Machine Learning · Cross-listed from cs.AI
Learning Individual Scientific Taste with Privileged Hindsight Distillation
Hanwei Fan, Yanqiao Wang, Yiqi Zhu et al. (+3 more)
Scientific taste shapes which research directions researchers pursue, and it varies across individuals. Existing work evaluates research directions along multiple evaluation criteria or models scientific taste using community feedback signals such as citations and reviews, but neither directly captures how individuals translate assessments under the same criteria into different preferences. We model scientific taste as a researcher-specific mapping from criterion-level assessments in a shared, evidence-grounded evaluation space with proposal-visible evidence, to relative preferences. A population-level mapping learned from retrospective supervision provides a cold start when individual feedback is scarce. We introduce Privileged Hindsight
Distillation (PHD), which uses later-emerging scientific evidence during training to improve proposal-time criterion assessment and the population mapping, while exposing only proposal-visible information at inference. We evaluate our approach primarily in
quantum research, where structured public reviews are largely unavailable, and use pairwise proposal comparison as a direct interface for observing individual taste. With only 15 comparisons per researcher, our method captures sharply different tastes, including opposing preferences over the same research-direction pairs when they trade off across evaluation criteria. In an interactive study, personalized rankings also surface proposals associated with greater subsequent user engagement, connecting learned taste to downstream research exploration.
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All authors Hanwei Fan, Yanqiao Wang, Yiqi Zhu, Xuanyu Lei, Peng Li, Yang Liu
Machine Learning
New Model, Old Habits: Behavior Transfer under Model Swapping in Multi-Session LLM Agents
Youngbin Choi, Sehyun Hwang, Suhyeon Jun et al. (+4 more)
Multi-session
agents can switch between LLMs to balance performance and inference cost. Such switches require transferring a history for continuity, yet their effects on the recipient remain underexplored. Through controlled experiments with multi-session tasks, we uncover behavior transfer: recipients tend to adopt
reasoning and action patterns from the models that generated their histories. This effect is most evident with raw-history transfer but is substantially reduced by summarization. Based on these findings, we propose Direction- and Authorship-aware Summarization of History (DASH) that preserves stronger-model behavior while minimizing weak-to-strong transfer via summarization. Experiments with repeated swaps show that DASH outperforms raw-history transfer and naive summarization baselines. These results suggest that effective multi-model orchestration requires considering not only which model to use, but also which behavioral patterns to carry forward.
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All authors Youngbin Choi, Sehyun Hwang, Suhyeon Jun, Seoyeon Lee, Sunghyun Choi, MoonJeong Park, Dongwoo Kim
Machine Learning
ReGRA: Residual-Gradient Adaptation for Complementary Low-Rank Fine-Tuning
Fanyao Li, Yuxi Liu, Xiaohao Liu et al. (+3 more)
Low-rank adaptation (LoRA) enables parameter-efficient fine-tuning by learning low-rank weight updates. Increasing rank expands adaptation capacity, but does not guarantee that all learned directions improve downstream performance. In a diagnostic experiment with rank-16 LoRA, we show that retaining only the top singular components achieves the best performance, whereas adding further components degrades it. Motivated by this, we propose Residual-Gradient Adaptation (ReGRA), a two-stage method for making more effective use of a fixed rank budget. After the first stage, ReGRA estimates task gradients on a calibration set and removes their projections onto the two-sided subspace induced by the first-stage update. It then aggregates the residual-gradient directions to initialize a second-stage adapter without changing the first-stage update. An orthogonality regularizer encourages the two updates to capture complementary directions. Both updates can be merged into the pretrained weights, incurring no additional inference overhead. Across diverse
benchmark sets, ReGRA achieves stronger performance than alternatives with the same total rank and even matches LoRA adapters with twice the rank. Ablation studies and further analysis support the contribution of its core design choices. Code is available at https://github.com/Fanyao-Li/ReGRA.
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All authors Fanyao Li, Yuxi Liu, Xiaohao Liu, He Chang, Zhaoxin Wang, Zhulin Tao
Machine Learning
Annealed Lévy Diffusion via Gaussian Surrogate Reverse Dynamics
Yuling Jiao, Lican Kang, Jerry Zhijian Yang et al. (+2 more)
Gaussian
diffusion models offer a practical framework for generative modeling. Denoising Lévy Probabilistic Models (DLPM) introduce heavy-tailed perturbations with a fixed tail index throughout denoising. We introduce Annealed Lévy
Diffusion (ALD). ALD varies the stability index $\alpha(t)$ to combine heavy-tailed exploration with Gaussian refinement. Our marginal-first formulation represents stable noise as a scalar Gaussian scale mixture. This formulation enables standard Gaussian noise-prediction training with one additional scale input. We study two sampling processes. ALD-renoise estimates the clean sample and injects fresh marginal noise. ALD-posterior preserves dependence between successive states through an accumulated conditional variance and a Gaussian bridge update. Both samplers reuse the same trained predictor with different scalar inputs. We evaluate ALD on four 2D
benchmarks and an imbalanced nine-mode mixture. We also examine training efficiency and the effects of prediction perturbations on clipped Holtsmark data. Additional experiments evaluate MNIST and CelebA64 generation and CIFAR-10LT augmentation. ALD preserves local geometry on the evaluated light-tailed and
manifold-structured targets.
