Authors: Zhenxiao Fu, Lei Jiang, Fan Chen
Abstract: Quantum computing remains in the Noisy Intermediate-Scale Quantum (NISQ) era, where the performance is highly constrained to noise. Addressing the limitation often requires hardware-facing capabilities beyond gate-sequence circuit specification, including mid-circuit measurement and classical feedback for quantum error correction (QEC), precise timing control for dynamical decoupling (DD), and pulse-level waveform access for calibration. OpenQASM-3 was introduced to expose exactly these capabilities, providing a hardware-level programming interface. However, despite the rapid progress of large language models in code generation, there is still no dataset specifically designed to train and evaluate LLMs on OpenQASM-3 programs that involve its advanced hardware-oriented features. To address this gap, we introduce QASM-Eval, the first comprehensive dataset designed to train and evaluate LLMs on OpenQASM-3. Rather than focusing on quantum algorithm design or reasoning, QASM-Eval explicitly targets the language's hardware-facing features. QASM-Eval comprises an expert-verified test set of 100 tasks and a training set of 4,000 tasks, systematically covering classical logic, timing scheduling, pulse control, and complex real-world workflows. To automatically validate generated programs, we check syntax, quantum states and program timeline using an extended verifier. Our evaluation reveals that while state-of-the-art LLMs struggle heavily in OpenQASM-3 coding tasks, targeted fine-tuning on QASM-Eval yields significant gains. QASM-Eval provides a crucial benchmark and training foundation to accelerate the development of reliable LLM assistants for hardware-facing quantum programming in NISQ era. Data and code: https://github.com/fuzhenxiao/QASM-Eval
Authors: Jiaqi Zhang, Ji Hou, Qing Sun, Xianzhi Gao, Bo Huo
Abstract: Estimating hip muscle forces and joint moments during gait typically relies on musculoskeletal simulation, which is informative but time-consuming and difficult to apply in clinical settings. This study developed a deep learning framework to predict these hip dynamics parameters directly from lower-limb gait kinematics and compared three representative sequence models under a unified protocol. Gait data were collected from 60 healthy adults under three metronome-guided cadence conditions. Ten bilateral lower-limb joint angles were used as inputs, and OpenSim-derived hip muscle forces and hip joint moments were used as reference outputs. Three deep learning models of LSTM, Transformer, and Mamba were trained and evaluated using the same subject-level split, preprocessing pipeline, and metrics. The best model was then directly tested on an external cohort of 9 patients with osteonecrosis of the femoral head (ONFH) without retraining. In the healthy-subject benchmark, Transformer achieved the best subject-level mean performance for both hip muscle force prediction (RMSE = 1.33 N/kg, MAE = 0.57 N/kg, R2 = 0.819) and hip joint moment prediction (RMSE = 0.11 Nm/kg, MAE = 0.07 Nm/kg, R2 = 0.862), with similar advantages across walking cadences. In zero-shot external validation, Transformer retained moderate predictive ability in ONFH for hip muscle force prediction (RMSE = 1.51 N/kg, MAE = 0.70 N/kg, R2 = 0.537) and hip joint moment prediction (RMSE = 0.17 Nm/kg, MAE = 0.12 Nm/kg, R2 = 0.569). These findings support the feasibility of estimating hip dynamics from gait kinematics, identify Transformer as a strong baseline, and highlight the need for broader pathological validation and improved generalization before clinical application.
Authors: Haochen Yuan, Yichen Song, Yunbo Wang, Xiaokang Yang
Abstract: Modern time series architectures face a fundamental trade-off: channel-independent models scale well with increasing data volume but ignore critical inter-channel dependencies, while channel-dependent models are expressive but remain ``dimension-bounded'', struggling to generalize across heterogeneous datasets.To bridge this gap, we introduce Unicorn (Universal Correlation Network), a framework for scalable, multi-dataset pretraining on high-dimensional time series. At the core of Unicorn is a latent prototype codebook that decouples correlation modeling from specific channel identities. By projecting heterogeneous channels into a shared latent space, UniCorN learns identity-agnostic, reusable interaction patterns that transfer across domains with diverse dimensionalities and semantics. Extensive experiments show that Unicorn significantly outperforms state-of-the-art forecasting architectures, particularly in few-shot transfer scenarios, offering a scalable path toward multivariate time series foundation models.
Authors: Vahideh Zolfaghari
Abstract: Deceptive alignment, in which models maintain accurate internal representations while deliberately producing false outputs, remains a central challenge in AI safety. While strategic deception is the primary long-term concern, synthetic dishonesty - induced via direct optimization on incorrect answers - provides a controlled testbed for studying the representational basis of learned deception. We introduce a multi-model paradigm in which honest and deceptive variants of five transformer models (Pythia-1.4B, Gemma-2-2B/9B, Qwen2.5-7B, Llama-3.1-8B) are fine-tuned using LoRA on the same question distribution. Linear probes trained on mean-pooled hidden states detect synthetic dishonesty with near-perfect AUC (greater than or equal to 0.99) as early as layers 1-3 in four architectures, while Pythia-1.4B reaches a peak of 0.705. Logistic regression probes consistently match or outperform MLP probes, supporting the Linear Representation Hypothesis. Probes trained on TruthfulQA generalize with near-zero loss (Delta AUC approx. 0) to held-out MMLU subjects. Late-layer representations show strong robustness to Gaussian noise, with Gemma-2 models exhibiting exceptional stability. Mechanistic analysis of Fisher Discriminant Ratio, effective rank, centroid geometry, directional stability, cross-domain alignment, and calibration (ECE) reveals two regimes: representational collapse in Pythia/Llama/Qwen versus high-dimensional preservation in Gemma-2. Across all models, the dishonesty direction consolidates progressively in deeper layers, with optimal calibration (ECE less than 0.01 except Pythia) achievable in layers 1-4. These results demonstrate that robust, domain-invariant dishonesty representations can be rapidly entrenched via modest supervised fine-tuning, with implications for activation-based monitoring.
Authors: Vincent Granville
Abstract: The purpose of this article is to provide validation to my deep neural network alternative in the context of LLMs. Very recently, there has been a significant interest by Chinese researchers in a model called RBF network, as a substitute to standard DNNs, with increased explainability and higher accuracy. It turns out that my new model, discovered independently, is based on the exact same machinery. But with a major twist: it does not need DNN as it finds the global optimum of the loss function in closed form, in one iteration, thus eliminating the tedious training step. Here I provide a high-level overview of my technology, with case study and comparison to similar methods.
Authors: Hwa Hui Tew, Junn Yong Loo, Fang Yu Leong, Julia K. Lau, Ding Fan, Hernando Ombao, Rapha\"el C. -W. Phan, Chee Pin Tan, Chee-Ming Ting
Abstract: Functional Magnetic Resonance Imaging (fMRI) provides non-invasive access to dynamic brain activity by measuring blood oxygen level-dependent (BOLD) signals over time. However, the resource-intensive nature of fMRI acquisition limits the availability of high-fidelity samples required for data-driven brain analysis models. While modern generative models can synthesize fMRI data, they often remain challenging in replicating their inherent non-stationarity, intricate spatiotemporal dynamics, and physiological variations of raw BOLD signals. To address these challenges, we propose Dual-Spectral Flow Matching (DSFM), a novel fMRI generative framework that cascades dual frequency representation of BOLD signals with spectral flow matching. Specifically, our framework first converts BOLD signals into a wavelet decomposition map via a discrete wavelet transform (DWT) to capture globalized transient and multi-scale variations, and projects into the discrete cosine transform (DCT) space across brain regions and time to exploit localized energy compaction of low-frequency dominant BOLD coefficients. Subsequently, a spectral flow matching model is trained to generate class-conditioned cosine-frequency representation. The generated samples are reconstructed through inverse DCT and inverse DWT operations to recover physiologically plausible time-domain BOLD signals. This dual-transform approach imposes structured frequency priors and preserves key physiological brain dynamics. Ultimately, we demonstrate the efficacy of our approach through improved downstream fMRI-based brain network classification. The code is available at https://github.com/htew0001/DSFM.git .
Authors: Ismet Gocer, Zakirul Bhuiyan, Raza Hasan, Shakeel Ahmad
Abstract: This paper introduces a new systematic framework for detecting anomalies in maritime Automatic Identification System (AIS) datasets. These anomalies include abnormal vessel behaviours related to speed, position jumps, time gaps, and turn angles. Although unsupervised learning algorithms such as Isolation Forest are widely used for detecting anomalous vessel movements, they often lack systematic and meaningful evaluation measures. To address this limitation, we propose a novel quality metric called Maritime Anomaly Detection Quality Index (MADQI). The prosed MADQI is a composite index designed to evaluate the anomaly detection performance of machine learning models without requiring labelled data. The proposed framework uses Haversine distance calculations to analyse AIS datasets and identify anomalies based on their spatial and behavioural characteristics. The proposed MADQI evaluation framework integrates four interconnected metrics: Anomaly Rate Consistency (ARC), Physical Plausibility Score (PPS), Score Distribution Separation (SDS), and Extreme Case Evidence (ECE). These metrics are combined through automatic normalisation using multi-chunk evaluation and adaptive scaling techniques. Experimental results on the AIS dataset show that the proposed framework achieved a MADQI score of 80.37%, demonstrating its effectiveness for unsupervised anomaly detection. In particular, the algorithm performed strongly in identifying abnormal vessel behaviour. Among the individual MADQI components, ECE and ARC achieved scores of 0.907 and 1.000, respectively, indicating excellent capability in detecting extreme anomalies and maintaining anomaly rate consistency. Overall, these results are encouraging and demonstrate that the proposed framework provides a reliable and meaningful approach for evaluating unsupervised anomaly detection in maritime AIS data.
Authors: Anany Kotawala
Abstract: Public numeric benchmarks appear in pretraining, so an evaluation that conditions on a date may be measuring memorized recall rather than out-of-sample skill. We introduce NumLeak, a measurement framework that combines API-boundary probes on production models with a white-box controlled validation on an open causal LM. Top-tier frontier LLMs recall the Fama-French market excess return at 3-seed pooled Pearson r=0.97-0.99 while staying within 0.15 within-25bps on the five sibling factors; comparable fidelity appears on U.S. unemployment, CPI inflation, and NOAA temperature. On a recent-release holdout, parse rate collapses to 21-57% but r stays at approximately 0.99 on months answered, the refuse-or-recall asymmetry a memorized channel predicts. The white-box experiment reproduces the dose-response, and logprob ranking detects memorization that open-ended generation misses, implying closed-API black-box probes understate the channel. A Sonnet "date to market-sentiment" regression that correlates with true Mkt-RF at r=0.74 collapses to r=0.02 once the model's own recall is residualized out. A one-line system-prompt defense blocks 99.8% of a non-adaptive single-turn suffix attack set at near-zero utility cost on conceptual and historical-narrative queries
Authors: Kewei Xu, Xiaoben Lu, Shuofei Qiao, Zihan Ding, Haoming Xu, Lei Liang, Ningyu Zhang
Abstract: Real-world data analysis is inherently iterative, yet existing benchmarks mostly evaluate isolated or short interactive tasks, leaving agents' ability to track evolving analytical context over long horizons untested. We introduce LongDS, a benchmark for long-horizon, multi-turn data analysis where agents must maintain, update, restore, and compose evolving analytical states. LongDS comprises 68 tasks constructed from real-world Kaggle notebooks, spanning 2,225 turns across six domains including Geoscience, Business, and Education. Tasks are designed around state-evolution patterns (e.g., counterfactual perturbation, rollback, multi-state composition), with an average dependency span of 11.3 turns. Evaluating five state-of-the-art models, we find that the best model reaches only 48.45% average accuracy, performance drops nearly 47 points from early to late turns, and long-horizon errors account for 52%--69% of failures. Further analysis shows that additional agent steps do not necessarily improve performance, suggesting that the key bottleneck is maintaining a correct analytical state rather than increasing interaction budget. We release LongDS to support research on reliable long-horizon agentic data analysis. Code and data will be released at https://github.com/zjunlp/DataMind.
Authors: Santo M. A. R. Thies, Viktor Bengs, Timo Kaufmann, Sebastian J. Vollmer, Eyke H\"ullermeier
Abstract: Calibration, the alignment of predicted probabilities with true outcome frequencies, is essential for reliable decision-making. While extensively studied for classification and regression, calibration has not been formally addressed for probabilistic label ranking, where the goal is to predict a distribution over orderings of a label set. Naively treating rankings as classes ignores their structure and fails to capture important modalities such as pairwise and top-k predictions. We formalize calibration for label ranking and develop a hierarchy of notions covering full rankings, sub-rankings, and top-k rankings. We prove that full-rank calibration implies the others but not conversely, and sub-ranking and top-k calibration are incomparable. Empirically, we find popular label ranking models are often poorly calibrated, with substantial differences between sub-ranking and top-k metrics. Applying our framework to RLHF reward models, we find that calibration correlates strongly but not perfectly with benchmark accuracy, suggesting it captures a meaningful quality dimension beyond top-1 accuracy. These findings motivate future work on understanding the downstream effects of miscalibration and developing methods to correct it.
Authors: Munawar Hasan
Abstract: Black-box LLM distillation is usually evaluated as an output-matching problem: a student is considered successful when its responses are semantically similar to, or task-consistent with, those of a teacher. However, output similarity does not imply that the student is behaviorally indistinguishable from the model it imitates. We introduce bounded behavioral indistinguishability, formalized as $(\epsilon,q,t,\mathbb{A})$-behavioral indistinguishability over an explicit prompt distribution, where $\epsilon$ bounds distinguishing advantage, $q$ bounds oracle queries, $t$ bounds computation, and $\mathbb{A}$ denotes the adversary class. We instantiate this notion on Qwen and Llama teacher-student pairs using a controlled $5,000$-prompt behavioral probe suite. For each family, we compare the teacher with both the base student and the LoRA-distilled student, measuring whether distillation reduces distinguishability rather than merely improving similarity. LoRA raises semantic similarity from $0.788$ to $0.862$ for Qwen and from $0.814$ to $0.874$ for Llama. Yet adversarial evaluation reveals remaining behavioral differences: learned discriminators retain nonzero advantage, and pairwise category analysis shows artifacts concentrated in style/format, robustness, and domain-technical prompts. A pairwise teacher-identification adversary confirms this trend. With a different-family Llama judge and A/B-swap consistency filtering, Qwen distinguishing advantage drops from $0.158$ for the base student to $0.081$ after LoRA distillation. Query-budget experiments show that disagreement-guided acquisition does not consistently outperform stratified random sampling, indicating that coverage and diversity remain strong baselines. Our results show that semantic fidelity is useful but insufficient: black-box LLM distillation requires bounded, adversarial, and category-aware evaluation.
Authors: Aakriti Agrawal, Minghui Liu, Furong Huang
Abstract: Group Relative Policy Optimization (GRPO) is an effective recipe for training reasoning models with verifier-based outcome rewards, but its supervision is sparse: when all sampled trajectories for a prompt receive the same verifier reward, the group-relative advantage collapses to zero and learning stalls. Outcome-only rewards also provide no step-level credit assignment, limiting exploration and making it harder to learn robust reasoning. We present VeriGate (Verifier-Gated Step-Level GRPO), a verifier-gated extension of GRPO that addresses these limitations with three design choices. First, VeriGate keeps the verifier in charge whenever verifier rewards induce a meaningful preference among sampled trajectories, and uses process supervision only when verifier rewards are degenerate. Second, instead of collapsing Process Reward Model (PRM) step scores into a single trajectory reward, VeriGate converts them into future-cumulated rewards to assign continuation-aware credit. Third, VeriGate transforms these rewards into group-normalized token-level advantages, restoring informative gradients and fine-grained credit assignment while remaining less susceptible to reward hacking than methods that optimize aggregated PRM scores. Empirically, training on MATH with 1.5B and 7B Qwen2.5-Instruct models and evaluating on six reasoning benchmarks, VeriGate improves average accuracy by about 20% and 12% for 1.5B and 7B models respectively, substantially reduces zero-gradient failures, decreases reward-hacking behavior, and improves reasoning quality relative to outcome-only GRPO and PRM-as-outcome baselines.
Authors: Zeou Hu, Kelvin Ho, Yaoliang Yu
Abstract: Many machine learning problems involve multiple inherent trade-offs that are best addressed by gradient-based multi-objective optimization (MOO) algorithms. Existing methods are often proposed with various motivations, analyzed case by case, and differ algorithmically in how the component gradients are aggregated at each step. In this work, we develop a unifying framework for gradient aggregation in MOO, establishing (optimal) rates of convergence to Pareto stationarity, the standard measure of performance in MOO. Central to our analysis is a sufficient alignment condition, from which we derive a theorem showing that non-conflicting directions, when chosen within the convex hull of gradients, form a fundamental sufficient condition for convergence. We further show that feasibility can be ensured through projection onto the dual cone, broadening the scope of methods that admit convergence guarantees. In parallel, we present a primal optimization perspective of gradient aggregation that encompasses established algorithms, clarifies their theoretical relationships, and enables the design of new variants. As an illustration, we introduce capped MGDA, derived from a CVaR-based formulation, and demonstrate its robustness in adversarial federated learning. Finally, we validate our theory through experiments on synthetic problems and practical benchmarks.
