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Computer Science Machine Learning

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Wednesday 2 September

Machine Learning

Cliff: Learning Process Rewards from the First Mistake

Reinforcement learning with verifiable rewards (RLVR) has emerged as a powerful paradigm for large language model (LLM) post-training, but its reliance on coarse outcome rewards leads to limited guidance on intermediate reasoning processes. Existing approaches such as process reward modeling and on-policy distillation introduce additional constraints, such as reliance on a specialized reward model or assuming identical reasoning patterns between teacher and student. Nevertheless, we observe that once a reasoning process first goes wrong, evaluating the subsequent reasoning provides limited additional information, as it is already conditioned on an invalid prefix. Therefore, we propose Cliff, a reward shaping strategy that utilizes an off-the-shelf LLM as a teacher to identify the first mistake in each rollout. As a result, the rollout is naturally decomposed into two parts: a correct prefix and an incorrect suffix. Cliff then converts this signal into token-level advantages, assigning positive advantages for the correct prefix and negative feedback afterward. Experiments across 12 different scenarios demonstrate that Cliff consistently improves reasoning performance, outperforming on-policy distillation by 15% and standard GRPO by 7%, even with teachers of modest capability. Furthermore, we analyse the role of “ground truth” in Cliff and investigate its training dynamics. These results establish Cliff as a simple, general and effective approach for improving RLVR with richer, fine-grained supervision.
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All authors Peixuan Han, Runhui Wang, Ketan Ramaneti, Jie Hao, Gerald Friedland, Chris Kong

Machine Learning · Cross-listed from econ.GN

Dutch Books for Language Models

People increasingly use language models to support life decisions. Many such decisions involve a probabilistic forecast: How likely is a major life event, a natural disaster, or an economic outcome? Users of language models may implicitly trust that these forecasts fall out of a coherent world model. In this paper, we evaluate the coherence of language model probabilistic forecasts through a procedure that builds on a theorem due to de Finetti. We elicit forecasts from language models across events generated from stock returns data. We then use linear programs to compute the largest Dutch-book profit - the profit an arbitrageur could guarantee by betting against model-generated probabilities - which we use as a measure of incoherence. Our procedure does not require outcome labels, so we can evaluate coherence even in settings where outcomes are not observed or have not yet resolved. We find substantial evidence of incoherence in language model forecasts. Such incoherence increases when there are richer logical relationships between events, and irrelevant contextual details can increase incoherence by an order of magnitude. We conclude by discussing how alternative training strategies may improve probabilistic coherence.
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Machine Learning · Cross-listed from stat.ML

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

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

CodePoisonRAG: Knowledge Poisoning Attacks on Retrieval-Augmented Code Generation

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

From Reweighting to Rewriting: Unlocking the Intervention Effects of Influential Samples in Training Data Attribution

Training data attribution (TDA) aims to identify training examples that shape model behavior, but its intervention value depends on both which examples are selected and how they are modified. Influence functions (IF) estimate behavioral changes under infinitesimal reweighting, yet IF-selected examples often show limited advantages over random selection under conventional weight-based interventions. This raises the question of whether influential examples lack intervention value or whether reweighting fails to realize their behavioral leverage.We introduce influence-guided response rewriting, which uses IF to identify intervention targets and replaces their responses with behavior-aligned or behavior-opposed supervision while keeping instructions fixed. Across four open-weight LLMs, we compare rewriting and reweighting on the same influence-selected examples using epistemic abstention as our primary testbed. Response rewriting produces stronger, more persistent, and bidirectional behavioral shifts, while reweighting the same examples yields weak and inconsistent effects. Further analyses show that influence-selected examples provide greater rewriting leverage than alternative selectors, with changes remaining concentrated on target-relevant behaviors. The same qualitative contrast extends to safety refusal. These results distinguish the local reweighting effects captured by influence estimates from the broader intervention leverage of the examples they identify, motivating intervention-aware evaluation of TDA methods.
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All authors Yuzhang Luo, Chenpeng Wang, Jianhui Chen, Liangming Pan