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All authors Yuling Jiao, Lican Kang, Jerry Zhijian Yang, Cheng Yuan, Ruizhe Zhang
Machine Learning
Function-Space Temporal Self-Distillation for Policy Optimization
Aryan Das, Arnab Bhattacharya and Vinay Kumar Verma
Reinforcement Learning with Verifiable Rewards (RLVR) improves
reasoning in
language models, but scalar outcomes provide coarse supervision over response trajectories. Self-
distillation offers denser
token-level guidance by comparing an unassisted policy with a feedback-informed self-teacher, yet the teacher evolves with the student, creating unstable targets and motivating additional regularization. We introduce Function-Space Policy Optimization (FSPO), a single-policy framework that combines current privileged adaptation with function-space temporal consolidation. FSPO stores sparse historical next-
token distributions as fixed temporal targets, providing temporal separation without maintaining a persistent teacher model. It further introduces privileged disagreement correction to explicitly suppress locally overvalued actions, reliability-adaptive grounding that strengthens reference supervision when self-generated evidence repeatedly fails, and quality and coverage-aware temporal
memory that retains verified behaviors and improves privileged demonstrations. Across
reasoning and tool-use
benchmarks, FSPO achieves the highest average accuracy under a 5-hour training budget, improving over the strongest baseline by approximately 4% points on average while reducing peak
memory from about 70 GB to 56 GB on Olmo3-7B-Instruct.
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Machine Learning
Beyond Distribution Matching: Selective Margin Preservation for Supervised Fine-Tuning
Yuxuan Wang, Guangxiang Zhao, Xinyu Tan et al. (+6 more)
Supervised fine-tuning (SFT) changes logit margins among non-target
tokens at teacher-forced prefixes. Matching a local reference distribution keeps those probabilities and also penalizes margin expansions. We ask whether a soft auxiliary can preserve selected local non-target margin relations without freezing that distribution. We introduce Selective Rank-Preserving SFT (SRP-SFT), a soft margin target: a hinge on reference-scaled lower bounds for pairs from the reference's top-$K$ non-target
tokens, applied at fixed teacher-forced prefixes. The hinge stops once the requested bound is met. We derive the KL cost of violating a margin, characterize the feasible region and its conditional utility, and give a finite-step condition for reducing aggregate violations. In one-epoch experiments on Qwen3-4B-Base and UltraFeedback, this target raises MATH-500 and code-generation scores over CE and LP-SFT at all three training seeds. At seed 1234, MATH-500 pass@1 rises from 49.56% to 54.56% and the four-metric code mean rises from 65.91% to 69.50% relative to LP-SFT. Ranking controls, held-out cache diagnostics, sensitivity sweeps, and six additional backbones show where these score changes appear.
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All authors Yuxuan Wang, Guangxiang Zhao, Xinyu Tan, Yahui Han, Xinxiang Yin, Zhonghai Wu, Xiangzheng Zhang, Lin Sun, Tong Yang
Machine Learning
Enhancing Latent World Models with Associative Memory
Yuwei Sun and Siyu Zhu
World models trained via latent dynamics offer a scalable path for embodied planning, yet existing methods suffer from representational collapse, computational overhead, and limited long-horizon capability. We introduce a
memory-enhanced latent world model that augments JEPA-style prediction with a content-addressable
memory bank. Our approach learns high-level representations directly from observations, operating at multiple temporal scales within a shared latent space, and conditions predictions via adaptive layer normalization. To prevent collapse and ensure effective
memory usage, we design two complementary losses that encourage slot diversity and balanced temporal utilization. Experiments on PushT, Tworoom, Reacher, and OGBCube demonstrate that our method achieves state-of-the-art performance with a lightweight architecture, outperforming conventional latent world models on long-horizon planning tasks.
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Machine Learning · Cross-listed from cs.AI
MCAIR: Monitoring and Correcting Agent Unfaithfulness via Internal Representations
Yan Xu, Dandan Song, Luan Zhang et al. (+8 more)
Large
Language Model (LLM)-based
agents have demonstrated remarkable capabilities in completing complex tasks through multi-step
reasoning and tool interactions. However, recent studies have revealed that LLM-based
agents can exhibit unfaithful behaviors, where their final reports fail to faithfully reflect their actual execution trajectories. Specifically, when
agents fail to accomplish tasks through the intended sources or procedures, they may resort to alternative sources or strategies while failing to disclose such deviations, leading users to incorrectly believe that the tasks have been completed according to the original requirements. We refer to this specific form of
agent unfaithfulness as
Agent Completion Unfaithfulness. Detecting and mitigating
agent completion unfaithfulness is critical yet remains largely unexplored. In this work, we propose MCAIR, a runtime monitoring and correction framework that leverages internal representations of LLM-based
agents. MCAIR uses multi-step internal representations as inputs to train a risk-aware probe, enabling online detection of potential completion unfaithfulness during execution. Furthermore, MCAIR introduces a risk-guided correction loop that
prompts agents to review their execution history and mitigate potential inconsistencies between their execution trajectories and final reports. Additionally, we construct ACUD, a
dataset for
Agent Completion Unfaithfulness detection that provides step-level execution traces, step-level internal representations, and consistency annotations for training and evaluating runtime detection probes. Experiments demonstrate that MCAIR outperforms LLM-as-a-judge baselines, generalizes across
prompts and tasks, and effectively reduces
agent completion unfaithfulness.