Authors: Shraman Pal, Can Li
Abstract: Many learning tasks in science and engineering are characterized by sparse datasets, which limits the effectiveness of purely data-driven approaches. At the same time, these problems are often accompanied by rich domain knowledge derived from physical laws, operational requirements, and expert heuristics. Such knowledge is frequently expressed as rules involving logical propositions and linear inequalities. Existing neuro-symbolic methods typically enforce these rules approximately through soft penalties, assume input-independent rules when designing specialized architectures, or rely on non-differentiable post-processing at inference time to achieve hard constraint satisfaction. While recent advances in differentiable optimization layers enable end-to-end feasibility enforcement within neural networks, extending these approaches to logical or mixed-integer rules remains challenging due to inherent nonconvexity. In this work, we propose a unified end-to-end framework for enforcing hard, input-dependent mixed integer linear constraints within neural networks. Our approach represents rules as disjunctive constraints and applies hierarchical convex relaxations to obtain convex hull formulations. These relaxations yield tractable linear constraints that can be embedded as differentiable optimization layers while enabling exact rule satisfaction. We demonstrate the effectiveness of the proposed framework on real-world datasets, achieving perfect rule satisfaction and strong predictive performance.
Authors: Santiago Amaya-Corredor, Miguel Calvo-Fullana, Anders Jonsson
Abstract: We present a distributed approach for constrained Multi-Agent Reinforcement Learning (MARL) that combines state-augmented policy learning with distributed consensus over dual variables. Our method targets systems where agents have separable dynamics but must coordinate to satisfy global resource constraints, a setting in which, as we demonstrate empirically, independent learning fails to produce feasible solutions because agents cannot determine appropriate individual contributions toward collective constraint satisfaction. The key technical contribution is showing that lightweight neighbor-to-neighbor consensus over Lagrange multipliers suffices for globally coordinated constraint enforcement while preserving the scalability of independent training. Each agent learns a single augmented policy offline, conditioned on both its local state and a dual variable encoding constraint feedback. During execution, agents reach agreement on this dual variable through local communication alone. We prove that under mild connectivity assumptions, the consensus error among agents' multipliers is bounded, and show that this translates to a bounded constraint violation that decreases with graph connectivity and the number of consensus rounds. Unlike centralized training with decentralized execution (CTDE) approaches, whose complexity grows at least quadratically with agent count, our method scales linearly in both training and execution. Experiments on smart grid demand response demonstrate that consensus coordination is \emph{essential for feasibility}: without it, agents satisfy grid capacity constraints only by indefinitely postponing demand, a degenerate non-solution. With consensus, agents converge to a shared dual variable and satisfy both grid constraints and demand fulfillment, scaling to thousands of agents while CTDE baselines are limited to dozens.
Authors: Andrada Gobeaja, Ionut Hodoroaga, Elena Burceanu, Marius Leordeanu
Abstract: Can a dataset be recognized from the spurious correlations it induces during training? We argue that datasets leave dataset-specific traces in a model's learned semantic correlation structure: incidental regularities that are predictive within a dataset, but not causal for the underlying task, can be internalized during training. We use this insight to study dataset-level membership inference, moving beyond existing methods that rely on behavioral or distributional evidence such as confidence scores, losses, margins, generated samples, or query responses. We introduce a white-box semantic fingerprinting approach based on semantic correlation descriptors (SCDs), which capture the semantic correlation structure learned by a model and make it comparable across dataset mixtures. In a controlled leave-one-dataset-out diagnostic, SCDs recover dataset-specific changes and perfectly separate matching from non-matching dataset pairs. We then propose a practical SCD-based membership score that tests whether a target dataset is part of a model's training mixture using only the model's SCD and the target dataset's standalone SCD, without requiring leave-one-dataset-out models. Across three diverse experimental settings, with dataset groups for natural language inference, emotion classification, and medical text classification, we test both the advantages and limitations of SCD-based membership inference with different degrees of semantic separation and keyword support between dataset splits. On average, the classifier based on this score achieves the highest performance and the lowest std, outperforming black-box baselines RMIA, Attack-P, and LiRA, as well as the white-box SIF baseline. These results show that dataset membership can be traced through internal semantic correlations, with the largest relative gain exceeding 60% in ROC-AUC when dataset groups expose distinct semantic particularities.
Authors: Ojas Nimase, Jiate Li, Yue Zhao, Yushun Dong
Abstract: Graph Machine Learning as a Service (GMLaaS) platforms increasingly implement explainability interfaces to meet regulatory transparency requirements. However, this transparency creates exploitable vulnerabilities for model extraction attacks. We present the first model extraction attack specifically designed for graph classification under strict black-box constraints where the attacker observes only discrete class labels and binary explanation masks (no probability scores, gradients, or confidence values). Our method (1) uses model explanation outputs to guide Monte Carlo edge sensitivity estimation toward decision boundaries, with Hoeffding concentration guarantees on estimation accuracy and (2) exploits explanation subgraphs to efficiently narrow the boundary search space. Extensive experiments on benchmark graph datasets across multiple domains demonstrate our method's superiority over comparable baselines. These findings demonstrate that such explainability interfaces create exploitable attack surfaces, informing both defensive mechanisms and policy frameworks for explainable AI mandates. The implementation code is provided in https://github.com/LabRAI/XSTEAL/.
Authors: Steve Hanneke, Hongao Wang
Abstract: We consider the problem of universal transductive online classification with a possibly unbounded label space. This setting considers online learning, with the sequence of instances (without labels) known to the learner in advance. We say a concept class $\mathcal{H}$ is learnable if there is a learning algorithm $\mathcal{A}$, such that for every realizable sequence, the number of mistakes made by $\mathcal{A}$ grows at most sublinearly with the number of predictions. We characterize the learnability of this setting and show that there are only two possible optimal rates for the learnable classes: either bounded or increasing logarithmically. We introduce a new combinatorial structure, called ``Level-Constrained-Littlestone-Littlestone (LCLL) tree'', which, along with the indifference property, characterizes the learnability. We also extend the learnability result to the agnostic case and the case where only the stochastic process that generates the instance sequence is known.
Authors: Xiaoyu Huang, Blake Jackson, Kyu-Hwan Lee
Abstract: Machine learning is increasingly used in mathematical discovery, but in mathematics the desired output is often not a prediction itself, but an explicit construction that can be checked independently. We study this setting through the zeta map on Dyck paths, a classical bijection in the combinatorics of the q,t-Catalan numbers. We train a deliberately small one-layer, one-head encoder-decoder transformer on this map and analyze its learned computation using mechanistic interpretability tools, including decoder cross-attention analysis, linear probing, and causal intervention. The analysis reveals a level-based mechanism: encoder representations make path levels linearly accessible, while the decoder selects and traverses input positions in a structured way. Translating these signals into combinatorics leads to the scaffolding map, an explicit peak-centered traversal algorithm for Dyck paths. We prove that this algorithm agrees with the zeta map, modulo a reversal convention in the labeling. This gives a controlled example of AI-assisted mathematical discovery in which mechanistic interpretability turns model behavior into a precise, human-verifiable combinatorial algorithm.
Authors: Amirhossein Ghaffari, Saeid Sheikhi, Ekaterina Gilman
Abstract: Spatio-temporal forecasting on sensor graphs is commonly tackled with a single backbone architecture applied uniformly across all nodes, although graph regions can exhibit different dynamics. Road segments differ in functional class, structure, and traffic behavior, suggesting that node-wise expert specialization can be useful. We propose GC-MoE, a graph-conditioned mixture of experts framework that assigns each node a personalized combination of frozen forecasting experts based on graph topology and the recent traffic input window. GC-MoE combines frozen pretrained spatio-temporal GNN experts with an input-aware, spatially contextualized router while training only a lightweight routing module. We also study a bounded graph-conditioned output refinement layer as an optional extension and include node-adaptive ST-LoRA adapters only as an ablation diagnostic. Across four standard benchmarks (PEMS04, PEMS07, METR-LA, and PEMS-BAY), GC-MoE improves MAE over a zero-parameter ensemble baseline, with competitive RMSE and MAPE, while training only ~17K parameters on top of 1.5M frozen expert weights. The implementation is available at https://github.com/Ahghaffari/gc_moe.
Authors: Suryash Yagnik, Shubham Gaur, Saksham Thakur, Vinija Jain, Aman Chadha, Amitava Das
Abstract: Machine unlearning evaluation is structurally skewed: Why-type questions, which probe causal and relational knowledge, comprise less than 0.06% of CounterFact, 0.6% of ZSRE, and less than 1.3% of TOFU, MUSE, and WMDP-Cyber. This near-zero representation means that methods that fail on causal knowledge can score highly in aggregate, and this failure is undetectable without balanced evaluation. We present 5WBENCH, a balanced 5,000-sample benchmark with 1,000 examples per 5W category (Who, What, When, Where, Why), making causal unlearning failures quantifiable for the first time. Using 5WBENCH, we show that no existing baseline simultaneously achieves high forgetting and high retention on Why-type questions: aggressive forgetting degrades retained knowledge, while conservative methods fail to forget causal facts. Why-type difficulty stems from multi-hop reasoning chains (44% of Why entries vs. less than or equal to 2% for others) and gradient dilution over 40.1-token answer spans. We present MAAT (Multi-phase Adapter-Aware Targeted Unlearning), a three-phase framework operating on LoRA adapter weights, combining gradient-projected ascent, SVD rank-dimension pruning, task vector negation, and hybrid KL-hidden-state retain repair. MAAT is the first method to simultaneously achieve high forgetting and high retention on Why-type causal knowledge, reaching a new operating point on the forget-retain Pareto frontier. We make our code publicly available.
Authors: Anej Svete, William Merrill, Ryan Cotterell, Ashish Sabharwal
Abstract: Recent work describes what transformers can and cannot compute through connections to boolean circuits, but existing results lack exact characterizations and are sensitive to modeling choices. Padded transformers -- to whose input filler symbols such as ``...'' are appended -- emerge as a useful gadget for establishing equivalences to circuit classes by providing polynomial space for adaptive parallel computation. However, only a limited set of padded transformer idealizations has been studied, leaving open how robustly these equivalences hold under changes to attention type, model width, and uniformity. We find that, under practical assumptions, padded transformers are surprisingly robust to all of these, and identify numeric precision and model depth as the main factors affecting expressivity. Concretely, we prove that polynomially padded $\text{L-uniform}$ constant-precision transformers are equivalent to $\text{L-uniform AC}^0$, while growing-precision ones achieve $\text{L-uniform TC}^0$ regardless of width. Furthermore, looping enables sequential processing analogous to circuits: $\log^d N$-looped constant-precision transformers reach $\text{FO-uniform AC}^d$, and growing-precision ones reach $\text{FO-uniform TC}^d$. Interestingly, growing width or precision beyond logarithmic does not increase expressivity, and all our results hold for both softmax and average hard attention transformers.
Authors: Yichen Liu, Mingyu Chen, Hao Wang, Xiaoran Xu, Chenxi Lin, Rui Zhang, Yutong Zhou, Yuxin Yang, Jiarui Wu, Wei Sun
Abstract: Large language models are now adapted through chains of post-training stages rather than through a single instruction-tuning pass. This paper studies whether such sequential post-training gradually compresses internal representations into low-rank, anisotropic, and homogeneous feature spaces. We define a measurement suite for hidden states, logits, token trajectories, and LoRA updates, and we use it to analyze supervised fine-tuning, preference optimization, safety/refusal tuning, math and code specialization, and long chain-of-thought tuning under controlled stage orderings. The central hypothesis is that excessive representation concentration is not merely a geometric curiosity: it predicts reduced plasticity during later adaptation, weaker out-of-domain generalization, and poorer calibration. We further evaluate lightweight interventions, including mixed-domain replay, feature refresh, representation diversity regularization, and LoRA update decorrelation, as ways to preserve future learnability without giving up the behavioral gains of post-training.
Authors: Aniket Anand, Janvijay Singh, Zhewei Sun, Dilek Hakkani-T\"ur, Nick Feamster
Abstract: Aligned language models often exhibit a recognizable AI-like style, yet its connection to post-training and internal representations remains poorly understood. In this work, we study whether post-training introduces or amplifies AI-like stylistic regularities and whether these regularities have a localized internal signature. To this end, we compare human text, base-model generations, and aligned-model generations under matched human-source prefixes. Aligned generations show lower human-corpus affinity and higher AI-detection rates than base generations, suggesting that post-training shifts generated text away from human-corpus style and toward detector-visible AI-like text. We then introduce PASTA (Post-training Alignment Signature Targeted Ablation), a training-free method that estimates a post-training alignment signature from aligned-base residual contrasts and ablates the corresponding direction during decoding. Across 11 aligned models and 6 AI detectors, PASTA lowers the detection rate for most aligned models; this effect transfers well across detectors and is not reproduced by random directions. Qualitative analysis suggests that PASTA generations remain relevant and coherent while exhibiting greater stylistic variation. Together, these results show that AI-like stylistic effects of post-training can be measured, localized, and causally tested through activation ablation.
Authors: Yuxin Yang, Aoxiong Zeng, Xiangquan Yang
Abstract: Data selection is increasingly used to reduce the cost of large language model (LLM) fine-tuning, with recent methods prioritizing samples by current utility, diversity, quality, or influence. This paper studies a different question: when fine-tuning occurs over multiple stages, can selection strategies that look optimal now make the model less adaptable later? We introduce a long-horizon view of LLM data selection in which a selector is evaluated not only by immediate task performance, but also by future adaptation speed, forgetting, capability imbalance, and out-of-distribution robustness. We compare representative random, loss-based, gradient-based, diversity-based, quality-based, and utility-diversity selection families under a unified multi-stage protocol. Through controlled experiments designed to instantiate this protocol, we show how short-term selectors can exhibit rank reversal: they improve the current stage while slowing subsequent learning and increasing forgetting. We formalize this behavior as \emph{myopic selection}, provide a simple local analysis of why it can occur, and propose a diagnostic Long-Horizon Aware Selection (LHAS) objective that augments immediate utility with coverage, future-proxy transfer, and anti-concentration terms. The study argues that data selection should be evaluated as a training intervention that shapes the model's learning trajectory, rather than only as a local data-efficiency mechanism.
Authors: Yiming Xiao, Ankit Basu, Kai Yin, Sahil Vartak, Christian Swords, Ali Mostafavi
Abstract: Disasters are inevitable and increasingly costly, and effective response depends on querying structured tabular data: precise, information-dense records of hazard, exposure, vulnerability, and lifeline infrastructure that underpin disaster management. Current text-to-SQL methods enable natural-language access to such tables but transfer poorly to the disaster domain, where queries span heterogeneous geospatial schemas and require reasoning over causal relations. We introduce DisasterLex, a knowledge-graph-mediated framework that inserts an Expert Knowledge Graph (EKG) of curated concepts and typed causal edges between the user query and the database, bridged to schema by concept-to-table links. The orchestration runs four stages (identifying query entities, routing to the operational domain, planning over causal edges, and grounding the SQL), restricting the schema passed to the model at each step. We instantiate it on a disaster-analytics database (36 geospatial tables, 150 columns) with an EKG of 107 concepts, 117 causal edges, and 52 concept-to-schema links, evaluated on a 75-query test set. On all seven base models spanning proprietary and open-weight families, DisasterLex beats four state-of-the-art baselines (LightRAG, HippoRAG 2, ReFoRCE, CHESS) by 1.4x to 2.75x, with absolute scores of 1.65 to 3.56 (of 5.0). Error analysis shows baseline failures cluster in routing and multi-table SQL composition, the operations our orchestration explicitly addresses. Code, data, and the EKG artifact are available at https://github.com/YimingXiao98/DisasterLex and on Zenodo at https://doi.org/10.5281/zenodo.20388029.
URLs: https://github.com/YimingXiao98/DisasterLex, https://doi.org/10.5281/zenodo.20388029.
Authors: Joseph Stitt, Pratik Rathore, Madeleine Udell, Ching-Yao Lai
Abstract: Full waveform inversion (FWI) is the gold standard for subsurface imaging, with applications from carbon sequestration to energy and mineral exploration to earthquake hazard assessment. Machine learning approaches to FWI need field-scale, geologically diverse, and physically realistic training data, but existing resources such as Marmousi, SEAM, and OpenFWI fall short on spatial extent, temporal extent, geological diversity, and physical realism. We address these limitations with SubsurfaceGen, a GPU-accelerated generator for 3D velocity models and seismic data. Along with SubsurfaceGen, we release a paired dataset of 4,276 2D velocity slices, 5 s wavefields, and 8 s shot gathers drawn from 42 realistic, field-scale 3D velocity models, each spanning 10 km x 10 km laterally and 6.19 km deep at 10 m resolution. The dataset spans six geological settings -- four built with SubsurfaceGen and two drawn from prior sources -- relevant for carbon sequestration and hydrocarbon exploration. We use this dataset to evaluate neural operators on wavefield prediction and encoder-decoders on end-to-end velocity inversion, holding out one geological setting for out-of-distribution testing. These experiments surface failure modes at field-scale and demonstrate how SubsurfaceGen and the associated dataset can impact ML-based FWI.
