapts to the low-dimensionality of the target distribution under mild requirements on the accuracy of the drift estimates, and also with a specific time schedule. We illustrate the efficacy of newly designed time-discretization schedules with simulations on the synthetic data and text-to-image (T2I) data experiments.

stat.ML · cs.AI · cs.LG · math.ST

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arXiv ↗PDF ↗
版本更新 · v2arXiv:2512.17281

LibriVAD: A Scalable Open Dataset with Deep Learning Benchmarks for Robust Voice Activity Detection

Ioannis Stylianou, Achintya kr. Sarkar, Nauman Dawalatabad, James Glass, Zheng-Hua Tan

原文摘要

Robust Voice Activity Detection (VAD) remains a challenging task, especially under noisy, diverse, and unseen acoustic conditions. Beyond algorithmic development, a key limitation in advancing VAD research is the lack of large-scale, systematically controlled, and publicly available datasets. To address this, we introduce \textbf{LibriVAD} -- a scalable open-source dataset derived from LibriSpeech and augmented with diverse real-world and synthetic noise sources. LibriVAD enables systematic control over speech-to-noise ratio, silence-to-speech ratio (SSR), and noise diversity, and is released in three sizes (15 GB, 150 GB, and 1.5 TB) with two variants (LibriVAD-NonConcat and LibriVAD-Concat) to support different experimental setups. We benchmark multiple feature-model combinations, including waveform, Mel-Frequency Cepstral Coefficients (MFCC), and Gammatone filter bank cepstral coefficients, and introduce the Vision Transformer (ViT) architecture for VAD. Our experiments show that ViT with MFCC features consistently outperforms established VAD models such as boosted deep neural network and convolutional long short-term memory deep neural network across seen, unseen, and out-of-distribution (OOD) conditions, including evaluation on the real-world VOiCES dataset. We further analyze the impact of dataset size and SSR on model generalization. Experimental results show that scaling the dataset size from small-scale to medium- or large-scale noticeably and consistently improves VAD performance under OOD conditions, while appropriately balancing SSR enhances OOD performance in the small-scale setting. All datasets, trained models, and code are publicly available to foster reproducibility and accelerate progress in VAD research.

cs.SD · cs.LG

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arXiv ↗PDF ↗
新论文 · v1arXiv:2610.37656

Attention as Lattice Gauge Theory: Relations Interact Only Through Wilson Loops

Aakash Sarkar, Ananya Mukherjee, Motoshige Sato

原文摘要

Relations compose through the entity they share - Alice is Bob's mother and Bob is Carol's father, so Alice is Carol's grandmother - and the order matters, since a father's mother is not a mother's father; verifying a composed relation means closing the loop. We show that if each entity's coordinate frame may be rotated independently (per-entity frame freedom), three things follow. In the pure-gauge sector, relations that share no cycle cannot interact at all. The only gauge-invariant score of a triangle is a class function of its holonomy $H = T_{ij} T_{jk} T_{ki}$ - a Wilson loop. And the only equivariant update of an edge is $U = Ψ(H)\, T_{ij}$ with $Ψ$ conjugation-equivariant. Edge attention by Wilson loops is therefore not one design among many but the unique form the symmetry permits. Three communities hold pieces of this form: the commuting-operator embeddings of knowledge graphs are its abelian (commuting) sector; AlphaFold's triangle update and the Edge Transformer have its shape - an edge updated through the third vertex - without its constraints; and lattice QCD builds it equivariantly on lattices. We instantiate the equivariant sub-family on general relational graphs as holonomy attention. With no training and composition alone, it infers unobserved $S_4$ relations on sparse graphs at 0.88 with a fifth of the edges corrupted, at or slightly below specialist synchronization algorithms, where every commutative architecture is capped at 0.083; its holonomy score flags corrupted triangles at AUC 0.99 where commuting scores are capped at 0.76 by a second selection rule, and it separates clusters without labels.

cs.LG · cs.AI

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arXiv ↗PDF ↗
新论文 · v1arXiv:2610.37022

Crop Yield Prediction Using Regression Models: A Comparative Evaluation of Model Performance