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All authors Yan Xu, Dandan Song, Luan Zhang, Jun Yang, Ke Duan, Yuhang Tian, Yading Li, Xudong Li, Xing Pei, Guangyuan Feng, Chenhao Li
Machine Learning · Cross-listed from cs.CL
HACHIMI-II: From Role-Play to Learner Behavior Modeling for Faithful Student Simulation
Yilin Jiang, Fei Tan, Xuanyu Yin et al. (+2 more)
Simulated students let researchers test tutoring systems and teaching strategies before real learners are available, but only if the simulation reproduces where a particular learner succeeds and fails. The common approach asks a large
language model to role-play a student, but a role does not model what this learner knows or will do next, so the model's own competence fills the gap. Simulated students perform at a level set by the model, differ little from one another, and seldom make the real learners' errors. We model the learner's behavior and recast student simulation as third-person prediction of the learner's next action. HACHIMI-II builds a student model from the learner's history, infers the learner's state for the current item or tutor turn, and compiles it into a behavior harness that constrains the next action. On three item-response
datasets, the Wasserstein-1 distance between simulated and real student ability is 2.4–8.4$\times$ smaller than that of the strongest baseline. On two dialogue
datasets, HACHIMI-II reproduces real student errors with the same knowledge type, locus, and mechanism 1.8–5.1$\times$ more often than the strongest baseline, and ablations trace the gains mainly to the explicit learner state. Predicting the learner makes capable models usable as simulated students.
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All authors Yilin Jiang, Fei Tan, Xuanyu Yin, Jing Leng, Aimin Zhou
Machine Learning
On Global Joint Lower Bounds in Zeroth-Order Nonconvex Optimization
Yuxuan Xia and Xiao-Tong Yuan
Recent work has sought to transfer first-order nonconvex optimization guarantees to zeroth-order methods through gradient
estimators, typically incurring a factor linear in $d$. \citet{kornowski2024} obtained an $\mathcal{O}(d\delta^{-1}\epsilon^{-3})$ oracle complexity for nonsmooth nonconvex optimization and asked whether its dependence on all three parameters is jointly optimal. Although the dimension dependence and the first-order dependence on $(\delta,\epsilon)$ are separately known to be unavoidable, a matching zeroth-order lower bound has remained open. We answer this question in the unrestricted full-space setting. For smooth
stochastic nonconvex optimization, we establish a scalar-oracle lower bound of $\Omega\!\left(dL_0^2\min\{\Delta H,L_0^2\}/\epsilon^4\right)$ assuming a smooth, globally lower-bounded population objective and a second-moment bound on sample Lipschitz constants. A smooth reduction then yields a lower bound for Goldstein stationarity, proving the joint minimax optimality of the dependence on $(d,\delta,\epsilon)$ under explicit high-dimensional and small-accuracy conditions. Crucially, our results allow
algorithms to query arbitrary points in $\mathbb{R}^d$, adaptively select sample-function labels, reuse the same sampled function at any number of locations, and output points without spatial restrictions. Thus, unlike lower bounds based on bounded query regions or fresh evaluation noise, our guarantees apply to a fully adaptive, reusable-sample scalar oracle. We also establish a separate noiseless exact-value lower bound against randomized
algorithms, and hence also against deterministic methods. Our proof combines a globally defined sequential nonconvex construction with an exact Gaussian scalar channel, multistage random-field estimates, and an antithetic finite-sample realization that preserves information hardness under adaptive reuse.
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Machine Learning · Cross-listed from cs.AI
Model What Matters: Decision-Guided Selective World Modeling for Language Agents
Maolin Ran, Minda Chen, Di Huang et al. (+3 more)
Reinforcement learning provides a direct mechanism for optimizing task objectives in large
language model-driven
agents, but task rewards are typically sparse trajectory-level signals that only evaluate task success, without directly supervising action-conditioned environment transitions, leaving the model with limited explicit understanding of action consequences and environment dynamics. Recent work introduces auxiliary supervision through policy and world modeling co-training, yet typically treats complete environmental observations uniformly as world modeling targets, overlooking the varying decision relevance of observation content. We propose DGS-WM (Decision-Guided Selective World Modeling), a decision-guided policy-world modeling co-training approach for
language agents. DGS-WM employs a Decision-Guided Observation Selection component that filters observation units with decision value as world modeling targets based on their support for subsequent policy responses, and a Confidence-Adaptive Weighting component that adaptively adjusts supervision strength according to the model's prediction confidence on selected targets. Together, these components form a decision-aware auxiliary world modeling loss, jointly optimized with the RL loss on the same policy model. Across multiple
benchmarks covering single-hop/multi-hop question answering and interactive web tasks, DGS-WM achieves consistent improvements under different model scales and RL
algorithms, demonstrating more stable and effective performance compared to full-observation world modeling methods.