Authors: Robert Kasumba, Dennis Barbour, Chien-Ju Ho
Abstract: Adaptive systems often need to make task-specific decisions about people from limited evidence: a tutor may need to anticipate how a learner will approach a new problem, a game may need to adapt when a player enters a new level, and a human-AI system may need to infer whether a partner will persist with a plan or switch goals. These decisions depend on person-level tendencies that shape how people solve related tasks, but such tendencies are difficult to infer from standard behavioral evidence. One approach is to use aggregate outcome summaries, such as scores, completion rates, or productivity; these summaries are compact and available across tasks, but can collapse distinct behavioral processes into similar outcomes. Another approach is to use process-level traces, which record how behavior unfolds; however, process modeling within one task can entangle stable person-level tendencies with task-specific layout and affordances. In this work, we study early cross-task behavioral inference: whether partial source-task process traces can reveal transferable person-level structure that predicts strategy in a held-out target task. We introduce a Process-Level Latent Variable Model (PLVM), which encodes task-specific traces and fuses them into a shared person-level latent representation for cross-task prediction. In PowerWash Simulator, a naturalistic telemetry dataset of human gameplay, PLVM uses partial traces from two cleaning tasks to predict locally persistent Zone Planner behavior versus frequent Zone Hopper behavior in the held-out Fire Station level. Controlled simulations with known latent types show that cross-task fusion helps when source tasks reveal complementary dimensions of a shared latent process. These results suggest that process-level cross-task modeling can support early prediction of target-task strategy when observing sufficient target-task behavior is impractical.
Authors: Pierre-Andr\'e No\"el
Abstract: I present diffusion models as part of a family of machine learning techniques that withhold information from a model's input and train it to guess the withheld information. I argue that diffusion's destroying approach to withholding is more flexible than typical hand-crafted information withholding techniques, providing a rich training playground that could be advantageous in some settings, notably data-scarce ones. I then address subtle issues that may arise when porting reinforcement learning techniques to the diffusion context, and wonder how such exploration problems could be addressed in more diffusion-native ways. I do not have definitive answers, but I do point my fingers in directions I deem interesting. A tutorial follows this thesis, expanding on the destroy-then-generate perspective. A novel kind of probabilistic graphical models is introduced to facilitate the tutorial's exposition.
Authors: Nils Leutenegger
Abstract: Random, untrained neural networks consistently match or exceed trained networks in representational similarity to early visual cortex. This puzzling finding challenges the assumption that learning improves brain alignment. We investigate it by tracking representational similarity analysis (RSA) alignment to human fMRI data across training for four learning rules: backpropagation (BP), feedback alignment (FA), predictive coding (PC), and spike-timing-dependent plasticity (STDP). Using 720 object images from the THINGS database and fMRI data from three subjects across six visual ROIs, we measure Spearman correlations between model and brain representational dissimilarity matrices at eight training checkpoints (epochs 0-40). We find that (1) a single epoch of training reduces V1 alignment by 25-90%, depending on the learning rule; (2) backpropagation reduces V1 alignment most severely (delta r = -0.080), while predictive coding and STDP preserve substantially more (delta r ~ -0.04); and (3) a weaker, opposite tendency appears in object-selective cortex (LOC), where BP shows the largest increase in alignment during training, although the absolute change is small. These results suggest that untrained architectures capture low-level visual statistics through inductive biases alone, and that global error signals (BP) reshape early representations more aggressively than local learning rules (PC, STDP), which better preserve brain-like structure.
Authors: M. Berk Sahin, Behzad Sharif, Abolfazl Hashemi
Abstract: Sampling from high-dimensional, non-log-concave distributions with unnormalized densities remains a fundamental challenge in machine learning, particularly in black-box settings where gradient information is inaccessible or computationally prohibitive. While Langevin dynamics provides a principled framework for sampling when gradients are accessible, its extension to the black-box settings suffers from high variance and lacks non-asymptotic convergence guarantees for non-log-concave sampling. To address these limitations, we propose a variance-reduced zeroth-order Langevin sampling method. Our method employs a gradient estimator that substantially reduces the variance of the classical batched zeroth-order estimator and eliminates the unfavorable dimensional dependence of the batch size required for accurate estimation, enabling practical and stable sampling. We establish the first non-asymptotic convergence guarantees for zeroth-order non-log-concave sampling in terms of $\varepsilon$-relative Fisher information, and, under a Poincar\'e inequality assumption, squared total variation distance. We further propose ZO-APMC, a posterior sampling algorithm for black-box inverse problems with pre-trained score-based generative priors, establishing the first non-asymptotic convergence guarantees for such methods. We validate our theory through synthetic experiments and demonstrate strong empirical performance on practical linear and nonlinear inverse problems.
Authors: Jostein Barry-Straume, Changmin Son, Adrian Sandu, Gavan Burke, Rekha Sundararajan, Andrew Rimell, James G. Steinrock
Abstract: Effective prognostics and health management of modern engines relies on accurate turbine gas temperature predictions and robust uncertainty quantification to ensure reliability and safety. This paper investigates five major approaches for constructing prediction intervals -- namely the Delta method, Bayesian Monte Carlo Dropout, Bootstrap method, Lower-Upper Bound Estimation, and Mean-Variance Estimation -- as a means of capturing the uncertainty in neural network predictions of turbine gas temperature. Each approach is implemented within a unified experimental framework that employs cross-validation for hyperparameter selection, repeated train-test splits for performance robustness, and multiple metrics to evaluate both the accuracy and tightness of the intervals. In particular, Coverage Probability, Normalized Mean Prediction Interval Width, and the Coverage Width-based Criterion are measured to comprehensively assess each method's reliability and sharpness. Experiments conducted on a representative turbine gas temperature dataset reveal distinct trade-offs among the five methods in terms of interval coverage, width, and stability. These findings provide a practical guide for selecting and tuning prediction interval methods in engine health management and prognostics, ensuring both interpretability and precision in real-world applications.
Authors: Matt Turk
Abstract: Two clinical AI systems can score nearly identically on coverage-based rubrics yet behave radically differently when their patient inputs change: one updates its recommendations to match the new clinical signal, while the other produces the same output regardless. We introduce the Causal Sensitivity Score (CSS), a pre-registered interventional metric that mutates oncology tumor-board cases along five clinically meaningful dimensions - biomarker flips, prior-treatment failures, biomarker removals, surgery-status changes, and stage perturbations - and scores whether each model updates its recommendations in the pre-registered correct direction using a {0, 0.5, 1.0} scale. Benchmarked against the Consensus Match Score (CMS), a coverage-based weighted recall metric, six frontier models from three labs evaluated in single-shot inference across 224 cases rank in nearly opposite orders: all six models change rank, the CMS-worst model becomes CSS-best, and one upper-mid CMS model ranks last on CSS. We further surface a universal safety blind spot: every frontier model fails on surgery-status interventions (at most 17.2% CSS on Family D), a finding CMS does not expose. The metric also transfers to tool-using agents: in a ReAct-style experiment, tool use improves CSS for five of six models (+2.5 to +20.3 percentage points), yet the lowest-CSS model retrieves the same chart sections and still fails to update its recommendations - revealing a structural responsiveness deficit visible only under counterfactual evaluation. Cross-judge replication and three-rater medical-professional validation confirm the aggregate findings. Interventional pre-registered metrics like CSS complement coverage-based evaluation for clinical AI agents: they capture responsiveness that coverage metrics miss and offer a candidate dense reward signal for future agentic RL systems.
Authors: Diyali Goswami, Auroop R. Ganguly
Abstract: We study the problem of assigning a scalar score to a short trajectory window that reflects its position on an ordered continuum of predictability regimes, spanning structured deterministic dynamics to unstructured stochastic noise. Existing methods address deterministic-versus-stochastic discrimination within a single system and do not produce scores with a consistent numerical interpretation across systems. We formalize this as ordinal estimation over a five-level predictability ladder and identify a structural source of cross-system ambiguity: ranking supervision alone leaves the score coordinate unfixed up to a monotone reparameterization, which we term the gauge freedom of ordinal scoring. We propose the Gauge-Fixed Ordinal Network (GON), a temporal convolutional model trained with an anchor-and-variance objective that pins level-wise score means to shared target coordinates. GON operates on 2-jet features that expose local trajectory geometry, preserved by smooth flows and disrupted by stochastic surrogate procedures. On five held-out dynamical systems, initializing from a pretrained GON checkpoint consistently outperforms training from scratch across all window budgets, with adaptation depth reflecting geometric proximity to the training family. Zero-shot scores retain ordinal structure at the stochastic boundary, where surrogate procedures most strongly disrupt nonlinear geometry, and pretrained initialization consistently beats scratch across all window budgets. Pairwise discrimination and globally coherent ordinal scoring are distinct properties requiring a stable score coordinate for cross-system transfer, with direct implications for predictability assessment, model selection, and early-warning diagnostics across natural and engineered dynamical systems.
Authors: Jostein Barry-Straume, Changmin Son, Adrian Sandu, Gavan Burke, Rekha Sundararajan, Andrew Rimell, James G. Steinrock
Abstract: Engine Health Management (EHM) depends on reliable forecasting of Remaining Useful Life (RUL) and on tracking thermal indicators such as turbine gas temperature (TGT). In practice, real-world fleet data are heterogeneous and non-stationary, and point predictions alone are insufficient for risk-aware maintenance decisions. This paper presents a multi-task scientific machine learning framework for turbine prognostics that jointly predicts turbine gas temperature untrimmed (TGTU), Delta Turbine Gas Temperature (DTGT), and RUL, with quantified uncertainty in the form of prediction intervals whose empirical coverage is evaluated. A shared sequence encoder (convolutional front-end with residual bidirectional LSTM layers and attention pooling) feeds task-specific heads, including mean--variance estimation for probabilistic regression and, optionally, a survival head for threshold-based event modeling. The framework is designed to be tunable via a small set of practitioner-facing parameters (e.g., DTGT thresholding rules and RUL target construction) so that deployment can align with in-house policies and proprietary criteria. The predictive performance of the proposed framework is evaluated using both point and interval metrics, including mean absolute error (MAE), prediction interval coverage probability (PICP), mean prediction interval width (MPIW), and the coverage--width criterion (CWC). Results are reported both in aggregate and stratified by flight phase and maintenance segment to highlight operational-context effects and to support uncertainty-aware monitoring.
Authors: Oscar Thorsted Svendsen, Nikolaj Holst Jakobsen, Fabian Mager, Hiba Nassar
Abstract: Independently trained neural models typically converge to incompatible latent representations, creating a fundamental barrier to highly modular AI systems. While Relative Representations (RR) address this by mapping absolute coordinates to a shared space defined by similarities to common anchor points, traditional implementations rely on randomly sampled anchors and cosine similarity, which frequently fail to capture the anisotropic geometries of modern architectures like Transformers. In this work, we propose a robust framework for cross-model communication based on two improvements. We learn anchors as robust semantic prototypes and utilize a geometry-aware similarity metric which preserves discriminative magnitude information and is invariant to affine shifts. Our approach demonstrates significant gains in performance and consistency across vision and language tasks. Notably, it enables nearly lossless information transfer and stable zero-shot communication even between highly heterogeneous architectures, such as small language models of varying scales.
Authors: Rajas Poorna (Georgia Institute of Technology), Marcus T. Cicerone (Georgia Institute of Technology)
Abstract: Nonlinear dimensionality-reduction methods such as UMAP and PaCMAP adaptively normalize local distances during graph construction, erasing neighborhood scale from the data. This distorts more than relative cluster sizes: sparse structures like bridges between transitioning cell types and narrow spectral spikes in hyperspectral images can be suppressed or lost entirely. DensMAP adds a density penalty to correct this, but this penalty competes with UMAP's attraction-repulsion forces, scattering points far from their neighborhoods. ScaleMAP takes a different approach: each pairwise embedding displacement is divided by the geometric mean of the two endpoints' original-space local radii, re-injecting scale information as a change of variables rather than as a competing objective. Across standard benchmarks and scientific datasets from transcriptomics, hyperspectral imaging, and flow cytometry, ScaleMAP matches DensMAP on density preservation while maintaining UMAP-level neighborhood preservation. In transcriptomic data, it recovers sparse bridges between cell populations that UMAP collapses; in flow cytometry, it faithfully represents density structure across 17 orders of magnitude. The same principle applied to PaCMAP yields consistently improved density preservation, suggesting the approach generalizes beyond UMAP.
Authors: Saeedeh Davoudi, Reihaneh Iranmanesh, Ophir Frieder, Nazli Goharian
Abstract: Medical knowledge is continuously evolving. This creates a need to update or selectively forget information encoded in already-trained medical LLMs. Machine unlearning aims to remove the influence of specific training data from a model without full retraining. Yet, existing unlearning benchmarks rely on synthetic or small-scale general data, leaving clinical unlearning understudied. We introduce AMNESIA, the first large-scale, open source benchmark for medical unlearning, with 70,560 question-answer pairs from 8,820 patient notes across 11 disease categories. AMNESIA includes both factual questions testing direct recall and reasoning questions testing clinical inference. We use it to evaluate four widely used unlearning methods at both random patient and disease-level, and introduce a new metric for detecting leakage of medical terminology. We show that unlearning individual patients erodes knowledge of others with the same condition, calling for methods that can better separate patients from shared clinical knowledge.
Authors: Omri Lev, Moshe Shenfeld, Vishwak Srinivasan, Katrina Ligett, Ashia C. Wilson
Abstract: Randomized sketching is a central tool for compressing large-scale optimization problems while preserving accuracy. In particular, sketches that are based on structured matrices, such as the Hadamard matrix, can be applied efficiently and often yield solutions that approximate those of the original problem at much lower computational cost. In differential privacy (DP), Gaussian sketching has been used to solve DP linear regression, beginning with \citet{sheffet2017differentially, sheffet2019old} and later refined by \citet{lev2025gaussianmix, lev2026near}. However, although these methods achieve strong utility guarantees, they usually do not improve runtime over classical DP approaches. In this work, we introduce a new DP sketching mechanism based on fast transforms, which, in certain cases, matches the runtime of classical fast sketching methods. We prove state-of-the-art privacy guarantees for this mechanism and show that, in favorable regimes, they match those of the Gaussian sketch up to a constant factor. As an application, we combine this mechanism with recent sketch-based methods for DP linear regression to obtain a new algorithm with strong utility and improved runtime. We establish privacy and accuracy guarantees for this algorithm, yielding, to the best of our knowledge, the first fast method for DP ordinary least squares.
Authors: Micha{\l} Kozyra, Gesine Reinert
Abstract: Modern deep networks remain fragile under distribution shift and adversarial perturbations, often due to excessive or poorly structured input sensitivity. We introduce TASER (Task-Aware Stein Regularisation), a training-time regularisation framework derived from Langevin Stein operators. By penalising pointwise Stein residuals under the training distribution, TASER encourages geometric compatibility between predictors and data density, inducing anisotropic, data-aware smoothness. We provide theoretical links between Stein regularisation and reduced first-order shift sensitivity, develop scalable implementation variants compatible with modern architectures, and demonstrate improved robustness and stability across regression and vision benchmarks. Across CIFAR-10 experiments, TASER consistently improves the adversarial robustness of established training methods without incurring statistically significant clean-accuracy degradation.
Authors: Sven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner, Andreas Krause
Abstract: Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for Constrained Generative Optimization, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to sequential fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task. Across these evaluations, CFO achieves consistent increases in reward while ensuring high constraint satisfaction, showcasing its practical utility for constrained generative optimization.
Authors: Harsh Vardhan, Sunav Choudhary, Natwar Modani, Arya Mazumdar
Abstract: In selective classification, a model predicts the labels of data samples where it is confident, and abstains from predicting labels for samples on which it is not confident. The rejected samples are often labeled by an expert, which is expensive. The budget for the expert is best utilized when the model has low error on non-rejected samples. However, the estimate of a model's confidence might be inconsistent with the model's predictions, which can lead to high error on non-rejected points. Such situations can readily occur in in-context binary classification by LLMs. To remedy this, we propose making additional pairwise queries to the same model. These pairwise queries can detect high-error samples and be incorporated into selective classification techniques to reduce the error on non-rejected samples. Theoretically, we establish the conditions under which a simple algorithm using pairwise queries outperforms an inconsistent confidence estimate. We support this insight through extensive experiments for $1$ synthetic and $4$ in-context learning-based real binary classification datasets. In all these cases, we show that our algorithms, using pairwise queries, obtain a better accuracy-cost tradeoff than using only the raw confidence estimates, for instance, the LLM's next-token logits.