Machine Learning

Do Tabular Foundation Models Know Physics? Contamination, Units, and the Deterministic Limit

Tabular foundation models (TFMs) learn to fill in tables the way language models fill in text — and tables are arguably the format in which most physical measurement arrives. Did they learn any physics in the process? They are Bayesian by construction, so the question is what their prior contains. We probe it directly, evaluating four of them ($\texttt{TabPFN-3}$, $\texttt{TabICLv2}$, $\texttt{TabDPT}$ and $\texttt{Real-TabPFN-2.5}$) against six baselines on datasets sampled from 316 physical equations, in and out of domain. TFMs dominate, out of the box and after tuning. But they struggle to represent noiseless deterministic mechanisms in their uncertainty, and show no sign of exploiting physical units: they interpolate physics without yet being able to act as physical models.
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All authors Wassim Tenachi, Yashar Hezaveh, Laurence Perreault Levasseur, Pierre-Luc Bacon

Machine Learning · Cross-listed from cs.CL

Untangling the Mechanisms of Misleading Context in Medical Question Answering

Large language models now answer medical questions with expert-level performance. However, the context these systems act on can be misleading, and misleading context can corrupt a model's medical judgment. To understand how misleading context corrupts this judgment, we examine the model's susceptibility to the context, disclosure of it, mechanism of corrupted reasoning, and monitorability of the decision. On the medical reasoning subset of MedMisBench, a clinician-reviewed question-answering benchmark of 8,627 questions, we inject two types of misleading context cues, fabricated evidence and a bare assertion. We test three reasoning models, two that expose their full reasoning trace and one frontier model that exposes only its response. All three are more susceptible to the assertion than to the fabricated evidence, adopting the asserted answer 10 to 27 points more often. The misleading cues are disclosed in 81 to 98% of traces but only 7 to 90% of responses, and the assertion is disclosed less often than evidence based cues. Resampling from reasoning traces without disclosure shows the two cues corrupt reasoning differently, evidence entering early and accumulating while the assertion redirects the conclusion near its end. An LLM monitor catches 78% of corrupted decisions at 5% false positives when reading an open model's trace with guidance, against at most 32% from any response. The misleading context that models are most susceptible to is disclosed least, and was caught reliably only from an open reasoning trace, which frontier providers withhold.
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Machine Learning · Cross-listed from physics.chem-ph

HiPoly: a hierarchical polymer-native AI framework for property prediction and generative design

Polymeric materials are central to modern technologies, with applications ranging from energy to health and transportation. Although AI has made significant advances in materials discovery, the hierarchical structure of polymers across multiple length scales makes them inherently difficult to represent in a unified and physically meaningful way. Here we introduce HiPoly, a polymer-native AI framework that processes complete polymer descriptions through a three-level hierarchical graph architecture built on the G2RINS representation. HiPoly encodes stochastic inter-monomer connectivity, composition, and molecular weight directly within its architecture, using physically motivated design principles that mirror the multi-scale nature of polymeric systems. The framework establishes an end-to-end AI-driven workflow from experimental formulation data to property prediction, generative molecular design, and physics-based validation through molecular simulations, all unified by a single polymer representation. We demonstrate state-of-the-art prediction accuracy for thermophysical properties of multi-component polymer systems, with ablation studies confirming that each hierarchical design choice contributes independently to model performance. As an example, the generative design pathway is applied here to the discovery of sustainable alternatives to persistent fluorinated polymers, where it is possible to identify and independently validate PFAS-free candidates with target surface-energy properties. This work demonstrates how polymer-native AI can accelerate discovery by linking representation, prediction, and design across complex polymer chemistries.
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All authors Ge Sun, Gervasio Zaldivar, Yuan Tian, Gustavo Perez Lemus, Juhae Park, Daryna Safarian, Ming Han, Juan J. de Pablo