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All authors Maolin Ran, Minda Chen, Di Huang, Wei Xiong, Fei Huang, Weiwen Liu
Machine Learning
Synthetic reaction data from transformation rules for graph-to-sequence pretraining in biodegradation pathway prediction
Irsyaad Rijwan, Liam Brydon, Aidan Jared et al. (+1 more)
The scarcity of observed biodegradation reactions constrains the training of product and pathway predictors. We present enviGraph, a framework that generates and curates synthetic reaction data, uses these data to pretrain a graph-to-sequence predictor, and fine-tunes the predictor on observed environmental reactions for product and recursive pathway prediction. Applying inherited environmental transformation rules to structures from PubChem, NORMAN SusDat and EPA DSSTox, followed by curation, produces 776,851 canonical parent-product pairs for pretraining. We compare this
dataset with three United States Patent and Trademark Office (USPTO) reaction
datasets: USPTO-50K, USPTO-MIT and USPTO-Stereo. We evaluate enviGraph and the sequence-based enviFormer using ten folds split by pathway on the EAWAG Biocatalysis/Biodegradation Database (BBD), regulatory pesticide biodegradation data (Soil) and activated-sludge biodegradation data (Sludge). For both predictors, synthetic pretraining gives the highest BBD mean precision-recall area under the curve (PR-AUC) among the evaluated pretraining
datasets for single-generation and multi-generation prediction. enviGraph achieves BBD single-generation PR-AUC of $0.202 \pm 0.050$ with synthetic pretraining, compared with $0.169 \pm 0.065$ for the retrospectively selected strongest USPTO condition, USPTO-Stereo (mean $\pm$ sample standard deviation across folds). Its exact BBD top-1 and top-5 accuracies with synthetic pretraining are 0.355 and 0.594. The strongest USPTO conditions give higher PR-AUC means than synthetic pretraining in most Soil and Sludge comparisons. enviGraph has higher Soil multi-generation PR-AUC means than enviFormer under each of the four main pretraining
datasets, and with synthetic pretraining it also leads enviFormer on BBD single-generation PR-AUC and exact top-1 and top-5 accuracy.
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All authors Irsyaad Rijwan, Liam Brydon, Aidan Jared, Jörg Simon Wicker
Machine Learning
Sparse Autoencoders Are a Shared Coordinate System for Symbolic Matching
Xiaocong Yang, Xuanyu Meng, Yuji Zhang et al. (+2 more)
Large
language models (LLMs) hold broad knowledge in one set of weights, but lack interpretability and trustworthy
reasoning, especially in high-stakes use cases. A neuro-symbolic model, with its interpretable architecture and System 2
reasoning capacity, is a promising alternative if built at the scale of LLMs; however, its symbolic backbone is usually constructed with human effort, so existing neuro-symbolic models are bottlenecked by the scope of the symbol component and usually domain-specific. A data-driven method could instead build a larger symbolic system by aligning and merging existing ones. We target its first, foundational step: matching units across these heterogeneous systems. Our method, SAE-IDF, encodes a symbol in its native context into a sparse code with a sparse autoencoder (SAE), re-weights each dimension by its rarity and matches across systems. On 12 tasks across 6 kinds of symbolic system, SAE-IDF outperforms the same LLM's dense baseline on all tasks with Gemma-2-9B and all but one with Llama-3.1-8B, by up to 45 points, consistently across SAE layers and configurations. SAE-IDF is also interpretable: every dimension of the sparse code has a human-readable meaning, so each match decomposes into named concepts (features). Our work paves the way to a universal symbolic backbone.
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All authors Xiaocong Yang, Xuanyu Meng, Yuji Zhang, Jiawei Han, ChengXiang Zhai
Machine Learning · Cross-listed from stat.ML
Risk-Controlled DFT Selection for Machine-Learned Interatomic Potentials
Kun Ryu, Yeo Jin Jung, Shyue Ping Ong et al. (+2 more)
Automated materials discovery requires evaluating large pools of candidate configurations, with density functional theory (DFT) as a major throughput bottleneck. Pretrained machine-learned interatomic potentials (MLIPs) approximate DFT cheaply, but their errors vary by orders of magnitude across configurations, making it difficult to decide when to trust the MLIP predictions and when to fall back to DFT. We frame this decision as a risk-controlled selection problem and solve it within a conformal risk control (CRC) framework. Each configuration is mapped from atomic numbers and Cartesian coordinates to a fixed
geometric descriptor, which a lightweight predictor uses to estimate an MLIP-DFT disagreement score in energy, average force, and maximum force. CRC then calibrates this score into a selection threshold for DFT labeling such that the MLIP error on the unselected configurations, which keep their MLIP labels, stays below a user-chosen fraction $\alpha$ of the expected error. Under an identical guarantee across eight
dataset-MLIP pairs, our predictor routes 7% and 14% fewer configurations to DFT at $\alpha=0.3$ than committee baselines. Because committee disagreement overlooks errors the MLIPs share, our gains are largest when the DFT labels and MLIP training data differ in DFT functional and basis set, and narrow when the two agree. Without model access, the structure-only predictor also ranks errors as well as the target MLIP's latent representation and outperforms widely used descriptors such as Smooth Overlap of Atomic Positions (SOAP) and Atom-Centered
Symmetry Functions (ACSF).