Authors: Nicolas Huynh, Mihaela van der Schaar
Abstract: Inferring continuous probability paths from sparse snapshots is a fundamental challenge in domains like single-cell biology, where high-fidelity data acquisition is often destructive and constrained by prohibitive sequencing costs. This motivates the need for active learning strategies to strategically select optimal measurement times. However, designing active learning policies for this setting remains an open problem: the target objects reside on the infinite dimensional Wasserstein space where standard Euclidean metrics are ill-defined, and current interpolation methods lack epistemic uncertainty quantification. We introduce a framework which extends active experimentation to the space of measures. By leveraging Linearized Optimal Transport (LOT), we map distributional snapshots into a tangent space amenable to Gaussian Process modeling, allowing us to construct a tractable probabilistic surrogate for the underlying probability path. This yields an acquisition policy that iteratively selects measurement times to minimize uncertainty. Empirical results demonstrate that our strategy outperforms uncertainty-agnostic baselines on both synthetic and real-world datasets.
Authors: Silas Ruhrberg Est\'evez, Nicolas Huynh, Tennison Liu, Roderik M. Kortlever, Gerard I. Evan, David L. Bentley, Mihaela van der Schaar
Abstract: Inferring dynamics from population snapshots is a fundamental challenge in machine learning and biology. In scRNA-sequencing (scRNA-seq), destructive measurements preclude direct tracking of individual cells across time, making trajectory inference underdetermined. Optimal Transport (OT) provides a principled framework for snapshot alignment, but a long-standing modeling question is which cost functions yield biologically meaningful couplings. Standard OT approaches rely on gene-expression distances, implicitly treating cells as independent points and neglecting structured cell-cell communication mediated by ligand-receptor signaling. We introduce CellBRIDGE (Cell-Based Regularized Interaction-Driven Gene Expression), which augments feature-based OT with a directed, typed interaction cost derived from ligand-receptor activity. By explicitly modeling cell-cell communication, CellBRIDGE improves cross-snapshot couplings and downstream trajectory estimates across synthetic and real scRNA-seq datasets relative to feature-only baselines. Notably, CellBRIDGE enables mechanistically interpretable in silico perturbations: on lung cancer data, silencing specific ligand-receptor pairs induces trajectory shifts that recapitulate expected effects of targeted pathway inhibition.
Authors: Mustafa Uzun, Mete Erdogan, Cengiz Pehlevan, Alper T. Erdogan
Abstract: We introduce Score Broadcast and Decorrelation (SBD), a principled framework for broadcast-based credit assignment for general families of differentiable losses. Error broadcast is a biologically plausible alternative to backpropagation that sends output information to hidden layers without weight transport. The Error Broadcast and Decorrelation (EBD) framework, recently introduced for the mean-squared-error (MSE) setting, grounded this mechanism in the stochastic orthogonality of optimal estimators, under which the optimal residual is orthogonal to functions of the input. We generalize that foundation by introducing an orthogonality principle between the output score (the gradient of loss with respect to the final-layer output) and hidden-layer activations, which holds whenever the optimal score has conditional mean zero. This single principle unifies broadcast-based credit assignment across the standard differentiable-loss families, including cross-entropy, Bregman divergences, proper scoring rules, and exponential-family negative log-likelihoods. The framework supplies a theoretical grounding for the three-factor learning rule under general losses, with the neuromodulatory factor derived as the broadcast loss score. We derive the cross-entropy case explicitly, characterize the admissible loss class, and introduce a score vector expansion technique that enriches the broadcast signal while preserving the orthogonality framework. Experiments on CIFAR-10 and Tiny ImageNet show that SBD substantially improves over existing broadcast approaches, with score vector expansion delivering further gains. Overall, this work identifies the loss score as the signal to broadcast, supplies the orthogonality theory and theoretical grounding for the three-factor learning rule from neuroscience, and shows how score vector expansion enriches the decorrelation directions of the resulting objective.
Authors: Oleksandr Marchenko Breneur, Adelaide Danilov, Aria Nourbakhsh, Salima Lamsiyah
Abstract: Low-rank adaptation has become a standard method for parameter-efficient fine-tuning of large language models, but even small amounts of unsafe or adversarial fine-tuning data can substantially weaken the safety behavior of aligned models. Existing safety-preserving LoRA methods often rely on hard interventions such as projection, pruning, thresholding, or additional training objectives. While these methods can suppress unsafe update directions, they may also remove task-relevant information or require extra tuning. We introduce CSULoRA, a post-hoc method for correcting trained LoRA adapters through closest safe update estimation. CSULoRA estimates a safety-aligned subspace from the weight displacement between a safety-aligned model and its corresponding base checkpoint. It then decomposes each LoRA update into fully aligned, partially aligned, and off-subspace components. Instead of discarding components outside the estimated safety subspace, CSULoRA solves a closed-form penalized minimum-change problem that preserves the fully aligned component while smoothly attenuating potentially unsafe directions according to their relative energy. In adversarial fine-tuning experiments, CSULoRA substantially reduces attack success rate while preserving most of the utility gains obtained from standard LoRA fine-tuning.
Authors: Marta Aparicio Rodriguez, Anastasia Borovykh, Grigorios A. Pavliotis, Daniel J. Korchinski
Abstract: Generative models have a persistent limitation: their tendency to memorize training data can create legal liabilities and erode creative diversity. Understanding which samples are memorized in whole or in part, and under what conditions, therefore remains an important open problem. Here we answer the question "Are atypical or rare samples memorized first?" in the negative. We train diffusion models on strings generated according to the production rules of the Random Hierarchy Model (RHM), and find that samples composed of common substrings are preferentially memorized. This holds true even if the training data consists of entirely unique samples, indicating that deduplication at the data point level does not provide a meaningful privacy guarantee. Correspondingly we predict, then observe, delayed memorization for fat-tailed datasets (i.e., those with more atypical samples). This effect is amplified when fat-tails are introduced into high-level production rules. These together suggest that dataset diversity, particularly at higher levels of abstraction, plays an important role in staving off memorization. Finally, we identify an intermediate regime of partial memorization in which common substrings are learned first and subsequently overproduced during generation. If training is stopped in this regime, models will exhibit the reversion-to-the-mean blandness often derided as "slop".
Authors: Sharan Vaswani, Yifan Sun, Reza Babanezhad
Abstract: Recent work has analyzed the convergence of first-order methods under non-uniform smoothness assumptions that better model the loss landscape in machine learning tasks. We generalize this assumption to objectives whose curvature is an affine function of the objective value. This property is satisfied by a broad class of problems, including logistic regression, generalized linear models with a logistic link function, softmax policy gradient in reinforcement learning, and a class of neural networks. Under this assumption and gradient domination conditions, we establish a general convergence rate for the steepest descent method, and deterministic, diagonal variants of RMSProp and Adam. Our results imply that for logistic regression on separable data and the softmax policy gradient objective, sign GD converges linearly and is provably faster than GD. Furthermore, we show that for a class of two-layer neural networks on separable data, RMSProp and Adam can converge at a linear rate with a constant step-size and momentum parameter. Finally, we present a lower bound demonstrating that, under our assumption, RMSProp and Adam are provably faster than AdaGrad, AMSGrad, gradient descent, and heavy-ball momentum.
Authors: Tianrun Yu, Kaixiang Zhao, Chih-Chun Chen, Amanda Hughes, Taylor W. Killian, Fenglong Ma, Weitong Zhang, Porter Jenkins
Abstract: We study trajectory selection for reasoning distillation, where teacher-generated reasoning trajectories are selectively used as supervision for a student model. Existing methods rely on heuristics such as trajectory quality or model confidence, but they often overlook whether a trajectory is learnable by the student. In this paper, we present LARK, a learnability-grounded method for reasoning trajectory selection. LARK selects trajectories that the student can learn efficiently while preserving the generalization of the full training distribution. At the core of LARK is a learnability factor $\rho$, which characterizes the rate at which the student's training loss decreases. To estimate this rate efficiently and maintain generalization, we introduce a learnability proxy and a $\chi^2$-regularized selection policy that balances learnability and distributional coverage, both with strong theoretical guarantees on their estimation error. Empirically, LARK consistently outperforms data selection baselines across multiple base models and reasoning tasks. Diagnostic analyses show that the LARK score predicts downstream training utility and that LARK-selected trajectories induce faster supervised fine-tuning loss reduction. Our code is available at https://github.com/Tianrun-Yu/LARK.
Authors: Yujin Jeong (Mike), Noelle Jung (Mike), Brian Y. C. Leung (Mike)
Abstract: Traditional multi-modal financial forecasting often relies on scalar sentiment scores, which fail to capture the nuances of financial news. To address this information loss, this paper explores high-dimensional representation learning by replacing discrete polarity ratings with dense FinBERT embeddings within a Transformer-based forecasting architecture. We benchmarked various embedding strategies on the FNSPID dataset, including raw embeddings, attention-weighted aggregation, and a custom Siamese network. While the attention-based mechanism struggled with the low signal-to-noise ratio typical of financial data, the integration of Siamese-optimized embeddings outperformed both the scalar baseline and raw embedding approaches, demonstrating that preserving high-dimensional narrative context yields improved predictive accuracy for short-term stock price movements.
Authors: Mahsa Bastankhah, Sophie Broderick, Benjamin Eysenbach
Abstract: In many practical reinforcement learning environments, observations are far higher-dimensional than the variables that matter for control. In this work, we ask: can we learn representations that capture only control-relevant features of the environment? We study this question through the empowerment objective, which maximizes an agent's influence over the environment and is widely used for unsupervised skill learning. We show that empowerment agents induce two distinct representations -- forward and backward -- that capture complementary aspects of the state, and both of which are invariant to control-irrelevant features. Thus, empowerment maximization leads agents to learn an implicit, control-centric model of the world. Our analysis highlights the importance of learning representations through interaction rather than from passive datasets: interaction aimed at maximizing control is essential for learning useful invariance properties, a perspective that aligns closely with the causal learning literature.
Authors: Anya Singh, Cabrel Happi, Jai Relan, Varun Nair, Vidyut Baradwaj
Abstract: Test-time scaling for vision-language-action (VLA) policies, methods such as RoboMonkey, SEAL, MG-Select, and V-GPS, samples K candidate action chunks at inference and executes the verifier-best. When all K candidates are unsafe, the system executes a violating action with no warning. We propose BOKBO, the first conformal abstention layer for K-sample VLA inference, providing finite-sample distribution-free guarantees on executed-violation rate. We provide both global and per-task (Mondrian) variants, with the per-task variant closing the conditional gap on the hardest tasks. Our analysis exposes a structural failure of policy-internal nonconformity scores under perturbation-based K-sampling: the base-policy confidence proxy and K-sample disagreement correlate at 0.98 with the action-noise hyperparameter $\sigma$, while correlating at the noise floor with actual safety violations. We test the failure's scope by replicating the analysis under token-level temperature sampling and find the failure is mechanism-specific and partially mitigated under policy-stochasticity-based sampling. A learned violation predictor conditioned on semantic visual features and task identity supports tight calibration: at $\epsilon$ = 0.05 on libero_object_temp_x0.1 with OpenVLA-OFT, the conditional CRC bound holds on 86% of bootstrap splits with 78% coverage and 70% net task success. Mondrian-BOKBO raises the minimum per-task conditional hold fraction from 0.71 to 0.93. Results are stable across 5 training seeds, replicate within bootstrap noise on $\pi_0$-FAST, hold on libero_spatial_temp_x0.1 as a co-equal benchmark, and survive four within-suite distribution shifts. We additionally identify and correct a methodological pitfall: globally-set force thresholds well below expert-typical manipulation forces conflate unsafe behavior with normal manipulation, inflating violation rates by $5\times$.
Authors: Luz Stefani Sotomayor Valenzuela, Susanna Cramb, Darren Wraith
Abstract: Spatio-temporal graph-based models have typically been used to forecast new cases of infectious diseases such as COVID-19 and chickenpox outbreaks. However, the use of stochastic modelling into their learning process has been surprisingly under-investigated and rarely considered entire data sets of large countries. As a result, it is unknown whether these models would provide accurate forecasts in real-world disease spread scenarios. In this work, we propose a spatio-temporal stochastic graph-based architecture that integrates a stochastic formulation and uncertainty approximation process to forecast new infectious disease cases. We find that our approach can adapt to encode large and small population geographical networks within a single model architecture. Using two real-world data sets, COVID-19 in the US and chickenpox in Hungary, we report an enhanced effect of the proposed architecture across predictions of the 2022 first wave for COVID-19 in the US and comparative results of chickenpox waves during 2012-2014 in Hungary. By benchmarking with four spatio-temporal graph-based models, quantitative results show competitive overall weekly performance of the proposed approach on forecasting new cases for all 3,218 US counties and all 20 Hungary counties. The proposed approach can represent overall epidemic progression relative to baselines, though with a one-step delay; while exhibiting a reduced sensitivity to high-frequency and low-amplitude variability.
Authors: Sridhar Mahadevan
Abstract: Many theories of decision making -- planning, reinforcement learning, causal intervention, online learning, and game-theoretic equilibrium -- turn local information into globally coherent behavior. This paper proposes a common categorical formulation: a Universal Decision Learner (UDL) extends a partially specified decision functor from observed contexts to new contexts by a pair of universal constructions. Left Kan extensions express rollout, aggregation, and candidate generation; right Kan extensions express consistency, constraint satisfaction, and fixed-point semantics. The central claim is not that every decision problem has the same algorithm, but that many decision formalisms instantiate the same universal problem: extend local behavioral data canonically, then characterize the globally coherent extensions. We give the abstract UDL construction, prove its universal comparison property, define Kan-invariant behavioral equivalence and minimal abstractions, and show how Bellman equations, planning recursions, causal interventions, online regret, and equilibria arise as special cases. The supplementary material develops the reinforcement-learning specialization in more detail.
Authors: Erick O. Rodrigues, Jose Viterbo, Aura Conci, Trueman Mac Henry
Abstract: This work proposes a context-aware middleware for medical workflow organization and efficiency improvement. In hospitals, laboratories and teleradiology companies, each physician or technician is specialized in a specific kind of diagnosis or analysis. Therefore, certain types of medical images are often forwarded to a certain physician or a certain group. This forwarding is time consuming. That is, repeatedly deciding who would be the best physician, whether he is available at a certain moment given a certain context is exhaustive and may be very inefficient. Thus, the proposed middleware has the ability to process and collect data from images analyzed by each medical staff. Based on the collected data and current clinical context, the middleware is able to infer who would be the best fit staff to receive a certain incoming medical image.
Authors: Yijie Tong, Yifan Hou, Shaobo Cui, Antoine Bosselut, Mrinmaya Sachan
Abstract: Test-time compute (TTC) strategies have emerged as a lightweight approach to boost reasoning in large language models (LLMs). However, their application and benefits for vision-language models (VLMs) remain underexplored. We present a systematic study of TTC across seven VLMs and six benchmarks, specifically analyzing feature-based scoring and majority voting methods. We find that feature heuristics fail and voting yields only modest gains in single-model settings. We theoretically show that this limitation stems from a lack of prediction diversity: when outputs are highly correlated, voting provides little benefit. In contrast, multi-model ensembles offer richer diversity, yet standard majority voting fails to account for varying model capabilities. To address this, we propose Entropy-based TTC (ETTC), which selects the most confident prediction based on predictive entropy. Our method reduces to majority voting in the single-model case, but in model ensembles, it leverages confidence disparities to prioritize stronger models. We prove that ETTC outperforms majority voting under mild assumptions and empirically demonstrate that it consistently surpasses both voting and the best individual model. Crucially, our results show that smaller models can synergistically enhance larger ones, unlocking ensembling gains not achievable with standard strategies.
Authors: Stephane Hatgis-Kessell, Emma Brunskill
Abstract: We study when large language models (LLMs) can serve as effective black-box policy optimizers for reinforcement learning (RL) tasks, i.e., when can we replace classical RL algorithms with an LLM? We explore this question by introducing Prompted Policy Optimization (PromptPO), an iterative method that prompts an LLM with Python descriptions of the state space, action space, and reward function, then has it generate and refine executable policies based on rollout feedback. Across hard exploration environments, Meta-World robotics tasks, and several real-world control problems, PromptPO often matches or exceeds the performance of standard RL baselines while using substantially fewer environment interactions. To maximize expected return, and without further explicit prompting, the policies PromptPO outputs range from tuned proportional controllers or rule-based plans to policies that run planning algorithms like value iteration. Our results demonstrate that LLM-based policy optimization is sufficient when the LLM can leverage prior knowledge about the environment or optimization strategy. PromptPO underperforms standard RL baselines in MuJoCo domains. This demonstrates possible limitations of LLM-based policy optimization to settings that requiring fine-grained continuous control.
Authors: Sahaj Raj Malla
Abstract: Forecasting agricultural commodity prices in emerging economies is difficult due to high volatility, frequent supply disruptions, and strong cultural influences on demand. This study introduces the Kalimati Vegetable Price Index (KVPI), a new inverse-volatility weighted composite index that aggregates 135 daily wholesale commodities from Kathmandu over ten years (2013-2023). By creating a stable macro-level signal, the KVPI reduces the noise inherent in modelling individual crops. A rich set of 64 causally valid features was developed, including festival lead-lag effects, rolling statistics, and calendar variables. Fourteen forecasting models spanning statistical, tree-based, deep learning, hybrid, and transformer architectures were rigorously evaluated across short (7-day), medium (14- and 30-day), and long-term (90-day) horizons. Tree-based ensembles proved notably robust, while classical statistical models and complex transformers struggled with the noisy dataset. The proposed Momentum-Corrected Online Stacking Ensemble achieved the strongest performance, yielding a Root Mean Square Error (RMSE) of 1.771, an exceptionally low Mean Absolute Percentage Error (MAPE) of 0.68%, and explaining 84.5% of the variance (R-squared = 0.845) at the 90-day horizon. This open-source pipeline provides policymakers and supply chain actors in Nepal and similar markets with a practical, reliable tool for anticipating price movements and strengthening food security.