Machine Learning · Cross-listed from cs.CR

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

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

Language Models Can Control Their Own Attention

Language models spend most of their attention on a small fraction of context, yet they read the entire KV cache to find the few tokens that matter. If the user asks about a previous detail in a 1M-token conversation, global attention layers must scan the full context to generate each token of the reply. A prominent approach pre-selects relevant tokens via lightweight proxy scores, but this extrinsic scoring still incurs O(N) per step. We take an intrinsic approach motivated by the simple question: wouldn't the model already know which parts of the context are relevant? We introduce Declarative Attention (DA), a protocol that elicits the model to declare where it needs to attend within its chain-of-thought, partitioning generation into three modes: <global> (full context), <focus> (a specific region), and <local> (recent output only). The inference engine parses these declarations like tool calls and skips most of the KV cache read. Under zero-shot evaluation across 15 long-context tasks, DA on off-the-shelf models (Gemma-4-31B, Qwen-3.6-27B) reduces total attended tokens per response (45.8%, 19.6%), despite extra decoding steps, with modest accuracy drops (1.40pp, 2.10pp) that shrink with model scale. DA unlocks a new axis of sparse attention, with further potential under training-based methods. Code is available at https://github.com/itsnamgyu/declarative-attention.
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All authors Namgyu Ho, Huzama Ahmad, Woosung Koh, Se-Young Yun, Tal Schuster, Cicero Nogueira dos Santos

Machine Learning

LoRA-TSD: Tangent-Space Spectral Descent for LoRA via Muon-Style Updates

Low-rank adaptation (LoRA) is the standard way to fine-tune large models, yet when its two factors are trained independently, the update ignores the geometry of the low-rank weight change it induces. We introduce LoRA-TSD, an optimizer that treats every LoRA step as a tangent vector of the fixed-rank matrix manifold and takes the spectral-norm steepest-descent step of Muon inside that tangent space, mapping the result back to the factors through a retraction native to the LoRA parametrization. The step avoids expensive operations on full weight matrices, and its retraction is up to $2.8\times$ cheaper than the truncated-SVD retraction used by prior manifold methods. We prove that the Frobenius-norm version of our surrogate recovers LoRA-Pro, and we identify the tangent-projected gradient, the Riemannian gradient of the manifold, as the stationarity measure natural to LoRA training and computable from the factor gradients alone. Under this measure we give the first global convergence guarantees for both LoRA-Pro and LoRA-TSD, with rates that drive the factor-gradient norms to zero. Across six commonsense and natural-language-inference benchmarks with Llama-3.2-1B, Llama-3.1-8B and Qwen3-32B, LoRA-TSD outperforms every competing LoRA optimizer and stays robust to the adapter rank. Code is available at https://github.com/brain-lab-research/LoRA-TSD.
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Machine Learning · Cross-listed from stat.ML

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

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

Machine Learning · Cross-listed from math.NA

Neural operators approximate strongly continuous convex monotone semigroups

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

H3DNAS: Hardware-Aware ONNX-Native 3D Point Cloud Model Compression

Deploying 3D point cloud models on edge hardware such as the NVIDIA Jetson Orin Nano is severely constrained by compute and memory budgets. Existing compression methods require access to the model's original source code, rendering them inapplicable to the Open Neural Network Exchange (ONNX) binaries commonly distributed by vendors and model repositories. We present H3DNAS, a hardware-aware model compression framework that operates directly on ONNX computational graphs without requiring original source code, architecture class definition, or gradient access during search. H3DNAS makes three contributions: (1) a Channel Dependency Graph (CDG) that classifies ONNX operators into four constraint classes and formally establishes that the free parameter fraction $\rho_f$ is topological invariant, a provable compression ceiling computable in $\mathcal{O}(|V|+|E|)$; (2) a Two-Stage Hierarchical Search that prunes candidate architectures by $L_1$-importance channel selection, ranks them by output fidelity as a zero-shot label-free proxy, and applies GhostConv structural mutation to Pareto-optimal candidates; and (3) the first source-code-free compression pipeline for 3D point cloud models, operating entirely via ONNX graph surgery with no original architecture definition required. On ModelNet40, H3DNAS reduces the number of parameters in PointNet, PointNet++, and PointMLP by $65.5\%$, $43.2\%$, and $49.1\%$, respectively, while achieving $1.99\times$, $1.29\times$, and $1.67\times$ inference speedups with negligible loss in accuracy. The source code is publicly available\footnote{https://github.com/ClarityLab-Org/h3dnas}.
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All authors Anchit Mulye, Rhythm Baghel, Sujay Kumar Ingle, Hardik Jain