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All authors Kun Ryu, Yeo Jin Jung, Shyue Ping Ong, Claire Donnat, Ying Shirley Meng
Machine Learning · Cross-listed from cs.CV
Self-Conditioning Enables Deep Sequential Reasoning in Flow Matching
Zeyang Zhang, Linxiang Gao, Meiqi Gu et al. (+4 more)
Recent work has explored visual
reasoning through image generation, where models solve visual-
reasoning problems by directly generating solution images. Intuitively, iterative samplers such as flow matching are well suited to this task, since each sampling step may resemble one
reasoning step. However, in this work, from a
circuit complexity perspective, we show that this intuition is misleading. We prove that as long as the model outputs satisfy certain mild regularity conditions, the trajectory of the vanilla flow-matching sampler can be simulated by a constant number of sequential rounds of parallel model evaluations. Consequently, additional sampling steps cannot increase the expressive power of a constant-depth backbone model under the standard complexity-theoretic model of
transformers. We then reveal that self-conditioning, which conditions the model on the previous step's estimate of the final image, plays a previously unrecognized role in removing this bottleneck. Controlled experiments on diverse visual-
reasoning tasks show that flow matching with self-conditioning achieves higher accuracy and greater
reasoning depth than vanilla flow matching, and its performance improves with more sampling steps. Theoretically, we prove that with self-conditioning, a constant-depth backbone can achieve expressive power equivalent to that of space-bounded Turing machines. Our study suggests a design principle for future visual
reasoning research: carry more information between sampling steps, so that additional steps translate into deeper
reasoning.
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All authors Zeyang Zhang, Linxiang Gao, Meiqi Gu, Xingyan Chen, Minrui Luo, Kaifeng Lyu, Tianxing He
Machine Learning · Cross-listed from cs.CL
DAGFormer: Global Topology Prediction for Transformer Cross-Layer Connections
Xiaocong Yang, Yuren Hao and ChengXiang Zhai
We propose DAGFormer, a
Transformer language model whose cross-layer connections are planned by a jointly trained
topology predictor. Beyond the residual connections in a standard
Transformer, DAGFormer adds direct connections from earlier layers to later ones, and the predictor controls the strength of every connection based on input
tokens. Unlike existing cross-layer routing architectures, which set each layer's connections separately, DAGFormer plans the routing of the whole model at once. On matched OLMo-2 pairs from 75M to 1B parameters, DAGFormer lowers WikiText-2 perplexity by 17% to 25% over the vanilla
Transformer, and a 1B DAGFormer trained on 5B
tokens outperforms the vanilla model trained on 10B. Against four routing baselines with the same data and budget, it reaches the lowest perplexity at 75M, 300M and 1B. The gain carries over to 13 commonsense, science, reading and math evaluation tasks (2.0 to 2.5 points higher mean accuracy at 300M and 1B) and to instruction finetuning (63% to 70% AlpacaEval win rate against the vanilla
Transformer, leading every routing baseline), and under structured
pruning DAGFormer degrades the least in five of six settings.
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Machine Learning
Divergent Paths: Learning an Outcome-Predictive Representation of LLM Agent Trajectories
Alexander Gill, Guram Gogia and Francisco Guzmán
In this work, we reframe agentic trajectories as paths through a shared
embedding space of actions and environmental observations. We show that successful and failed rollouts of the same task separate in this space, with simple per-task discriminators predicting held-out rollout outcomes at up to 0.95 AUROC across three
agent benchmarks and three policy models. To exploit this signal across tasks, we introduce Precog-RM, a
transformer-based model that meta-learns a representation in which outcome prediction can be performed in a few-shot setting. We show that Precog-RM generalizes to unseen tasks and models, and gives confident predictions of trajectory success long before termination. Deployed as an early stopping controller for Group Relative Policy Optimization (GRPO) on Tau2-Bench, Precog-RM cuts training FLOPs by up to 47.3% while maintaining performance comparable to baseline GRPO.
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Machine Learning · Cross-listed from cs.CR
A Graph-Based Analysis of Comparability, Scale, and Attribution in Private Transformer Inference
Souvik Das, Ariful Azad and Nitesh Saxena
Rising
privacy concerns around large
language models have accelerated research in private
Transformer inference (PTI). Synthesizing the empirical claims in this line of research, however, is hindered by multi-dimensional cryptographic progress and inconsistent evaluation contracts. In this work, we systematize the field by constructing an empirical graph of 62 PTI systems, mapping system attributes to node features and evaluation compatibility to edges. A three-tiered analysis of this graph illuminates the state of private inference. Node-level attribution shows that cryptographic progress drives performance gains across most systems, yet always co-occurs with other factors (model fidelity, hardware, cost accounting). Edge-level auditing shows that only 1 of 1891 candidate system pairs is directly comparable under shared assumptions. Finally, graph-level analysis shows that the scaling frontier of private inference has plateaued at 13B parameters and projects the cost of deploying current PTI techniques on production-scale
Transformers. Overall, this graph-based framework equips the community to evaluate PTI claims transparently and channel technical speedups into deployment-scale private inference.
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Machine Learning
PN-Mix: Pair-Norm Guided Mixed-Precision Key Cache Quantization for Efficient Long-Output LLM Inference
Gil Jae Song and Sungjoo Yoo
Long-output inference in large
language models suffers from severe KV cache
memory and bandwidth bottlenecks. While KV cache quantization alleviates this issue, low-bit quantization (e.g., 2-bit) severely degrades model accuracy. Recent mixed-precision key-cache quantization methods mitigate this degradation by allocating higher precision to important key channels, but estimate channel saliency using only key statistics. Through
attention logit perturbation analysis at the RoPE channel-pair level, we show that quantization errors in channel pairs with large query–key pair-norm products contribute significantly to logit variation. Based on this insight, we propose PN-Mix, a mixed-precision key-cache quantization method for RoPE-based decoder-only LLMs, which allocates higher precision to salient channel pairs identified once during the prefill stage and reused throughout decoding. Across standard
reasoning, code-generation, and AIME
benchmarks, PN-Mix with 2.26-bit average precision achieves comparable or better average accuracy than prior mixed-precision methods using 2.32–2.39 bits. Furthermore, in our Pareto sweep, PN-Mix degrades gracefully down to 1.5 bits, whereas the compared baselines exhibit sharper performance drops below 2.25 bits.