Authors: Jun Hu
Abstract: We propose CerT-MCMC, a framework that equips learned-transport Markov chain Monte Carlo with automatic, rigorous convergence certificates. A normalising flow maps a Gaussian reference to an approximation of the target posterior; the same flow then serves as both the independence Metropolis-Hastings proposal and the basis for a computable spectral-gap bound. We develop two complementary certificates. The covering certificate bounds the weight-ratio oscillation over the full proposal support via finite-sample covering arguments, yielding full-support spectral-gap bounds when a conservative gradient bound is available; its correction term scales as O(n^{-1/D}), making it rapidly weak and eventually vacuous as dimension increases. We prove a matching Omega(n^{-1/D}) lower bound, establishing that this barrier is intrinsic to pointwise Lipschitz certification. The quantile-core certificate restricts attention to a high-probability residual core on which the oscillation is controlled by one-dimensional empirical quantiles, with a finite-sample probability slack of O(n^{-1/2}), independent of the ambient dimension. On synthetic targets (D=2-20), structural-engineering posteriors (D=6,8), real-data logistic regression on the Heart Disease data set (D=13), and synthetic Bayesian logistic regression (D=20), the quantile-core certificate delivers non-vacuous spectral-gap bounds where the covering certificate is vacuous, and its spectral-gap proxy tracks empirical effective sample sizes within 7%. A negative control experiment confirms that the certificate discriminates flow quality by a factor exceeding 10x, whereas acceptance rates differ by only 1.15x. To our knowledge, the dual-certificate framework is the first to provide automatic, dimension-aware convergence certificates for learned-transport MCMC, distinguishing genuine transport failure from proof-technique limitations.
Authors: Aditya K Kamath, Arvind Krishnamurthy, Marco Canini, Simon Peter
Abstract: Machine learning (ML) training and inference often process data sets far exceeding GPU memory capacity, forcing them to rely on PCIe for on-demand tensor transfers, causing critical transfer bottlenecks. Lossy compression has been proposed to relieve bottlenecks but introduces workload-dependent accuracy loss, making it complex or even prohibitive to use in existing ML deployments. We explore lossless compression as an alternative that avoids this deployment complexity. We identify where lossless compression can be integrated into ML pipelines while minimizing interference with GPU execution. Based on our findings, we introduce Invariant Bit Packing (IBP), a novel lossless compression algorithm designed to minimize data transfer time for ML. IBP identifies and eliminates invariant bits across groups of tensors, improving throughput through GPU-optimized decompression that leverages warp parallelism, low-overhead bit operations, and asynchronous PCIe transfers. We provide easy-to-use APIs, showcasing them by adding IBP support to GNN training, as well as DLRM and LLM inference frameworks. IBP achieves, on average, 74% faster GNN training, 180% faster DLRM embedding lookup, and 24% faster LLM inference.
Authors: Inwon Kang, Kavitha Srinivas, Nandana Mihindukulasooriya, Sola Shirai, Parikshit Ram, Horst Samulowitz, Oshani Seneviratne
Abstract: Schema matching is a fundamental step in integrating heterogeneous data sources. While Pre-trained Language Models (PLMs) have revolutionized this task by capturing linguistic semantics, they typically process tabular data as serialized text sequences of standalone column descriptions. This serialization discards critical structural information -- specifically, the row-level co-occurrences, i.e. the relational context -- forcing models to rely solely on column header semantics or standalone distributions. To bridge this gap, we propose SemStruct, a framework that joins the semantic power of frozen PLMs with the structural inductive bias of Graph Neural Networks (GNNs). We model the table as a heterogeneous graph where columns and values are nodes connected by rows, allowing the GNN to propagate disambiguating context across the structure. Unlike other state-of-the-art methods that require proprietary LLM access and fine-tuning of language models, SemStruct keeps the language model frozen and trains only a lightweight structural encoder. Extensive experiments on the Valentine and SOTAB-SM benchmarks demonstrate that SemStruct achieves state-of-the-art performance, outperforming fully fine-tuned baselines on complex, semantically joinable datasets. Furthermore, our ablation studies reveal that row representations serve primarily as topological conduits rather than semantic entities, validating the necessity of explicit structural modeling in schema matching.
Authors: Olivier Kanamugire, Kerol Djoumessi
Abstract: Malaria remains a leading cause of mortality in sub-Saharan Africa, where scarce diagnostic infrastructure makes timely, accurate diagnosis particularly challenging. While deep learning offers a compelling path toward automated malaria screening, clinical adoption is hindered by computational cost and opacity in decision-making. This work benchmarks four deep learning models spanning a wide range of designed design architectures and model capacities on the NLM-Malaria dataset, jointly evaluating predictive performance, robustness, and post-hoc explainability. We find that lightweight, efficient-by-design models match their heavier counterparts in predictive performance, and the Friedman test confirms no statistically significant performance differences. CAM-based XAI methods consistently localize diagnostically relevant regions, while fine-grained attribution methods produce less targeted explanations, particularly with heavier backbones. Robustness evaluation under three types of image corruption further reveals that model confidence degrades faster than accuracy, providing a practical signal for human review. However, no XAI method is robust to corruption, with explanation reliability degrading at noise levels plausible in clinical practice, even when predictions remain accurate. These findings support the deployment of lightweight architectures for malaria diagnosis in resource-constrained settings, while highlighting the vulnerability of post-hoc explanations as an important consideration for responsible clinical deployment.
Authors: Zhenghua Bao, Fengya Tian, Chris Zhang, Zhenjun Chen, Xile Ma, Yi Shi
Abstract: The rapid development of large language models, each with distinct capabilities and inference costs, raises a practical deployment question: given an incoming request, which model should handle it? We present OrcaRouter, a production-oriented LLM router that combines a LinUCB-based contextual bandit over lexical and sentence-embedding features with a hybrid offline-online learning protocol. Offline, OrcaRouter obtains full-information feedback by evaluating each candidate model on a curated set of routing prompts, yielding a reward matrix used to fit one ridge regressor per arm. At deployment time, it initializes from these parameters and can optionally continue learning from bandit feedback, updating only the selected model's arm after observing its reward. At the time of our RouterArena submission (May 20, 2026), OrcaRouter-Adaptive ranked second on the public RouterArena leaderboard with an arena score of 72.08, achieving 75.54% accuracy at a cost of USD 1.00 per 1,000 queries.
Authors: Sungha Kim, Gawon Lee, Jusuk Lee, Jonghae Park, H. Jin Kim, Daesol Cho
Abstract: Maximum entropy reinforcement learning (MaxEnt-RL) enables robust exploration, yet practical implementations often restrict policies to simple Gaussians. While recent approaches incorporate expressive generative policies via importance-weighted supervised learning, they are prone to importance weight collapse, which limits their scalability in high-dimensional action spaces. Our key insight is to mitigate this limitation by localizing the sampling region, avoiding the weight degeneracy induced by importance sampling over the entire action space. To instantiate this insight, we introduce \textbf{FLAG} (\textbf{F}low policy with \textbf{L}atent-\textbf{A}ugmented \textbf{G}uidance). FLAG augments the state space with a flow latent variable and optimizes a provably consistent proxy MaxEnt-RL objective. We empirically demonstrate that FLAG enables expressive policy optimization with limited importance samples and scales to high-dimensional control tasks. Furthermore, FLAG achieves state-of-the-art performance across challenging benchmarks. Our project webpage: https://flag-rl.github.io/
Authors: Haozhou Zhang
Abstract: Chain-of-thought prompting and looped Transformers both give a fixed model more test-time computation, but they differ in what they remember. Chain-of-thought stores intermediate state in generated tokens that remain in the context, whereas a looped Transformer carries state through recurrent hidden activations. We argue that this persistent mutable memory is a central resource for test-time reasoning. We compare three memory regimes, the compressed latent loop, the full sequence-state loop, and the chain-of-thought scratchpad. Our main result shows that a compressed loop is limited by the size of its recurrent state. Running the loop longer adds computation but does not by itself create a growing scratchpad, so a loop with a small recurrent state remains a small-space reasoner even when run for many steps. Under a standard complexity assumption, such loops cannot decide problems that are P-complete under logspace reductions, whereas polynomial-length chain-of-thought can. The separation is specific to compressed loops, as full sequence-state loops carry state at every input position and live in a memory-rich regime closer to explicit scratchpads. Controlled pointer-chasing and associative-recall sweeps illustrate this memory-budget view, with performance sensitive to whether the persistent-state budget matches the task's working-memory demand.
Authors: Ha Manh Bui, Metod Jazbec, Eric Nalisnick, Anqi Liu
Abstract: Offline-to-Online Reinforcement Learning (O2O-RL) leverages an offline, pre-trained policy to minimize costly online interactions. Although data-efficient, O2O-RL is susceptible to shifts between offline and online distributions. Existing work aims to mitigate the harm of this shift by finetuning the policy on trajectory data sampled from a diffusion model. Inspired by this line of work, we propose DUAL: an efficient \textbf{D}iffusion \textbf{U}ncertainty-\textbf{A}ware framework for offline-to-online reinforcement \textbf{L}earning. DUAL utilizes the prior knowledge of the diffusion model to distill a fast-sampling diffusion actor policy and transition model in the offline phase. DUAL also employs a Laplace approximation and distance transition-state-shift detection, thereby using uncertainty quantification to improve exploration versus exploitation in the online phase. We formally show that our actor loss with the Laplace approximation provides a proxy for a principled estimate of epistemic uncertainty. Empirically, DUAL improves the online expected return over O2O-RL baselines across multiple settings and environments.
Authors: Xixun Lin, Zhiheng Zhou, Zhengyin Zhang, Yancheng Chen, Shuai Zhang, Ge Zhang, Shichao Zhu, Lixin Zou, Chuan Zhou, Peng Zhang, Shirui Pan, Yanan Cao
Abstract: Graph classification is a core task in graph data mining with widespread real-world applications. Recent advances in graph neural networks (GNNs) have led to substantial performance improvements for graph classification. However, existing GNNs are typically forced to make predictions even under high uncertainty or unknown conditions, resulting in unreliable decisions that can severely impact downstream tasks, particularly in safety-critical scenarios. To address this critical limitation, we propose AbstainGNN, a novel and theory-driven framework for graph classification with abstention, which enables GNNs to reject uncertain predictions instead of producing incorrect decisions. Specifically, AbstainGNN explicitly models both the predictive function and the abstention function, allowing for effective utilization of graph structural information. Moreover, unlike existing heuristic abstention methods, we theoretically characterize the trade-off between classification errors and rejection costs from a PAC-Bayesian generalization perspective, and derive a unified learning objective for model optimization. Guided by this theoretical insight, we further develop an efficient two-stage training strategy consisting of predictive function warm-start and abstention function calibration. Extensive experiments on five benchmark datasets show that AbstainGNN outperforms existing abstention methods, achieving superior classification performance under the same rejection rates.
Authors: Yiming Ren, Yiran Xu, Zicheng Lin, Chufan Shi, Yukang Chen, Dingdong Wang, Tianhe Wu, Junjie Wang, Yujiu Yang, Yu Qiao, Ruihang Chu
Abstract: We identify a new dimension for enhancing rollout diversity in Group Relative Policy Optimization (GRPO) for LLMs. While GRPO relies on diverse rollouts, prevailing strategies primarily increase diversity by injecting more token-level randomness, which may introduce step-wise noise and lead to incoherent trajectories. We uncover that smaller models within the same model family inherently exhibit higher policy-level diversity, indicated by their superior pass@k relative to larger counterparts as sample counts increase. Unlike token-level noise, this diversity is temporally correlated, preserves logical consistency, and provides structured exploration signals for gradient estimation. We thus propose S2L-PO (Small-to-Large Policy Optimization), a framework that leverages fixed small models as natural explorers to train larger models. To balance exploration and exploitation, we design a progressive annealing strategy that transitions from offline small-model rollouts to the large learner's own sampling. This shift elegantly avoids mid-training performance drops caused by the small model's capacity limits, achieving faster convergence and unlocking a higher performance ceiling. S2L-PO improves accuracy on diverse mathematical reasoning benchmarks (e.g., +8.8% on AIME 24 using a 1.7B explorer to guide the 8B model) while reducing rollout compute.
Authors: Yachen Gao, Xinwei Sun, Yikai Wang, Ye Shi, Jingya Wang, Jianfeng Feng, Yanwei Fu
Abstract: Conditional generative models have recently achieved remarkable success in various applications. However, a suitable metric for evaluating the reliability of these models, which takes into account their inherent uncertainty, is still lacking. Existing metrics, which typically assess a single output, may fail to capture the variability or potential risks in generation. In this paper, we propose a novel evaluation metric called reliability score based on conformal prediction, which measures the worst-case performance within the prediction set at a pre-specified confidence level. However, computing this score is challenging due to the high-dimensional nature of the output space and the nonconvexity of both the metric function and the prediction set. To efficiently compute this score, we introduce Conformal ReLiability (CReL), a framework that can (i) construct the prediction set with desired coverage; and (ii) accurately optimize the reliability score within the constructed prediction set. We provide theoretical results on coverage and demonstrate empirically that our method produces more informative prediction sets than existing approaches. Experiments on synthetic data and the image-to-text and text-to-image tasks further demonstrate the interpretability of our new metric, and the validity and effectiveness of our computational framework. Source code can be found at https://ggc29.github.io/CReL/.
Authors: Brian Ondov, Chia-Hsuan Chang, Weipeng Zhou, Xingjian Zhang, Xueqing Peng, Yutong Xie, Huan He, Qiaozhu Mei, Hua Xu
Abstract: High-dimensional biomedical data, such as cell-by-gene matrices, are increasingly generated temporally. However, Manifold Learning algorithms, like t-SNE and UMAP, cannot incorporate time-ordering in their layouts, obfuscating the dynamics of cell types or other classes. As a solution, we present IRIS, a new Manifold Learning algorithm that structures layouts both chronologically and by manifold topology. IRIS can visualize a wide range of dynamic biomedical data, including scRNA-seq, comparative metagenomics, and literature.
Authors: Ethan Kane Waters, Max Wingfield, Aiden Mellor, Paul Stewart, Iman Tahmasbian
Abstract: Differentiating between oyster species is important for developing new commercial oyster species suited to production systems and is critical for traceability in seafood supply chains. Common methods, such as DNA profiling, are destructive and time consuming. The possibility of using hyperspectral imaging (HSI) for discriminating between Black-Lip rock (BL) and Sydney rock (SR) oysters was investigated. Live BL and SR samples (N = 156) were scanned with a HSI camera (950-2515nm). Partial Least Square Discriminant Analysis and Convolutional Neural Networks were trained with Monte Carlo Cross Validation to distinguish BL and SR oysters from the spectral reflectance of their left and rights valves. The PLS-DA model successfully distinguished between the species from both the left and right valves with a median test set classification accuracy of 100%, out performing the CNN with 83% and 96% respectively. Elemental and mineralogical composition in the surface and cross-section of oyster valves were measured with electron microscopy. Analysis of the right valve revealed a greater number of layers in BL compared to SR (4 vs 2). The concentrations of carbon and oxygen varied in the outer layer of the right valves, with BL being rich in carbon and SR being rich in oxygen. The variation in carbon and oxygen concentrations observed between BL and SR right valves may reflect differences in the relative abundance or composition of chitin and glycoproteins. This is supported by model-derived wavelength importance corresponding to vibrational modes of functional groups characteristic of these compounds. Transmittance analysis revealed that light was transmitted through the valves, around the valve edges, indicating that the spectral signatures may have been influenced by the other valve or the meat. Ultimately, the findings highlight an effective rapid, non-destructive methodology for oyster species.
Authors: Zhichao Han, Mengyi Chen, Qianxiao Li
Abstract: Accurately modeling the macroscopic dynamics of high-dimensional microscopic systems is of broad interest across the sciences. Many data-driven approaches learn a low-dimensional latent state through an autoencoder trained for pointwise input reconstruction. These methods typically assume a fixed ordering of microscopic degrees of freedom in the input. However, in many settings, such as particle systems, the microscopic state is inherently unordered. This motivates an autoencoder framework that learns permutation-invariant latent representations. To this end, we adopt a permutation-invariant encoder and design the decoder to reconstruct the mass distribution centered at the observed points rather than per-sample reconstruction. We then jointly learn the macroscopic dynamics of the observables together with the latent states. We demonstrate the effectiveness and robustness of the proposed method across a range of microscopic settings, including learning the energy dynamics in interacting particle systems, predicting mixing dynamics in Lennard-Jones fluids, and modeling the stretching dynamics from video data of polymers moving in an elongational force field.