Machine Learning · Cross-listed from q-fin.PM

Eliciting ESG Preferences for Reinforcement Learning-Based Portfolio Optimization

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

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

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

Machine Learning · Cross-listed from math.PR

Dimension Dependent Correlation Gap Bounds under Restricted Independence

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

Unfolding the Leech Lattice: Fused Multi-Shell Decoding and VRAM Layouts for 2-Bit LLM Weights

Leech-lattice vector quantization holds the strongest reported 2-bit quality under its own evaluation protocol. Its kernel decodes one shell; we found no implementation of the multi-shell decoder the rate requires. This paper supplies one and measures its serving cost for decode-phase GEMV at batch 1. First, a serving path for the full 301-class codebook: an offline expansion into GPU layouts and a fused dequantize-plus-matvec kernel reading them without warp divergence, verified against f64. Second, the in-VRAM rate is a design axis distinct from the on-disk rate. Four bit-exact layouts timed in one process show binary bit planes beating one-hot masks on size and speed at constant bandwidth (4.80 bits per weight, 2.15x FP16). Below 4.3 bits a second, irregular stream enters; at 3.6 the decode stops being shifts and masks. Third, deployed four-bit (AWQ) and two-bit (QTIP) GEMV kernels run in the same process. The trellis kernel reads 2.40x fewer bytes than our served layout and runs 2.27x faster at near-equal fractions of their byte bounds: the time gap tracks the traffic gap, the price of unfolding a codebook too large for a lookup table. Fourth, the validity envelope: the trellis kernel outruns our no-weights control, so our launch geometry sets that floor, and on a second memory hierarchy every lattice arm falls below FP16. With the output head held identical across arms, the kernel-and-format path gains 1.11x, 1.29x and 1.41x end to end at 4B, 8B and 14B; with an int8 output head the served 4B reaches 87.0 tok/s in 2.60 GB. The quality cost, 1.38x perplexity and 14.7 MMLU points at 4B, shrinks across the three sizes measured.
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Machine Learning · Cross-listed from cs.AI

Loom: Weaving Diagnostic Strands into Free-Text Consensus via Embedding-Space Reweighting

Aggregating noisy, conflicting textual hypotheses into a reliable consensus is a fundamental challenge when deploying NLP systems in real-world industrial settings. While monolithic Large Language Model (LLM) agents offer unbounded expressivity for tasks like Root Cause Analysis (RCA), they suffer from context limits, compounding hallucinations, and prohibitive inference latency. Traditional weak supervision offers statistical rigor but is mathematically restricted to discrete classes. We present Loom, a generative consensus framework deployed for real-world RCA that bridges these paradigms. Loom aggregates open-form hypotheses emitted by modular heuristics (diagnostic templates dynamically populated with episode-specific entities, times, and metrics) by projecting them into a continuous embedding space, and resolves conflicting signals with an iterative centroid-based reweighting algorithm. The resulting consensus weights ground a single lightweight LLM synthesis step. Evaluated on the OpenRCA benchmark, Loom occupies the accuracy–efficiency Pareto frontier: it matches a state-of-the-art autonomous agent on Bank and Market-2 and trails on Market-1 and Telecom, while using a single LLM call per incident on all four datasets ($\sim$26$\times$ faster; $\sim$33$\times$ with an 8B-parameter synthesizer). We discuss our deployment experience, highlighting lessons learned regarding the trade-offs between agentic depth and inference latency, negative results in redundancy detection, and how deterministic consensus fosters trust among Subject Matter Experts~(SMEs).
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All authors Ron Begleiter, Katya Egert Berg, Gilad Saban, Gil Shabat