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Machine Learning
Beyond Static Positional Encoding: Bayesian Time-aware Attention for Non-Stationary Long-term Time Series Forecasting
Xinjie Lan, Yunbo Mei, Leheng Zhou et al. (+1 more)
Transformers have demonstrated strong performance in long-term time series forecasting (LTSF), yet modeling non-stationary temporal dependencies remains challenging. In this paper, we interpret self-
attention as a
Bayesian posterior over attended positions, combining a content-based prior induced by scaled dot-product similarity with a temporal-evidence likelihood induced by positional encoding. This formulation provides a probabilistic interpretation of how positional encoding shapes the temporal dependencies captured by self-
attention. Building on this perspective, we derive a population-level evidence lower bound (ELBO) that characterizes the role of positional encoding in forecasting weakly stationary time series. Our analysis further highlights a limitation of static positional encoding: when temporal dependence structures vary across input windows, a fixed temporal bias must accommodate heterogeneous dynamics and can therefore be suboptimal for non-stationary forecasting. Motivated by this analysis, we propose
Bayesian Time-aware
Attention (BTA), which employs a mixture-of-experts (MoE) router to adaptively combine temporal kernels and generate input-conditioned, head-specific positional biases. Extensive experiments on standard LTSF
benchmarks demonstrate that BTA consistently improves forecasting performance across multiple
Transformer backbones and achieves competitive overall performance with modest computational overhead and stable training.
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All authors Xinjie Lan, Yunbo Mei, Leheng Zhou, Hao Qi
Machine Learning
InstructPro2: Natural Language and Biological Grounding Guided De Novo Protein Design
Charles Novak, Zhenqiao Song, Chuan Li et al. (+2 more)
The ability to generate
proteins with desired functions is a central goal of computational biology. Although natural
language can express diverse design objectives, existing
protein generation methods often support only narrow tasks or make limited use of biological constraints. We develop InstructPro2 to translate natural-
language design objectives into
protein sequences while incorporating task-specific biological context. A text encoder captures the design instructions, while dedicated ligand and antigen encoders provide biological context to the sequence-generating decoder. For pretraining, we assemble InstructPro2Bench, comprising 205.7 million <function description,
protein> pairs from UniProtKB. We subsequently adapt the model to ligand-binding
protein and antibody design. On functional
protein generation
benchmarks, InstructPro2 outperforms Pinal, the strongest baseline, achieving a functional recovery F1 of 74.8 versus 62.2 and lowering global RMSD from 5.33A to 3.04A. For antibody design, the model obtains a DockQ score of 0.39, while ligand-binding
protein design reaches a docking success rate of 72.6%. These findings highlight how integrating
language-based instructions with biological conditioning can extend
protein generation to distinct design settings.
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All authors Charles Novak, Zhenqiao Song, Chuan Li, Jianwen Xie, Lei Li
Machine Learning · Cross-listed from cs.AI
L3M: A Verifiable Harness and Runtime for Self-Extending and Self-Improving Agents
Carson Eisenach, Robert Joseph George, Vincent Quenneville-Belair et al. (+2 more)
The lasting gains in AI have come from methods that absorb more computation, and
language models already scale computation within a call. Useful work, though, happens across calls: over hours or days, through tools and external systems, among many
agents and the humans they work for, and increasingly through code the
agents write themselves. Whether that work compounds is enabled by the harness around it, and the harness faces a constraint the model does not: of the three participants in such a computation, the human, the model and code, only the human's
attention does not scale, so the computation can grow only if the human is not in every loop. L3M is a runtime built on that premise, written in Lean 4 so that one
language implements the harness, states its invariants, and is the
language agents extend it in. One computation spans humans,
agents, models and code, and all of its state lives in Git: a rich state trajectory – rather than a chat conversation – is an object the runtime can resume, rewind, fork, compare and merge. Waiting, communication, delegation and undo are primitives, not patterns the model reasons through each time. When an
agent works out a procedure, it can write it once as a sealed Lean program whose type is its permission request, and the harness offers it back as a tool – machinery for the model to use. To take the human out of the loop, L3M uses reversibility to decide where that is safe: a tool's review tier follows from how far its effects can be undone, so
agents act freely where the runtime can recover. Because the machinery can change, the properties that make this safe are stated as kernel-checked
theorems about the code that runs. On Terminal-Bench, an untuned L3M reaches about two thirds of its (unsafe) shell-equipped pass rate using only safe (not needing human review) tools.
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All authors Carson Eisenach, Robert Joseph George, Vincent Quenneville-Belair, Kate Gwimm, Dean Foster
Machine Learning · Cross-listed from stat.ML
Projected Wasserstein-Fisher-Rao Flows for Hawkes Background-Intensity Estimation
Isaias Banales and Arturo Jaramillo
We consider the problem of estimating the background intensity of a Hawkes process when the triggering mechanism is known, treating the background as an unknown finite positive measure with a regular density. We propose a likelihood-based variational approach based on the Wasserstein-Fisher-Rao geometry. In this setting, the relevant first variations are naturally distribution-valued and therefore fall outside the classical gradient-flow formulation. We develop a distributional framework for the resulting dynamics and give them a finite-dimensional meaning through projections onto statistical
manifolds. We identify the true background as the unique zero of a limiting generalized gradient and, under suitable stability, compactness, integrability and approximation conditions, establish a conditional consistency
theorem for measurable
estimators satisfying the empirical projected equations on events whose probabilities tend to one. Finally, we specialize the construction to Gaussian-mixture
manifolds and obtain an explicit finite-dimensional scheme.