Authors: Shervin Khalafi, Alejandro Ribeiro, Dongsheng Ding
Abstract: Unlearning in diffusion models aims to remove undesirable data or concepts while preserving the utility of pretrained models -- two fundamentally conflicting objectives. We propose a principled constrained optimization framework that formulates unlearning as minimizing the deviation from a pretrained model, subject to explicit separation constraints from the unlearning distributions. Specifically, we formulate three constrained optimization problems based on reverse and forward KL divergences, and likelihood constraints. The first two generalize existing approaches for concept and data unlearning, while the third offers a novel and natural formulation for unlearning. Despite the nonconvexity of the KL constraints, we establish strong duality for all three problems, enabling us to explicitly characterize their optimal solutions as unlearning targets and develop primal-dual algorithms for each formulation. Experimental results demonstrate that our KL-constrained approach achieves superior retention-unlearning tradeoffs compared to weight-based baselines for concept and data unlearning, and that our likelihood-based approach matches unlearning effectiveness while better preserving retained concepts compared to baselines.
Authors: Snigdha Chandan Khilar
Abstract: Recent SVD based compression methods for large language models like SVD LLM and Basis Sharing can be unified under one optimization problem. While mathematical proofs and tests on Pythia models show this unified approach improves weight reconstruction error by up to 46% percent it fails in practical tasks. Downstream metrics like perplexity and accuracy severely degrade compared to standard per layer SVD LLM. The authors explain this failure mechanistically. Although the bundle method mathematically couples adjacent layers the transformer residual stream actually decouples them during forward passes. Thus per layer optimality matters more than joint cross layer optimization. The paper concludes that weight space reconstruction is a flawed objective for cross layer compression and future methods must focus on per layer activation reconstruction instead.
Authors: Yuwei Zhang, Chengyu Dong, Shuowei Jin, Changlong Yu, Hejie Cui, Hongye Jin, Xinyang Zhang, Hamed Bonab, Colin Lockard, Jianshu Chen, Zhenyu Shi, Jingbo Shang, Xian Li, Bing Yin
Abstract: Context management enables agentic models to solve long-horizon tasks through iterative summarization of previous interaction histories. However, this process typically incurs substantial decoding overhead for the extra summarization tokens, which significantly affect the end-to-end response latency at deployment. In this paper, we introduce CoMem, a novel framework that decouples memory management from the primary agent workflow, enabling these processes to execute in parallel. We propose a $k$-step-off asynchronous pipeline that overlaps the memory model's summarization with the agent's inference, effectively masking the latency of context processing. To ensure robustness under this asynchronous setting, we introduce a reward-driven training strategy that aligns the memory model to capture sufficient statistics for the agent's decision-making. Theoretical analysis confirms that CoMem offers a superior efficiency-effectiveness trade-off compared to coupled architectures. Our extensive experimental results on SWE-Bench-Verified show that CoMem provides 1.4x latency improvements upon vanilla long-context solutions while preserving most of the performance. Furthermore, we demonstrate that these latency gains scale favorably with increased system throughput, offering a modular path forward for the independent optimization of agent reasoning and memory compression.
Authors: Enoch Hyunwook Kang
Abstract: In the forward reinforcement-learning problem, the reward is fixed and known; the learner is asked to find a good policy or value function. Here we turn the question around. Given offline data generated by an expert, can we recover the reward the expert was optimizing? This is the inverse reinforcement learning problem, and remarkably, two communities, structural econometricians studying dynamic discrete choice (DDC) and machine learners studying entropy-regularized IRL, have been working on exactly the same probabilistic model under different names. We begin by proving their equivalence. We then develop the classical identification result of Magnac and Thesmar and the classical computational paradigms that grew out of it: Rust's nested fixed-point algorithm, the conditional-choice-probability approach of Hotz and Miller, and the two temporal-difference approaches of Adusumilli and Eckardt: linear semi-gradient TD and approximate value iteration. Each route has its limits: dimensionality, transition-kernel estimation, the deadly triad, or projected fixed-point bias. We then walk through the modern ML/IRL strand: adversarial IRL, occupancy matching, IQ-Learn, and offline ML-IRL, deriving each method's actual objective and stating precisely what it does and does not identify. We close with the empirical-risk-minimization framework of Kang et al., which yields a gradient-based estimator for offline IRL/DDC.
Authors: Yurui Chang, Yongkang Du, Yuanpu Cao, Jinghui Chen, Lu Lin
Abstract: Agentic forecasting is important for decision-making in dynamic environments, but it remains challenging because agents must reason from incomplete, time-limited evidence and produce calibrated probabilities before outcomes are resolved. Memory provides a natural mechanism for transferring experience from resolved forecasts to future prediction tasks. However, existing agent-memory methods are not tailored to forecasting, as they typically store past interactions, reflections, or factual associations without explicitly representing reusable predictive factors or calibration knowledge. We propose ForecastCompass (FoCo), an adaptive factor-based memory framework for agentic forecasting. FoCo organizes forecasting experience with a hierarchical forecasting-task taxonomy, enabling retrieval task-relevant forecasting knowledge. It maintains two complementary memory components: factor memory, which captures reusable predictive dimensions, and reasoning memory, which encodes probability updating, uncertainty handling, and calibration principles. Using retrospective analyses as learning signals, FoCo iteratively revises memory through a verbalized memory-revision procedure, enabling the agent to accumulate transferable forecasting knowledge over time. Experiments on Prophet Arena and FutureX with GPT-5-mini and Gemini-2.5-Flash show that FoCo improves both probabilistic accuracy and calibration.
Authors: Yujie Wang, Siwei Chen, Longzan Luo, Xinyi Liu, Xupeng Miao, Fangcheng Fu, Bin Cui
Abstract: Reinforcement Learning (RL) has become pivotal for improving model capabilities yet suffers from rollout efficiency bottlenecks due to the long-tail response length distribution. While existing works mitigate the impact of long tails via prompt-level tail scheduling, we focus on the root source of inefficiency: the distribution itself. Specifically, we characterize the long-tail distribution at a finer granularity, identifying intra-prompt long tails, and revealing that they frequently consist of ineffective verbosity. To address this, we propose a novel paradigm of active distribution shaping to shape the rollout distribution towards conciseness and certainty, thereby fundamentally resolving tail-induced overheads. We achieve this through a distribution-aware trajectory sampling mechanism, which selects trajectories from a redundant exploration space for each prompt, and an adaptive redundancy allocation scheme to maximize both shaping effectiveness and system efficiency. Experiments demonstrate significant acceleration over state-of-the-art systems by up to 1.77x without compromising model performance.
Authors: Zechen Li, Keerthana Natarajan, Weizhi Zhang, Menglian Zhou, Simon A. Lee, Yuwei Zhang, Maxwell A. Xu, Zeinab Esmaeilpour, Flora D. Salim, Mark Malhotra, Lindsey Sunden, Shwetak Patel, Yuzhe Yang, Ahmed A. Metwally
Abstract: Continuous glucose monitoring (CGM) provides a dense view of daily metabolic physiology, yet existing generic time-series and CGM-specific foundation models often encode glucose traces as entangled single-stream sequences, leaving the distinct temporal structure of glycemic dynamics only implicitly modeled. We present GlucoFM, a lightweight CGM foundation model that aligns irregular recordings to a 24-hour chronological grid, preserves observation masks, and decomposes glucose dynamics into slow physiological state and transient event streams, capturing low-frequency glycemic baselines and short-term deviations that may reflect acute physiological responses or sensor artifacts. GlucoFM is pretrained on 109,066 hours of unlabeled CGM recordings from 477 subjects with two complementary objectives: masked contextual latent prediction over fused daily representations and temporal dynamics prediction over state and event streams. Across four diverse cohorts and seven clinical prediction tasks, GlucoFM achieves the strongest subject-disjoint linear-probing performance among evaluated baselines, improving average PR-AUC by 4.1 points over the best CGM-specific foundation model. Its gains are most pronounced on core metabolic outcomes, leading PR-AUC on all diabetes-risk and $\beta$-cell dysfunction tasks and on 3 of 4 insulin-resistance tasks. GlucoFM also achieves the best overall cross-dataset transfer performance and strong few-shot adaptation among evaluated methods, and consistent gains when aggregating multiple days for subject-level prediction, highlighting physiology-aware decomposition as an effective inductive bias for transferable CGM representation learning.
Authors: Jabin Koo, Hoyoung Kim, Minwoo Jang, Jungseul Ok
Abstract: Federated Learning (FL) offers a privacy-preserving pathway for aligning Large Language Models (LLMs); however, existing frameworks typically enforce a monolithic reward model, inevitably averaging out inherently conflicting user preferences (e.g., helpfulness vs. harmlessness). While Variational Preference Learning (VPL) offers a pathway to personalization, adapting it to decentralized settings presents a fundamental challenge: posterior collapse driven by severe local data scarcity and heterogeneity. In this paper, we propose Federated Variational Preference Alignment with Gumbel-Softmax Prior (FedVPA-GP), a framework designed to disentangle diverse preferences without compromising privacy. To stabilize variational inference, we introduce a Federated Mixture Prior that enables clients to leverage the aggregate population distribution as a dynamic prior. Furthermore, we incorporate an Orthogonal Loss that explicitly enforces the separation of preference prototypes in the latent space. Experiments on the HH-RLHF dataset demonstrate that FedVPA-GP significantly outperforms monolithic baselines, successfully disentangling conflicting user intents and enabling dynamic preference switching.
Authors: Kangmin Kim, Jaeyoung Song
Abstract: We consider a federated learning (FL) system in which Industrial Internet-of-Things (IIoT) devices collaboratively train a global model over wireless channels without sharing local data. In such systems, communication time is a primary bottleneck that constrains overall training efficiency. Unlike conventional networks that prioritize individual quality-of-service requirements, FL systems collectively aim to converge to an optimal global model as efficiently as possible, which calls for a fundamentally different approach to bandwidth allocation. In this paper, we propose a novel bandwidth allocation policy that exploits the heterogeneity of device computing capabilities to minimize total training time. Rather than distributing bandwidth among all selected devices simultaneously, the proposed policy partitions the participating devices into ordered subsets and sequentially grants each subset exclusive access to the full bandwidth. We formally prove that this partitioning-based policy achieves a strictly lower training time than any bandwidth allocation scheme without partitioning, irrespective of the underlying scheduling algorithm. Furthermore, by reducing per-device transmission duration, the proposed policy also minimizes uplink energy consumption, which is particularly beneficial for battery-constrained IIoT devices. Extensive experiments on real-world datasets - including GC10-Det, an industrial surface defect benchmark, and CIFAR-10, a standard image classification benchmark - demonstrate that the proposed policy consistently reduces training time and energy consumption compared to existing bandwidth allocation schemes, approaching the theoretical lower bound on round time.
Authors: Nishant Kumar, Enrique Areyan Viqueira, Amy Greenwald
Abstract: Bidding in repeated auctions is a central challenge for reinforcement learning (RL), combining continuous control with the strategic complexities of digital advertising. While policy gradient and value-based methods seem well-suited for these settings, they often struggle with the discontinuous, "cliff-like" nature of auction reward landscapes. In a first-price auction, for example, a bidder receives zero reward until they cross a specific threshold, after which the reward decreases as the bid increases. This creates a landscape of flat, zero-reward regions separated by sharp boundaries. We identify a fundamental failure mode in this setting termed "zero collapse." We show that stochastic exploration and gradient-based updates can cause policies to overshoot optimal high-reward regions and enter flat, zero-reward regimes. Once there, the lack of an informative gradient signal makes recovery extremely sample-inefficient, effectively trapping the agent. We find that actor-critic methods are particularly susceptible, as biased value estimates can accelerate this movement toward unstable regions. Our contributions include: (1) a mechanistic explanation of how discontinuous rewards lead to vanishing signals and zero collapse; (2) an analysis of the interaction between policy stochasticity and step size; and (3) an empirical demonstration of this phenomenon across REINFORCE and actor-critic variants. We propose practical mitigation strategies involving initialization and architectural choices to improve stability. Finally, we introduce a formal RL framework for auction environments highlighting their unique structural properties.
Authors: Jun Tan, Qing Guo, Zicheng Xu, Jinglin Li, Qi Fang, Ning Gui
Abstract: Counterfactual explanations (CEs) are essential for actionable recourse, yet their reliability is often compromised in low-density regions, where classifiers exhibit high variance. Unlike existing methods that rely on expensive ensemble intersections to define stability, we propose \textit{DensityFlow}, a generative framework that constructs robust CEs by adhering to the high-confidence data manifold. Specifically, we model the counterfactual generation as continuous-time dynamics parameterized by Neural ODE, guided by a differentiable density score to actively avoid uncertain, low-density areas. This density score is learned via Noise Contrastive Estimation, effectively leveraging a $(K{+}1)$-way discriminator to estimate density ratios. For black-box settings, we introduce a local proxy distillation mechanism that aligns a lightweight surrogate with the target model strictly within the trajectory of CE generation, enabling efficient gradient-based optimization with minimal queries. Experiments demonstrate that \textit{DensityFlow} achieves superior validity under model multiplicity while significantly reducing query costs compared to ensemble-based baselines. Our implementation is available at https://github.com/G-AILab/DensityFlow.
Authors: Kihyun Kim, Shripad Deshmukh, Nikos Vlassis, Jiawei Zhang
Abstract: Inverse reinforcement learning (IRL) typically assumes demonstrations from a single optimal demonstrator, but in many applications data come from multiple imperfect demonstrators with heterogeneous suboptimality levels. We study reward learning in this setting through a feasible-reward-set framework: for each demonstrator, we encode its declared suboptimality level as a linear constraint and intersect the resulting feasible sets across demonstrators. Our theoretical analysis shows that the joint feasible set shrinks monotonically as data are added, and we give an exact characterization of when a new demonstrator strictly tightens it. We further establish two recovery guarantees for the feasible reward set of the ground-truth optimal demonstrator: one bound depends on closeness to the optimal occupancy, while the other requires only sufficient coverage and no near-optimal demonstrator. On the practical side, we introduce strategies to address the inherent reward ambiguity in the obtained reward set and provide an offline algorithm with function approximation for high-dimensional environments. Experiments in tabular grid-world and large language model (LLM) fine-tuning settings are consistent with the theoretical predictions and demonstrate the effectiveness of the proposed framework over baselines.
Authors: Nigel T. Andersen, Takashi Matsubara
Abstract: Physics-Informed Neural Networks (PINNs) are a common class of machine learning-based partial differential equation (PDE) solvers which train a network to represent a solution by minimizing a residual loss that encodes the PDE. Despite their successes, they are known to fail on certain simple equations, converging to an incorrect solution despite low loss. These failure modes have garnered significant attention in the literature over the past several years, motivating both architectural and optimization based solutions. By directly visualizing the residual, we show that failure modes are the result of overfitting: the loss is minimized on the collocation points, but not elsewhere. Applying regularization causes the failure modes to vanish. Finally, we extend double backpropagation over the full set of residuals, and use it to achieve state-of-the-art performance on four standard failure mode equations with up to $23\times$ fewer collocation points and a vanilla architecture.
Authors: Max Tan
Abstract: Automated formal verification remains challenging for large language models because data for proof assistants and verification-aware languages is scarce, and correctness depends on satisfying precise machine-checkable specifications rather than producing plausible code. This thesis studies how verifier environments can improve LLM generation of verified programs and proofs through reinforcement learning from verifiable rewards (RLVR) and verifier-guided inference-time search. First, we train open-source models in Dafny with RLVR using Group Relative Policy Optimization (GRPO) and related variants, assembling generated candidates into complete programs and scoring them with compiler and verifier outcomes. Initial experiments on an APPS-derived Dafny dataset increased verified reward from 2.2% to 58.1%, but revealed specification hacking, where models exploit weak formal specifications instead of implementing the intended solutions. After filtering underspecified and vulnerable tasks, multi-turn RLVR on the refined benchmark improves the verified pass rate from 9.7% to 31.1%. Second, we develop a verifier-guided inference scaffold in Lean that treats proof generation as structured search over decomposed subgoals, verifier feedback, diagnostics, and repair. With a fixed base model, the full scaffold with proof reviser improves pass rate on an initial VeriCoding pilot set from 46.2% under direct repair to 69.2%. On the larger VERINA dataset, whole-task decomposition plus proof reviser solves 7 of 42 previously unsolved tasks. We also introduce Dalek-Bench, a repository-scale Lean benchmark derived from the Rust $\texttt{curve25519-dalek}$ verification project; preliminary results remain weak, indicating that stronger progress evaluation and task-specific tool-use policies are still needed.