Machine Learning

Differentiable Electricity-Market Clearing for Gradient-Based Planning

Planning a large data center is difficult because a facility big enough to matter changes the electricity prices it will pay. Those prices are set by market clearing, a constrained optimization problem solved anew in every operating condition. However, simulating the market tells a planner how a candidate plan performs but not how to improve it. Here we treat market clearing as a differentiable optimization layer: each forward pass solves the market, and reverse-mode automatic differentiation propagates the planning cost back through the cleared prices to the plan. After validating these gradients against finite differences, we apply them to a concrete problem: allocating 50 MW of data-center load across six candidate buses in two synthetic networks, under a fixed cost per active site, evaluated over 36 operating states. Judged against exhaustive enumeration of all site combinations, gradient optimization recovers the continuous allocations almost exactly, with worst-case objective gaps of 2.3% and 8.5% of the cost difference between the best and worst single site. Its one systematic error is instructive: near the costs at which a site should close, the smooth relaxation of the discrete site count shrinks the site rather than closing it, so discrete transitions arrive late. Differentiable market clearing thus turns market-aware planning into a problem gradients can search.
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Machine Learning · Cross-listed from cs.CL

TaRA: Training-Aware Low-Rank Adaptation Initialization

Low-Rank Adaptation (LoRA) has become a de facto standard for parameter-efficient fine-tuning (PEFT), yet its performance is highly sensitive to initialization due to the information bottleneck imposed by low-rank decomposition. Existing approaches attempt to construct high-quality LoRA initializations by exploiting principal components of pretrained weights, activations, or gradients. However, these methods do not directly account for the training dynamics of the full-rank model. In this paper, we propose Training-aware Low-Rank Adaptation Initialization (TaRA), a method that initializes LoRA such that the gradients induced by the low-rank factors closely approximate the gradient of the corresponding full-rank weight matrix. Derived from a mathematical formulation, TaRA improves gradient fidelity at the start of training while introducing negligible computational overhead. Across diverse and challenging fine-tuning tasks, TaRA consistently outperforms prior state-of-the-art methods, establishing a simple, robust, and scalable solution for effective LoRA initialization.
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Machine Learning

Oracle, will I ever learn? A study of prediction convergence and complementarity across link prediction models

Knowledge graphs have become an important source of structured knowledge for Web applications, including search, question answering, and recommender systems. In these applications, link prediction can serve either as a prediction task itself or as a means to enrich incomplete knowledge graphs for downstream tasks. Interestingly, different link prediction models, or even different training runs of the same model, can produce substantially different predictions for the same query. This suggests a variability in the capture of the underlying knowledge by models, thus raising a fundamental question: to what extent do different models capture complementary knowledge, and how much of this knowledge could be recovered by combining them? We propose to measure model complementarity through the performance of an oracle that, for each query, selects the best prediction among a considered set of models, hence providing an upper bound on the performance achievable through model combination. Across several architectures and benchmarks, we find a substantial gap between individual models and their oracle, revealing that different models capture complementary knowledge. Yet, this complementarity rapidly saturates as more models are added, leaving a persistent subset of queries unsolved even by a large number of models. These findings reveal both the potential of model complementarity and a fundamental limit to what current link prediction models can collectively recover; thereby highlighting the need for further research to build robust Web applications.
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Machine Learning · Cross-listed from cs.SD

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

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

Source Distribution Estimation by Posterior Averaging

Simulation-based science often requires a distribution over simulator parameters whose push-forward reproduces a set of real observations: this is the source distribution estimation (SDE) problem. Existing methods fit the source against a likelihood surrogate trained once from a fixed proposal prior. Their objective is therefore stated only in terms of the surrogate instead of the true simulator, which may fail for inaccurate areas in parameter space where the surrogate was never trained. We instead solve SDE by expectation maximization: an E-step trains an amortized posterior on fresh simulations from the current source estimate, and an M-step refits the source to the average of that posterior over the observed data. We give two parameterizations, (1) separate source and posterior flows and (2) a single shared conditional flow. We evaluate our method on three benchmark tasks under both broad and misspecified initial priors. Both improve on existing fixed surrogate approaches and on iterated variants of each, most clearly on Lotka–Volterra, where no baseline falls below 0.96 data-space C2ST while our methods reach 0.64-0.68 in three of four initial-prior settings.
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Machine Learning · Cross-listed from cs.CR