Saptak Das, Arijit Sarkar, Soumik Neogi, Suborno Naskar

原文摘要

Reliable crop-yield prediction can support agricultural planning and resource allocation. This study evaluates five regression models for predicting crop yield from environmental, crop-related, and agricultural management variables. The dataset initially contained 1,000,000 observations and ten variables, with 231 observations having negative target values removed during preprocessing. Categorical variables were represented using one-hot encoding, and Boolean variables were converted into binary values. The models considered were multiple linear regression (LR), random-forest regression (RF), decision-tree regression (DT), ridge regression, and lasso regression. Their performance was evaluated using 80:20 and 70:30 training-testing splits based on the coefficient of determination (R-squared), mean squared error (MSE), and root mean squared error (RMSE). Applying an 80:20 split, LR achieved a test R-squared of approximately 0.9130 and a test RMSE of 0.5008. Applying a 70:30 split, lasso regression yielded the highest test R-squared (approximately 0.9131) and the lowest test RMSE (approximately 0.5008), with performance almost identical to LR and ridge regression. DT also showed improved test performance under the 70:30 split, whereas RF exhibited a substantial gap between training and testing performance. These results indicate that the evaluated linear regression model provides competitive baselines for this dataset. Further experimentation, including validation testing, will help determine the models' performance and predictability.

cs.LG · cs.AI

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arXiv ↗PDF ↗
新论文 · v1arXiv:2610.36933

Provenance Signatures for Low Rank Adaptations of Image Diffusion Models

Tobias Cheung, Mohan Dantam, Marc Juarez, Rik Sarkar

原文摘要

Diffusion models have revolutionized the generation of realistic artificial images. Efficient techniques such as Low Rank Adaptation (LoRA) can modify these models for particular use cases, making them more diverse and widely usable. At the same time, open base models may be adapted to deliver biased, harmful or illegal images in an online service. In this paper, we develop a protocol to detect when a service may be using an adaptation of an otherwise standard model. We describe the precise setup and threat model for this provenance question and define two different problems arising due the presence of multiple model families and multiple adaptations. In contrast to previous works that have considered model identification within lists of known candidate models, we consider the realistic open world scenario where the set of possible adaptations and alternative models are unknown. Using a hypothesis testing approach, our protocols can distinguish between the base model, a LoRA adaptation and other completely different families of models. For this test, we develop a black box signature of the models based only on intrinsic dimension of sets of images generated by the models.

cs.LG

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arXiv ↗PDF ↗
新论文 · v1arXiv:2610.34945

Relational Composition as Parallel Transport: What Per-Entity Frames Force in Attention

Aakash Sarkar, Ananya Mukherjee, Motoshige Sato

原文摘要

A dot product means something only when both vectors share a coordinate system. Content words have one; a fresh entity does not: rotating its coordinates alone changes nothing. We take this per-entity frame freedom as a symmetry and ask what it forces in attention. For orthogonal transports, invariant scores depend only on norms and the transported inner product $\langle x_i,T_{ij}x_j\rangle$; equivariant messages lie in the span of $x_i$ and $T_{ij}x_j$. Endpoint channel count bounds transport rank, so with one vector per entity relations must be supplied; standard attention is the flat sector of a shared frame. Representation theory attaches an integer to each mechanism; the readout decides which. With orthogonal transitions, a convex-cell readout composes a finite group exactly only at or above its smallest faithful real representation dimension. At this minimum, exactness forces a faithful representation. An even readout can decode a cover at smaller width, and the gap is unbounded. Below its threshold, the part of the group a mechanism cannot see sets an accuracy ceiling computable before training. 17/17 fitting seeds at minimal width passed tests through length 1000, versus 7/18 at twice the width; 12 models carry correctness certificates to explicit lengths, from the weights alone. On $C_3\times A_4$ (faithful width 5), descent at width 4 learned the 72-state double cover under sign-blind attention (6/48 seeds; monotone 0/48); on a frozen cover the cross-entropy-optimal affine head is uniform, a quadratic head exact. On parsed CLUTRR, transported composition beats a matched transformer by 41 points at 4-10 hops, but forcing isometries costs 65 points; on StepGame's commutative algebra, isometries help. Static embeddings gave each word one vector; contextual models gave each occurrence its own; per-entity frames make each relation an operator, the unit in which relations compose.

cs.LG · cs.AI · cs.FL

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arXiv ↗PDF ↗