Authors: Andreas Haupt, Justin Hartenstein, Anka Reuel, Mykel Kochenderfer, Sanmi Koyejo
Abstract: AI benchmarks have well-documented limitations, with prior work examining contamination, saturation, and construct underspecification. Aggregation has received far less attention: benchmarks are typically summarized by uniformly averaging item-level scores, implicitly treating every test item as equally valuable. We model benchmarking as a multitask principal-agent game and show that the welfare loss from a benchmark is determined jointly by three item-level primitives: alignment with normative welfare priorities, marginal improvability, and performance variance. We translate the theory into an audit framework that ranks items along each of these three axes, and apply it to OLMES items using WORKBank for welfare, the EvoLM 4B suite for improvability, and the PolyPythias 410M panel for variance. The framework surfaces items that are Pareto-inferior within OLMES subject to a pro-worker welfare operationalization. All code is available at https://github.com/stair-lab/principal-agent-benchmarks.
URLs: https://github.com/stair-lab/principal-agent-benchmarks.
Authors: Xinyang Lu, Jiabao Pan, Rachael Hwee Ling Sim, See-Kiong Ng, Anthony Kum Hoe Tung, Bryan Kian Hsiang Low
Abstract: The rapid development of large language models (LLMs) has raised concerns on the use of inappropriate data for training, which has led to a growing interest in LLM unlearning. Many existing LLM unlearning approaches rely on optimizing prediction loss(es), such as maximizing the loss on the forget set, but often face critical issues like over-forgetting and poor model utility. To address them, this paper novelly frames the optimization objective for LLM unlearning as one of zeroing out data attribution instead. In particular, we propose the first LLM unlearning framework based on data attribution rewards called DareU that performs reinforcement learning to update the LLM by reducing the attribution score of its generated responses (i.e., de-attributing) to the forget data owners. Empirical evaluation using an LLM classifier as an efficient approximation of attribution shows that DareU outperforms existing baselines by achieving effective unlearning while balancing forget quality and model utility well.
Authors: Shengyu Feng, Tarun Suresh, Yiming Yang
Abstract: Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.
Authors: Jingxing Wang, Vasileios Charisopoulos, Maryam Fazel
Abstract: We study the problem of learning Gaussian mixture models under overparameterization. Prior work has shown that while overparameterization is essential for avoiding spurious local optima and enables global recovery of the ground-truth model using the gradient-EM (expectation-maximization) algorithm, it can dramatically slow down the local rate of convergence. Under certain assumptions on the mixture weights, we show that a standard divergence measure minimized by statistical learning procedures possesses a manifold of slow growth on which the well-known Polyak stepsize reduces the loss geometrically, and design a gradient-based method that converges to minimizers at a locally linear rate. Additionally, we show that our method converges to nearly optimal solutions -- up to a natural misspecification threshold -- for mixtures with arbitrary weights. At a high level, the method alternates between several "short" gradient descent steps that approach the manifold and "long" Polyak steps that contract the distance to minimizers. Our results suggest that slow convergence is not an intrinsic challenge of overparameterization, but can be overcome by exploiting the favorable structure of the loss landscape.
Authors: Jian Xu, Chao Li, Guang Lin, Yuning Qiu, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Two recent results have reshaped quantum Gaussian processes (QGPs). On the one hand, \citet{lowe2025assessing} rule out the exponential speedups claimed by HHL-based QGP regression in the typical, well-conditioned regime; on the other, an independent line of work shows that highly expressive quantum kernels suffer posterior pathologies that break Bayesian optimization. We show that these seemingly unrelated phenomena are governed by the same quantity: the normalized spectral entropy $S(K)/\log n$ of the kernel Gram matrix. We prove a Cauchy--Schwarz tail bound on Nystr\"om approximation error, a finite-sample variance-contraction identity in terms of Bach's degrees of freedom $d_\sigma(K)$, and a characterization of the \emph{target-dependent} optimal entropy via the intrinsic dimension of the target in the kernel eigenbasis. Empirically, the diagnostic is kernel-agnostic: hardware-efficient, matchgate, IQP \emph{and} RBF/Mat\'ern/RFF/deep-kernel families all collapse onto identical $S/\log n$ curves on dequantization, ECE, and variance-contraction panels. The NLL sweet spot lives at high entropy for smooth targets and at low entropy for band-limited quantum-data targets. The diagnostic transfers from simulator to IBM Heron hardware with median absolute error $3.2\%$ and mean $5.2\%$ in $S/\log n$ across $24$ configurations at $n_q = 4$, with matchgate and IQP within $5\%$ mean and a single HE configuration returning a $30\%$ outlier that drops to $0.5\%$ on rerun (attributed to calibration drift); the same diagnostic transfers to a second Heron backend (mean error $2.7\%$) and to a $n_q = 6$ scale-up on the original backend (mean error $1.7\%$). No error mitigation is applied throughout.
Authors: Junbin Qiu, Zhaowei Hong, Renzhe Xu, Yao Shu
Abstract: Accurate Zeroth-Order (ZO) Hessian estimation is a cornerstone of derivative-free methods, essential for tasks such as bilevel optimization, Bayesian inference, and uncertainty quantification. However, obtaining a complete suite of low-variance estimators for the Hessian and its inverse in high-dimensional settings remains a significant challenge. To address this, we propose a unified framework that reinterprets ZO Hessian approximation through the lens of single-step Policy Optimization (PO). This perspective establishes a theoretical equivalence between general ZO Hessian estimators and the Hessian of a smoothed PO objective, unifying distinct classical randomized estimators as specific instances of baseline selection. Building on this foundation, we introduce ZoVH, a comprehensive suite of variance-reduced estimators for the full Hessian matrix, its regularized inverse, and the bias-corrected inverse Hessian-gradient product. ZoVH leverages two key techniques: (1) a unique optimal baseline derived to provably minimize variance, and (2) a query reuse strategy that incorporates historical function queries to enhance sample efficiency without inflating costs. Our rigorous theoretical analysis confirms the unbiasedness of the Hessian estimator, validates the variance optimality of our baseline, provides error bounds for the entire ZoVH suite, and establishes convergence guarantees for the resulting curvature-aware ZO algorithm. Extensive empirical results validate our theoretical findings, demonstrating that ZoVH achieves superior estimation accuracy and convergence performance in real-world applications. Code is available at https://github.com/Qjbtiger/ZoVH
Authors: Myeongjun Oh, Gwangho Kim, Sungyoon Lee
Abstract: Inference-time reward alignment steers pretrained diffusion and flow-based generative models to satisfy user-specified rewards without retraining. Recently, Sequential Monte Carlo (SMC) has emerged as a powerful framework for this task by iteratively filtering and propagating multiple particles. However, we show that standard SMC-based methods often suffer from poor performance because they initialize particles from a standard prior, whereas high-reward regions in complex reward landscapes are extremely rare. Further, we show that even recent reward-aware initial sampling approaches remain vulnerable to getting trapped in local modes, as complex reward landscapes are often multi-modal. To overcome these limitations, we propose PATHS (PArallel Tempering for High-complexity reward Sampling), a novel initialization method that couples multiple sampling chains through parallel tempering. PATHS maintains a ladder of reward-tempered chains and periodically performs Metropolis swaps, enabling efficient exploration across flattened reward landscapes, thereby mitigating the mode-trapping issues. Our analysis reveals that this mechanism substantially enhances the finite-budget exploration of rare, high-reward regions that are typically challenging to sample. Experiments on layout-to-image and quantity-aware generation show that PATHS achieves consistent gains in alignment quality, particularly on complex prompts.
Authors: Giang Do, Hung Le, Truyen Tran
Abstract: Sparse Mixture of Experts (SMoE) architectures improve the training efficiency of Large Language Models (LLMs) by routing input tokens to a selected subset of specialized experts. Despite their remarkable success, both training and inference in SMoE models suffer from the expert collapse issue (Chi et al., 2022), which degrades model performance. Prior studies primarily focus on improving the router; however, such methods rely on training from scratch or fine-tuning, which requires high computational and data-processing costs. Furthermore, we demonstrate that, despite these efforts, the issue persists when advancing well-pretrained SMoE models, as evidenced by both theoretical and empirical results. To fill that gap, we analyze the advanced SMoE models and observe that the eigenvectors of expert weight matrices encode rich semantic information, pointing to an effective alternative to conventional routing strategies. Building on this insight, we propose Singular Value Decomposition SMoE (SSMoE), a novel and training-free framework that leverages spectral properties of the expert weights to address the collapse issue and enhance model performance. Extensive experiments across diverse language and vision tasks, under both clean and corrupt data settings, demonstrate the strong generalization and robustness of SSMoE. Our findings highlight how a deeper understanding of model internals can guide the development of more effective SMoE architectures. Our implementation is publicly available at https://github.com/giangdip2410/SSMoE.
Authors: Jeffrey Seely, Bart{\l}omiej Cupia{\l}, Llion Jones
Abstract: We present a differentiable optimization framework for multi-agent coordination. An input is decomposed into overlapping local views, each processed by an agent that solves a convex subproblem parameterized by a neural encoder. Agents coordinate through the Alternating Direction Method of Multipliers (ADMM) with inter-agent constraints specified by a cellular sheaf. The sheaf specifies which aspects of neighboring solutions must agree, allowing for heterogeneous notions of global consensus. Backpropagating through the unrolled optimization jointly trains all components of the multi-agent system. We evaluate on maze pathfinding, image classification, and Sudoku, where agents with individually insufficient local views learn to coordinate to produce correct global outputs. On MNIST, the local-view decomposition yields improved robustness to distribution shifts relative to a standard CNN. On Sudoku, the optimization-derived structure yields markedly higher solve rates than parameter-matched MPNN baselines. Finally, the ADMM structure exposes distinct primal, consensus, and dual state variables, opening the coordination dynamics to direct analysis and intervention -- a property unavailable in standard message-passing architectures.
Authors: Jyotirmoy Singh, Anushka Roy, Shreea Bose, Chittaranjan Hota
Abstract: Anomaly detection in physiological sensor data from Wireless Body Area Networks (WBANs) can be caused by sensor faults, network disruptions, or missing data, leading to false alarms. Hence, it demands both high predictive accuracy and clinically interpretable explanations. Existing approaches rely either on black-box models that achieve strong performance but offer no transparency, or on post-prediction explanation methods such as SHAP and LIME. In this paper, we propose the Distilled Explanation Model (DEM), a three-stage glass-box framework that distills the non-linear knowledge of a gradient boosting expert into an interpretable decision tree operating on residuals relative to a linear baseline, so that the explanation is not an approximation but the prediction itself. DEM introduces a novel distillation fidelity metric that quantifies how faithfully the explanation tree captures the expert model's non-linear contribution, providing a principled measure of explanation trustworthiness absent from prior interpretable models. Evaluated across four physiological datasets, including MIMIC-IV, WESAD, eICU, and an in-house SmartNet WBAN corpus, DEM achieves an AUC of 0.9964 on clinical contextual anomaly detection and 0.9047 on wearable stress detection while producing human-readable if-then rules at a controllable depth. Inference requires 0.17ms per 1000 samples, rendering DEM 1235x faster than SHAP-based post-hoc explanation and suitable for real-time physiological monitoring. Ablation studies confirm that the XGBoost distillation step provides measurable gains over naive residual fitting, and depth-sensitivity analysis demonstrates an explicit, user-controlled accuracy-interpretability trade-off unique to DEM among existing intrinsically interpretable models.
Authors: Amir Bazzi, David Cardinaux, Ramy Nemer, Jose Alaves, Arjun Kalkur Matpadi Raghavendra, Elie Hachem
Abstract: Learning-based surrogates for partial differential equations have recently matched the accuracy of classical solvers while achieving orders-of-magnitude speedups, predominantly in fluid settings and structured geometries. In contrast, robust surrogates for deformable solids remain underexplored, despite the presence of nonlinear elasticity, plasticity, and transient behavior that challenge standard architectures. We introduce a multigrid graph neural network for solid mechanics that couples an encoder-processor-decoder backbone with a physics-informed coarsening strategy. Instead of downsampling via geometric heuristics, our method scores nodes using a residual-based measure of local physical activity and preferentially retains regions of high strain or stress concentration, allocating multiscale capacity where it is most needed. This preserves long-range interactions through hierarchical message passing while improving stability over long rollouts. We evaluate on multiple datasets covering linear, nonlinear, and transient regimes, and observe consistent gains in accuracy and rollout stability compared to standard sampling baselines. Our results highlight the importance of physics-informed coarsening for scalable surrogate modeling in solid mechanics.
Authors: Nan Mu, Xiaoyang Fan, Chen Zhao
Abstract: Multi-omics data provide complementary molecular characterizations of disease phenotypes and play an important role in disease diagnosis and subtype classification in precision medicine. However, acquiring complete multi-omics profiles is expensive and time-consuming, while most existing deep learning methods assume full modality availability during inference, resulting in substantial redundancy and limited practicality in clinical settings. To address this issue, we propose SDM-Q, a reinforcement learning framework for adaptive and cost-aware multi-omics classification. Specifically, multi-omics diagnosis is reformulated as a finite-horizon sequential decision problem, where the currently acquired omics modalities define the diagnostic state at each stage. An action--value function determines whether to acquire an additional modality or terminate the decision process and output the final prediction. To balance diagnostic utility and acquisition cost, the reward is defined only at the terminal stage and jointly determined by classification correctness and cumulative modality acquisition cost. A backward stage-wise optimization strategy is introduced to improve policy consistency and training stability. Experiments on four public multi-omics datasets, including ROSMAP, LGG, BRCA, and KIPAN, demonstrate that SDM-Q effectively reduces redundant modality acquisition while maintaining competitive classification performance compared with methods using complete multi-omics inputs. In the BRCA and KIPAN datasets, more than 99\% and 95\% of subjects, respectively, achieve accurate classification using only a single omics modality, while the average number of acquired modalities remains below two for ROSMAP and LGG. These results suggest that cost-aware sequential decision-making provides an effective paradigm for improving the efficiency of precision medicine workflows.
Authors: Yulin Hu, Fuyan Ou, Ye Yuan
Abstract: Graph condensation (GC) is pivotal for enabling Graph Neural Networks (GNNs) deployment in resource-constrained scenarios by compressing large-scale graphs into compact synthetic counterparts. Existing GC methods commonly suffer from computational inefficiency due to coupled optimization as well as encountering poor generalization across GNN architectures. To address these challenges, this study proposes an Efficient and Scalable Graph Condensation with Structure-Preserving (SP-ESGC), which possesses a decoupled design that separates node condensation from graph structure generation. Specifically, it first employs heat kernel feature propagation to generate node representation via spectral graph theory-inspired diffusion. Further, a novel hybrid clustering strategy is designed to extracts discriminative intra-class centroids from the node representation. Finally, a pre-trained edge predictor infers transferable structural patterns from the original graph, ensuring accurate synthetic graph generation. Extensive experiments on real-world graph datasets demonstrate that the proposed SP-ESGC implementes a precise GC with significantly high computational efficiency. Moreover, SP-ESGC also generalizes well across diverse GNN architectures.
Authors: Jeffrey Seely, Julian Gould
Abstract: Predictive coding (PC) is a local-learning alternative to backpropagation (BP), training deep networks via local energy-minimization dynamics rather than a global backward pass. We introduce Augmented Lagrangian Predictive Coding (PC-ALM), which maintains PC's inference budget but aligns each weight update toward BP by accumulating per-layer constraint errors into a layer-local Lagrange multiplier. In linear PC networks, PC-ALM converges to an equilibrium with exact BP gradients distributed across the network via only layer-local updates. We analyze PC-ALM in nonlinear PC networks up to depth 128 and show that it matches BP performance across all width-depth regimes, notably in deep narrow networks where PC underperforms. PC-ALM introduces recurrent dynamics in each layer's activations. Compared to PC's heat flow on a scalar energy, PC-ALM dynamics are driven by dual ascent on the augmented Lagrangian. We observe "ballistic" credit propagation across very deep networks, with credit signals evenly distributed across layers, compared to PC's slow, diffusive credit propagation. Beyond the algorithm itself, the augmented Lagrangian framework offers a generalization of PC, and may yield insights into how distributed systems could compute and propagate BP-like credit signals through purely local dynamics.
Authors: Qihong Yang, Qiaolin He
Abstract: We propose a novel neural network architecture, termed Multi-Scale Separable Fourier Neural Networks (MS-SFNN), for the accurate and efficient solution of linear and nonlinear high-frequency partial differential equations (PDEs). MS-SFNN exploits a separable representation: given a $d$-dimensional input, it employs $d$ independent subnetworks -- each acting on a single coordinate -- and constructs basis functions via element-wise multiplication of their outputs. The PDE solution is approximated as a linear combination of these basis functions, with coefficients determined by least squares. Critically, all network weights and biases are randomly initialized once, from a uniform distribution with unit variance, and remain fixed thereafter. To enhance expressivity, a tunable scaling factor is introduced in each subnetwork to modulate the frequency content of the resulting basis functions. Fourier features are explicitly embedded through cosine activations, endowing the method with strong spectral approximation capabilities. To mitigate the memory bottleneck associated with dense collocation in high-frequency or three-dimensional problems, we replace automatic differentiation with analytically derived basis function derivatives and develop a memory-efficient batched QR decomposition algorithm for solving large-scale least-squares systems. Numerical experiments demonstrate that MS-SFNN achieves unprecedented accuracy across a range of challenging PDEs, significantly outperforming state-of-the-art methods such as Physics-Informed Neural Networks (PINN) and Separated-Variable Spectral Neural Networks (SV-SNN).