Learning-Based Reconstruction Attacks on Coordinate-Obfuscated Point Clouds

Volumetric video based on point cloud representations enables immersive virtual and augmented reality applications but introduces significant challenges for efficient and secure content delivery. Prior work proposed a selective coordinate encryption framework for point clouds that encrypts only a subset of coordinates, reducing computational costs while visually degrading unauthorized content. However, it remains unclear whether the remaining unencrypted information is sufficient to enable content reconstruction. In this paper, we evaluate the robustness of selective coordinate encryption against machine learning-based reconstruction attacks. We consider an attacker with access to selectively encrypted point clouds attempting to recover encrypted coordinates without decryption by exploiting spatial and geometric correlations in the unencrypted data. We evaluate PointNet and Random Forest models under two encryption granularities: X, where all $X$ coordinates are encrypted, and 2X, where every second $X$ coordinate is encrypted. Our results show that reconstructing fully encrypted $X$ coordinates remains challenging, whereas the 2X scheme leaks sufficient information through neighboring coordinates to enable accurate reconstruction. These findings demonstrate that the security of selective coordinate encryption depends strongly on encryption granularity.
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Machine Learning

Online Reinforcement Learning in the Met Office Unified Model through Distributed Model-Agent Coupling

Machine-learnt corrections can complement numerical weather prediction provided that they operate stably within an evolving numerical model. In this study, we couple the Met Office (UKMO) Unified Model (UM) with distributed reinforcement-learning agents through rank-local tensors. A column-aware deep deterministic policy gradient (DDPG) actor uses local vertical structure together with full-column context to apply bounded corrections to potential temperature and horizontal wind. During training, we perform ten nudged 6-hr 12-min forecasts, with nudging towards the UKMO operational analysis providing an immediate counterfactual target from which the policy learns. The resulting actor is then frozen and applied to a non-nudged forecast without access to analysis inputs or further weight updates. Relative to a matched non-nudged native forecast at +6 h, the corrected forecast reduces global latitude-weighted MAE by 2.85% for $Z_{500}$, 2.16% for MSLP, 5.16% for $T_{500}$ and 2.27% for $T_{1.5\textrm{m}}$, with an observed 3.57% wall-time overhead compared to native execution. Even though training and inference share the same initialisation, this single-case experiment demonstrates significant promise and feasibility, laying the groundwork for RL-based bias correction and parametrisations within operational systems.
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All authors Pritthijit Nath, Sebastian Schemm, Peter Haynes, Emily Shuckburgh, Mark Webb

Machine Learning

ProbeMatchDTI: Probe-Driven Multi-Scale Biochemical Pattern Matching for Drug-Target Interaction Prediction

Drug-target interaction (DTI) prediction is an important task in AI-driven drug discovery. Although recent biochemical representation learning methods have improved DTI prediction, their passive feature aggregation tends to favor dominant molecular patterns while suppressing weak yet binding-relevant signals, such as functional groups and residue-context patterns, limiting the modeling of multi-scale biochemical correspondences. To address this issue, we propose ProbeMatchDTI, a pattern-probe-driven framework comprising IterProbe and BindingProbe. IterProbe explicitly retains contextual states across refinement depths and uses learnable probes to select them at each position before cross-entity matching, thereby preserving weak biochemical patterns and strengthening associations among functional groups, local motifs, and molecular scaffolds. BindingProbe then characterizes cross-entity drug-protein complementarity at local biochemical-unit and whole-pair levels, jointly modeling fine-grained interactions and multi-scale correspondences while preserving weaker binding-relevant associations. Extensive experiments demonstrate the superiority of ProbeMatchDTI, achieving 2.0% and 0.5% higher AUC-ROC on BindingDB and DrugBank, respectively. Feature-level pattern analyses further characterize its probe-driven behavior in cross-scale biochemical pattern matching. We further connect ProbeMatchDTI predictions with an evidence-guided downstream drug-discovery workflow, demonstrating their utility for candidate refinement and validation planning. Our code is available at https://github.com/developer-hq/ProbeMatchDTI
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All authors Quan Hao, Mengyue Fan, Zifan Dong, Youru Li, Jianduo Zhao, Lechuan Xu, Hao Zhang, Fei Xia, Jigang Wang, Chong Qiu, Liguo Zhang