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Machine Learning · Cross-listed from cs.AI
Who's Behind the Text? Robust Model Authorship Attribution
Minseok Ko, Hyunseok Lee, Woomin Song et al. (+3 more)
As large
language models (LLMs) are increasingly used to generate text, their misuse has become a growing societal problem, with implications for academic misconduct, model
distillation, and cyberattacks. For these reasons, Model Authorship Attribution (MAA), which identifies the source model of a given text, is important for promoting the responsible use of LLMs and improving AI safety. In practice, attribution systems must remain reliable beyond the distributions observed during training. They may encounter texts from unseen domains and writing settings, as well as generations from future versions of model families that were not available when the system was trained. However, existing MAA methods often exhibit substantial performance degradation under such distribution shifts. To address this challenge, we propose Authorship Tracing via Likelihood-based Attribution of Sources (ATLAS), which formulates MAA through source-conditioned text modeling rather than direct source prediction. ATLAS learns how text from each source family is generated and attributes a given text by comparing its likelihood under each learned source condition. We aggregate this likelihood evidence at the
token level with clipping so that no single
token dominates the decision. We further introduce MAABench, a broad MAA
benchmark for evaluating practical OOD settings such as domain and version. Our experiments show that ATLAS consistently outperforms existing baselines across MAABench and OpenTuringBench. In particular, when both the generation domain and the model version change on MAABench, ATLAS achieves 74.27% accuracy, 9.00pp higher than the strongest baseline. Beyond MAA, ATLAS can also help identify
distillation source models by measuring which source model a target LLM most closely resembles. Our extended experiments show that ATLAS recovers the known teacher of every distilled model we evaluate.
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All authors Minseok Ko, Hyunseok Lee, Woomin Song, Beomjun Kim, Jinwoo Shin, Kunwoong Kim
Machine Learning · Cross-listed from cs.IR
Bridging the Topological Divide: Dual-Branch Graph Distillation with Semantic Priors for Robust Cold-Start Recommendation
Yuanfeng Qiu
Graph Collaborative Filtering models have achieved remarkable success in recommendation systems. However, they inherently suffer from a catastrophic representation collapse in strict cold-start scenarios due to the topological isolation of unobserved items. While integrating multi-modal semantic features offers a potential remedy, directly mapping isolated semantic attributes into a globally
topology-driven collaborative space frequently precipitates representation degradation and optimization conflicts. To bridge this fundamental structural divide, we propose DualGCN, an innovative Dual-Branch Graph Knowledge
Distillation Framework. Operating under a decoupled two-stage training paradigm, DualGCN first constructs a robust collaborative teacher network where item representations are anchored by a
topology-smoothed semantic prior, effectively reshaping the latent
manifold. Subsequently, a semantic student branch employs a residual mapping mechanism and a magnitude-agnostic cosine
distillation objective to achieve high-fidelity cross-modal
alignment without disrupting established collaborative signals. Furthermore, we introduce a dynamic norm reconstruction mechanism to rigorously calibrate the physical scales of novel and warm items during global
retrieval. Extensive experiments across three real-world
benchmark datasets demonstrate that DualGCN significantly outperforms state-of-the-art baselines in strict cold-start scenarios while comprehensively preserving recommendation accuracy for highly active items.
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Machine Learning
Learning Across Temporal Graph Representation Silos
Minwoo Yu and Young-guk Ha
Temporal graph data are recorded in different representations, but whether these differences also determine the scope of learned knowledge reuse remains unclear. This study investigates whether predictive structure learned from relational histories can be reused between continuous-time dynamic graphs (CTDGs) and temporal knowledge graphs (TKGs). Bidirectional reuse emerges while retaining distinct input and prediction interfaces and independent vocabularies, and sources with the same representation are not always more useful. Controlled reorganizations of source histories show that the organization contributing to reuse varies across source-target conditions. We show that learned aspects of Relational Dynamics, the predictive structure present in relational histories, can be reused across conventional representation boundaries. Independently pretrained TKG and CTDG learners can also be fused at the score level to improve prediction on a third
dataset without entity or relation-semantic
alignment. Two proofs of concept in recommendation and security detection illustrate that external temporal sources without direct
alignment can also become useful pretraining resources.
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Machine Learning · Cross-listed from stat.ML
On Inherent Privacy of Posterior Sampling: A Unified Rényi-Divergence Framework
Ruyu Zhou and Fang Liu
Differential
Privacy (DP) provides a rigorous framework for quantifying
privacy guarantees. While most methods achieve DP by injecting calibrated random noise, the intrinsic randomness of certain procedures such as sampling can yield DP guarantees “for free”. In this work, we develop a unified Rényi divergence framework to characterize the inherent DP guarantees of sampling from a
Bayesian posterior distribution. We show that the
privacy loss incurred by One-Posterior-Sampling (OPS) is governed by posterior exponential moments of the single-record log-likelihood ratio, and establish explicit DP guarantees under uniformly bounded, sub-Gaussian, or sub-exponential tail regimes. We apply the framework to representative
Bayesian models, including categorical likelihoods with arbitrary priors, Gaussian-Gaussian conjugate pair, generalized linear models from the exponential family and linear regression with Gaussian likelihood, both with Gaussian priors on the regression coefficients. Our results elucidate sample size, model structure, neighboring relations in DP (bounded or unbounded), and how prior if applicable, jointly determine the inherent DP guarantees of OPS. Furthermore, our results recover the existing DP guarantees for OPS as special cases – often with tighter
privacy loss bounds – and substantially broaden the class of
Bayesian models for which the inherent DP guarantees of OPS can be rigorously characterized.