Machine Learning

Learn from Whoever Is Right: Answer-Verified Multi-Teacher Distillation for Multi-Domain LLMs

Modern large language models (LLMs) rely on reinforcement learning to build strong capabilities in individual domains, but integrating those capabilities into a single deployable model remains challenging. By routing each sample to the teacher whose domain matches it, existing approaches let a domain label decide which teacher provides supervision. However, domain expertise holds only on average: the matched teacher is not always correct on a given sample, while a teacher from another domain sometimes is. The reliable teacher therefore has to be identified per sample, not per domain. In this paper, we introduce Multi-Teacher Self-Distillation Policy Optimization (MT-SDPO), an on-policy distillation method that unifies several frozen teachers into one student model. MT-SDPO consists of three components: (1) self-anchors, where a rollout is supervised by a correct rollout from its own group; (2) answer-verified eligibility, where a teacher may supervise a sample only if its own answer passes a verifier; and (3) privileged distillation, which merges the anchor and all verified feedback into one context that an exponential moving average self-teacher reads and the student does not, thereby keeping one policy at deployment. Across five students from three model families, MT-SDPO lifts the weakest domain of Qwen3-8B by 14.79 points and narrows its domain gap by 74.7%, a better balance than serving one matched teacher per domain. Verified reliability, not domain membership, should decide who teaches. Code is available at https://github.com/hexixiang/MT-SDPO.
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All authors Xixiang He, Xingming Li, Baiqi Wu, Qiyao Sun, Xuanyu Ji, Ao Cheng, Qingyong Hu

Machine Learning

TrajMind: Chaining Role-Specialized LoRAs for Fast-and-Slow Collective Trajectory Anomaly Diagnosis

Diagnosing collective anomalies from urban trajectories is increasingly important for traffic governance, as it reveals what happened, who was involved, and where and when the event occurred. Existing detectors efficiently produce scores or labels, whereas vision–language pipelines provide richer semantics; neither couples verifiable diagnosis with low-latency monitoring. The central challenge is to recognize collective patterns and recover exact event details from the source trajectories without running the full diagnostic pipeline for every monitored window. We therefore separate always-on screening from on-demand diagnosis: screening raises alerts, while diagnosis releases only source-verified what–who–where–when records. We present TrajMind, a fast-and-slow framework that switches three role-specialized LoRA adapters over one frozen vision–language backbone. Its slow path, \textit{TrajMind$_{\text{slow}}$}, chains canvas-based typing, type-conditioned localization over serialized trajectories, and executable verification, yielding structured, evidence-backed diagnoses. Additionally, the fast path, \textit{TrajMind$_{\text{fast}}$}, screens each window in a single text-only pass, delivering efficient structured alerts. Extensive experiments show that, TrajMind$_{\mathrm{slow}}$ outperforms the strongest baselines by at least $15.3$ percentage points in anomaly typing and $13.8$ percentage points in localization. These gains persist under cross-city transfer, and TrajMind$_{\mathrm{fast}}$ reduces latency by $41.1\%$ and maintains binary balanced accuracy of at least $93.5\%$. Together, TrajMind delivers accurate, evidence-backed diagnoses across cities and efficient front-line monitoring.
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All authors Jiahao Wu, Zhenqun Yang, Chen Jason Zhang, Qing Li

Machine Learning

A Comparative Study of Graph Representations for GNN-Based Power Grid Control in L2RPN

Graph construction is a critical but underexamined design choice in deep reinforcement learning for power grid control. We present a controlled experimental comparison of different graph representations, including physical topology, electrical-sensitivity, and hybrid variants for topology control in the Learning to Run a Power Network (L2RPN) environment. Our findings indicate that matching graph complexity to task granularity is more important than maximizing representational richness, and highlight the importance of controlled representation studies at scale.
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