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Machine Learning · Cross-listed from cs.CG
Geometric Kernel Diversity: An Axiomatic Diversity Measure in Euclidean Space
Ditbul Ban, Younghun Roh, Julian Shun et al. (+1 more)
Quantifying the diversity of a set of objects is a fundamental problem in machine learning and statistics. Mironov and Prokhorenkova (2025) recently showed that three axioms-monotonicity, uniqueness, and continuity-are crucial for a reliable diversity measure and that none of the standard metrics in the literature satisfy all three. They also constructed two measures that do satisfy the axioms, but both are NP-hard to compute, leaving open the question of whether efficient axiomatic diversity measures can exist. We study a Euclidean-restricted version of this question. We introduce
Geometric Kernel Diversity (GKD), which associates a radial kernel solid with each point and measures the volume of their union. We show that canonical GKD satisfies all three Mironov-Prokhorenkova axioms on Euclidean-realizable inputs. For canonical GKD, we give exact
polynomial-time
algorithms in dimensions $d \le 3$. In arbitrary dimensions, we give a randomized
algorithm that returns a $(1 \pm \varepsilon)$-approximation with probability at least $1-\delta$ in time $O \left(\frac{nd}{\varepsilon^2}\log\frac{2}{\delta}\right)$ for $n$ points. The axiomatic guarantee applies to exact canonical GKD; the randomized
algorithm approximates this deterministic quantity. We further show that the two diversity measures of Mironov and Prokhorenkova (2025) remain NP-hard on Euclidean-realizable inputs and, unless $\mathrm{NP} = \mathrm{RP}$, admit no FPRAS even on this restricted domain.
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All authors Ditbul Ban, Younghun Roh, Julian Shun, Vihan Lakshman
Machine Learning · Cross-listed from cs.CL
INTACT: Inducing Latent Reasoning on a Frozen Backbone
Kutay Tire, Atula Tejaswi, Haris Vikalo et al. (+1 more)
Latent
reasoning replaces natural-
language chains of thought with compact continuous "soft-
token" representations, reducing the number of intermediate
tokens that must be decoded autoregressively. We use a small external encoder to induce latent
reasoning in a frozen backbone model. The encoder iteratively maps the backbone's hidden states to new latent blocks, constructing a latent
reasoning prefix, after which the frozen model writes its remaining
reasoning and its answer as text. Our method, INTACT, trains this encoder through
distillation to reproduce the effect of written
reasoning steps while keeping the model's behavior close to that of the frozen backbone, and then reinforces it on answer correctness. Across four frozen backbones from 1B to 8B, INTACT improves both GSM8K and average out-of-domain accuracy, including GSM8K gains from 75.8% to 79.3% on Llama-3.2-3B and from 77.6% to 79.7% on Qwen2.5-3B. It also reduces end-to-end latency per problem by 19% on Llama-3.2-3B and outperforms the evaluated latent-
reasoning baselines at the 3B and 8B scales. Beyond the mathematics setting, the same recipe trained on a multi-domain corpus improves the frozen backbone on twelve evaluation
benchmarks spanning mathematics, science, and commonsense, without task-specific adaptation.
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All authors Kutay Tire, Atula Tejaswi, Haris Vikalo, Sujay Sanghavi
Machine Learning
TEX-MEX: Similarity-Guided Temporal Contrastive Learning for Time Series
Aditya Radhakrishnan, Maxwell A. Xu, Wanting Mao et al. (+3 more)
Contrastive learning for time series depends on deciding which pairs of inputs should be treated as similar and dissimilar. Because few augmentations reliably preserve meaning in time series, prior methods have relied on two disjoint notions of similarity between windows: structural similarity, which relates windows with similar morphology, and temporal similarity, which relates windows that occur close together in time. We introduce TEX-MEX, to our knowledge the first approach to unify the two into a single relationship. Given a random batch of windows drawn across the
dataset, TEX-MEX uses the encoder to identify which windows are structurally similar or dissimilar to each other. It then pulls each window toward the temporally shifted versions of similar windows and pushes it away from those of dissimilar ones, learning what typically accompanies similar windows in time. Across PPG,
EEG, ECG, accelerometry, and continuous glucose monitoring, TEX-MEX broadly achieves state-of-the-art performance against contrastive, reconstructive, JEPA-based, and modality-specific approaches, establishing it as a strong general SSL objective. We further train a 560K-parameter PPG foundation model that achieves state-of-the-art performance across a broad range of downstream
benchmarks while being roughly 50x smaller than the next-best unimodally pretrained PPG foundation model in our evaluation. We will release this foundation model open-source and open-weight to the community to support future work and practical applications.
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All authors Aditya Radhakrishnan, Maxwell A. Xu, Wanting Mao, Santosh Kumar, Harish Haresamudram, James M. Rehg