Authors: William Overman, Mohsen Bayati
Abstract: Reinforcement learning with verifiable rewards (RLVR) and group-based policy optimization methods such as GRPO update a stochastic policy by sampling multiple completions per prompt and increasing the policy's probability on those with higher reward, regularized by a KL penalty toward a reference policy. These updates do not include explicit mechanisms that track epistemic uncertainty. This paper studies a stylized explanation for why such uncertainty-agnostic updates can nevertheless be effective. We analyze an annealed softmax (Boltzmann) policy that selects actions according to a softmax of empirical mean rewards in a many-armed Bayesian Bernoulli bandit. Under a linear upper-tail condition on the prior (the $\beta=1$ case of $\beta$-regularity), which implies an abundance of near-optimal arms, we prove that annealed softmax greedy achieves Bayes regret $\tilde{O}(m + T/m)$, and in particular $\tilde{O}(\sqrt{T})$ when the number of arms scales as $m = \Theta(\sqrt{T})$. This is the near-optimal Bayes regret rate in this regime, attained also by empirical-mean greedy. Under $\beta$-regularity, many arms maintain empirical means close to the optimum throughout learning, so when softmax samples an arm other than the empirically best, that arm tends to be another near-optimal one rather than a clearly inferior one. By contrast, with a small number of arms, the same kind of softmax policy can suffer linear regret. The result also provides a structural analogy to RLVR, where a base policy with a non-negligible probability of producing a correct completion plays the role of $\beta$-regularity.
Authors: Yi Liu, Hongji Zhang, Lei Chen, Mingxuan Yuan, Qiang Xu
Abstract: Developing effective representations for register transfer level (RTL) designs is crucial for accelerating the hardware design workflow. Existing approaches, however, typically rely on a single data modality, either the RTL code or its associated graph-based representation, limiting the expressiveness and generalization ability of the learned representations. For RTL, the control data flow graph (CDFG) offers a comprehensive structural representation that preserves complete information, while the code modality explicitly encodes semantic and functional information. We argue that integrating these complementary modalities is essential for a thorough understanding of RTL designs. To this end, we propose UniRTL, a multimodal pretraining framework that learns unified RTL representations by jointly leveraging code and CDFG. UniRTL achieves fine-grained alignment between code and graph through mutual masked modeling and employs a hierarchical training strategy that incorporates a pretrained graph-aware tokenizer and staged alignment of text (i.e., functional summary) and code prior to graph integration. We evaluate UniRTL on two downstream tasks, performance prediction and code retrieval, under multiple settings. Experimental results show that UniRTL consistently outperforms prior methods, establishing it as a more robust and powerful foundation for advancing hardware design automation.
Authors: Tobias Lademann, Th\'eo Vincent, Jan Peters, Matthias Weigold
Abstract: Reinforcement learning has shown promising results for optimizing the control of industrial energy systems, yet most existing studies remain limited to the application in simulation environments. We investigate the challenges of deploying reinforcement learning in a real-world industrial energy system, considering a thermal heating network as a use case. We formulate the task as a Markov Decision Process and systematically analyze the associated challenges along the structure of the formal description, including partial observability, action space design, reward design, and the simulation-to-reality gap. The challenges are grounded in an existing real-world deployment, where reinforcement learning achieves operational stability but shows a significant performance gap compared to simulation.
Authors: Veronika Semmelrock, Benedetta Strizzolo, Francesco Zuccato, Gerhard Friedrich, Patrick Rodler, Konstantin Schekotihin
Abstract: Combinatorial and optimization problems are fundamental to many industrial AI applications. Solving large-scale real-world instances of such problems typically requires careful problem formalization, specialized solvers, and expert-designed heuristics. Thus, experts need to specify not only what solutions are, but also how they are derived. By introducing the tool CHECKMATE, we show that algorithm generation via code evolution represents a paradigm shift by eliminating the need to formulate the how. CHECKMATE solely relies on the what. Specifically, a formal specification ensures solutions' correctness and enables systematic performance evaluation of the generated programs, while a natural language description guides the evolutionary process. The effectiveness of our method is demonstrated on selected problems from two industrial domains: configuration and scheduling. In all cases, the evolved algorithms consistently outperform state-of-the-art solvers. This underscores the potential of formal methods in guiding code evolution for automatically solving complex real-world problems.
Authors: Nobuo Namura, Sho Takemori
Abstract: Gaussian process-based Bayesian optimization (BO) is a popular approach for expensive black-box optimization, but its performance often degrades on complex multimodal or high-dimensional problems. Trust region-based BO mitigates this issue by focusing on local regions, and recent studies suggest that selecting an effective region can be formulated as a multi-armed bandit problem. We propose a trajectory-aware framework that integrates best-arm identification (BAI) with trust region-based BO to efficiently solve multimodal optimization problems. Our method extrapolates the optimization trajectories of multiple locally initialized optimizers to predict their final performance and progressively eliminates suboptimal candidates via BAI. We theoretically show that the proposed BAI-guided BO converges faster to the global optimum than conventional BO under mild assumptions, and demonstrate its effectiveness through extensive experiments on synthetic and real-world benchmarks.
Authors: Lucas Thil, Jesse Read, Rim Kaddah, Guillaume Doquet
Abstract: We present a novel method for learning interpretable representations of progressive time series, that is, data capturing irreversible state transitions such as degradation or task completion. Our approach uses a self-supervised contrastive objective to learn a low-dimensional latent space whose geometry is itself the interpretation: each observation becomes a point on a manifold anchored between two fixed orthogonal prototype vectors, and a trajectory becomes a path across that manifold. From this structure we read a latent compass, the polar coordinates ({\theta}, r) of the latent vector, in which {\theta} tracks the progression of the underlying state (e.g., from healthy to failed) and r identifies the active mode (e.g., the operating condition), without any proxy labels. We evaluate the approach against the state of the art on diverse domains, including industrial degradation, robotic tasks, and neural activity, validating three key capabilities: (1) end-state prediction, (2) multi-step forecasting, and (3) interpretable phase separation. Our method matches or improves over black-box counterparts on all of these while providing transparency about the underlying mechanisms. A simple linear regressor on top of the latent compass coordinates is competitive with deep architectures, direct quantitative evidence that the underlying state is encoded in a geometrically accessible form.
Authors: Marius Potfer, Cheng Wan, Pierre Gruet
Abstract: Bidding in the European Frequency Containment Reserve (FCR) market is challenging for flexibility providers because competing offers are hidden and bidders observe only partial feedback form the market, such as, clearing price and awarded quantity. For a participant active in a single country, we show that the multi-country FCR clearing problem can be recast as a repeated multi-unit uniform-price auction against an endogenous vector of opposing bids. This reformulation yields an online learning problem and allows us to adapt a Best-of-Both-Worlds combinatorial semi-bandit algorithm implementable from this standard market feedback. The resulting bidder achieves logarithmic pseudo-regret in stochastic environments and $\mathcal{O}(\sqrt{T})$ regret in adversarial ones. Synthetic experiments confirm the expected scaling, and backtests on historical European FCR data show competitive performance in practice: the method performs especially well on stable products, while EXP3-type baselines can be safer under stronger non-stationarity. Overall, the results show that learning-based bidding in FCR markets is theoretically grounded and practically useful when the learning rule matches product-level market stability.
Authors: Gyeonghoon Ko, Juho Lee
Abstract: Riemannian diffusion models generalize score-based generative modeling to manifold-supported data via stochastic diffusion equations on the manifold. However, training requires sampling from and differentiating the manifold heat kernel, which is rarely available in closed form beyond a few highly symmetric manifolds. We propose a general approach that approximates the heat kernel by directly solving the manifold heat equation with a physics-informed neural network (PINN). Given an explicit manifold specification, we choose a coordinate system, derive the corresponding heat (Fokker--Planck) equation and a short-time asymptotic approximation, and then train a PINN to learn the log heat kernel. The resulting surrogate enables both forward noising (heat-kernel sampling) and conditional-score evaluation for denoising score matching. We demonstrate the method on diverse manifolds including $S^2$, $SO(3)$, $\mathrm{SPD}(n)$, and permutation-quotiented point clouds.
Authors: Lucas Thil, Jesse Read, Rim Kaddah, Guillaume Doquet
Abstract: Joint-Embedding Predictive Architectures (JEPAs) learn compact latent world models by predicting future embeddings, but no single coordinate of the latent is designated to encode task progression. We carve the JEPA latent into two orthogonal subspaces with disjoint roles: a low-dimensional progression subspace shaped by a cosine-margin triplet loss, and a high-dimensional content subspace regularised by the existing SIGReg objective of LeWM. We prove that the two anti-collapse forces act on disjoint coordinates, so they compose additively rather than competing on the same dimensions. Our method, SD-JEPA improves over the LeWM baseline on the majority of its control benchmarks at matched compute, and outperforms the strongest non-LeWM JEPA baseline on Push-T; a subspace-ablation falsifier confirms the split is the load-bearing ingredient. Beyond planning, the resulting 1-D angular progression coordinate functions as a scene-aware compass on the latent. It advances with task progress, regresses when the agent backtracks, and under controlled perturbations both spikes and relocalises to a semantically appropriate new task-phase sector, separating the moment of surprise from its meaning in a way that prediction-error scalars cannot. Three quantitative tests back this up: $|\Delta\theta_t|$ outperforms the standard latent-prediction-error surprise at localising semantic events on 40 held-out cube episodes by up to +0.18 pooled AUROC (97.5% per-episode win rate at $\pm 1$-step tolerance); a within-episode linear probe across all four environments (40 episodes per env) shows the 8-dimensional progression subspace (4.2% of the latent) explains 72-95% of task-progress variance..
Authors: Tim Weiland, Philipp Hennig
Abstract: Nonlinear conservation laws are at the heart of many of the most important dynamical systems in science and engineering. In practical applications, such systems are often subject to various sources of uncertainty, e.g. due to sparse or noisy measurements. Inferring physical quantities and fields of interest then becomes an ill-posed problem which both classical numerical methods and modern deep learning-based methods struggle to treat appropriately. Recent work has framed classical numerical methods as Bayesian inference under Gaussian process priors, resulting in a physics-aware treatment of uncertainties. Following this line of work, we develop a novel numerically conservative method for uncertainty-aware simulations of nonlinear conservation laws. We use recent sparse approximation techniques to scale up to large-scale forward and inverse problems. For forward simulation, we inherit the accuracy of classical solvers while providing structured uncertainty quantification. On inverse problems, we recover posteriors over nonparametric source fields in seconds -- outperforming neural baselines that take minutes to produce a less accurate point estimate.
Authors: Cheonwoo Lee, Dooho Lee, Doyun Choi, Jaemin Yoo
Abstract: Multi-scale modeling has emerged as an effective design principle for time-series forecasting by capturing temporal dynamics at multiple resolutions. As no principled foundation has been established in the literature, we unify existing scaling methods into a scaling operator family, revealing a fundamental limitation of existing approaches: reliance on fixed and discrete scaling. To address this limitation, we propose SiGMA (Single Generalized Multi-scale Architecture), which enables distance-aware scaling via the learnable discrete Gaussian (LDG) kernel grounded in scale-space theory. We evaluate SiGMA comprehensively on long- and short-term forecasting benchmarks against state-of-the-art multi-scale baselines. SiGMA outperforms all competitors on both tasks, especially achieving the best performance in 13 out of 16 long-term evaluation settings. Beyond accuracy, SiGMA significantly improves training speed by up to 5.3 times and reduces memory consumption by up to 3.8 times over the strongest competitors. Code is available at https://github.com/cheonwoolee/SiGMA.
Authors: Willian T. Lunardi, Samridha Shrestha, Martin Andreoni
Abstract: Out-of-distribution (OOD) detection for time-series data remains comparatively underexplored compared to vision and language, with a limited principled understanding of how supervised time-series representations can be leveraged for reliable detection under distributional shifts. This work formulates time-series OOD detection as representation learning with hyperspherical embeddings, where class-conditional structure is induced by a von Mises-Fisher (vMF) likelihood-based objective on the unit sphere. The learned representation combines time- and frequency-domain views of the input signal via domain-specific encoders, integrating them into a joint embedding space for OOD detection. Detection uses distance-based scores over the learned embeddings, including k-nearest neighbors (k-NN) and Mahalanobis scores. We evaluate the approach at scale on the complete UCR and UEA time-series archives under a cross-dataset protocol. Empirical results show consistent improvements under both k-NN and Mahalanobis scoring over strong contrastive learning and post-hoc baselines in the same setting. Code is available at https://github.com/tiiuae/hypertf-time-series-ood.
Authors: Zi-Rong Li, Si-Yang Liu, Tian-Zuo Wang, Han-Jia Ye
Abstract: Causal discovery aims to recover directed causal relations from observational and interventional data, providing a basis for mechanistic understanding and reliable decision-making. Causal discovery foundation models (CDFMs) seek to amortize this problem by mapping a dataset directly to a causal graph in a single forward pass, avoiding per-dataset testing, search, or optimization. However, existing CDFMs remain limited, often failing to consistently match strong classical methods, and we find that a key bottleneck is how causal pretraining tasks are constructed. Based on this observation, we propose TabCausal, a data-driven CDFM trained with broad causal pretraining over diverse graph priors, structural mechanisms, noise models, dimensions, sample sizes, and intervention regimes. A dynamic task construction strategy composes these causal environments into varied discovery tasks, enabling more transferable structural learning from observational and mixed-interventional data. On large-scale synthetic benchmarks, TabCausal achieves better macro-averaged performance than a diverse set of causal discovery baselines. To further bridge abstract synthetic generators and realistic causal reasoning scenarios, we introduce a protocol-guided and LLM-audited semantic causal environment benchmark, where domain-grounded SCMs generate interpretable observational and interventional datasets for out-of-distribution analysis. Across both synthetic and semantic environments, TabCausal demonstrates robust structure recovery, especially under interventional evidence, highlighting broad causal pretraining as a key ingredient for transferable amortized causal discovery.
Authors: Daniil Plyusov, Alexey Gorbatovski, Alexey Malakhov, Nikita Balagansky, Boris Shaposhnikov, Daria Korotyshova, Daniil Gavrilov
Abstract: On-policy distillation (OPD) trains a student on prefixes sampled from its own policy while matching a stronger teacher. This addresses the prefix mismatch of offline distillation, but early student rollouts can still be poor, placing teacher supervision on weak or low-quality prefixes. We propose Trust-Region behavior Blending (TRB), a warmup method that replaces the early rollout policy with the closest-to-teacher behavior policy inside a student-centered KL trust region, while keeping the per-prefix reverse-KL OPD loss unchanged. The KL budget is annealed to zero, so training returns to pure student rollouts after warmup. Across two math-reasoning distillation settings, TRB attains the strongest average among the compared methods.
Authors: Vagul Mahadevan, Claire Chen, Shuze Daniel Liu, Shangtong Zhang
Abstract: This work studies the convergence of two-timescale stochastic approximations (SA), a class of iterative algorithms that update two sets of parameters in fast and slow timescales respectively. Notable examples of two-timescale SA in reinforcement learning (RL) include temporal difference learning with gradient correction (TDC) and actor-critic methods. Previously, the stability (i.e., boundedness) and convergence of two-timescale SA were only established under i.i.d. noise. This work instead establishes the stability and convergence of two-timescale SA under Markovian noise, a setup that is more realistic in RL. Notably, we do not need to use any projection operator and the noise does not need to live in a compact space. Our key technical novelty is to control the fast timescale parameter with the running max of the slow timescale parameter, instead of with the current slow timescale parameter, as most prior works do. As a key application, we establish the first almost sure convergence of TDC with eligibility traces under off-policy learning with linear function approximation.
Authors: Miltiadis Stouras, Vincent Cohen-Addad, Silvio Lattanzi, Ola Svensson
Abstract: Retrieval-augmented generation (RAG) systems typically rely on a single retriever and a single set of hyperparameters, despite facing highly heterogeneous queries that range from simple factoid questions to complex multi-hop reasoning. We propose a method that automatically selects a small, diverse subset of retrievers (a portfolio) from a large pool of candidates, to cover different regions of the target query distribution. We formalize this setting via an expected best-of-$k$ objective over the query distribution and show that it admits an efficient portfolio construction algorithm with near-optimal guarantees. Across multiple QA benchmarks, our learned portfolios and router pipeline consistently outperform single-retriever and naive multi-retriever baselines on both retrieval metrics and answer quality. In addition, compared to inference-time hyperparameter tuning approaches, fixed portfolios enable parallel retrieval and LLM calls, achieving comparable (and sometimes better) accuracy with substantially lower latency and token cost.
Authors: Joanna Komorniczak
Abstract: Data streams are nowadays among the most frequently analyzed data structures, with the concept drift posing a major challenge encountered by processing systems. Despite the proposition of numerous solutions to counteract the accuracy degeneration due to concept drift, the scientific community has not yet established a unified framework for evaluating the concept drift detection task. Existing research often relies on classification quality metrics, but these can be affected by multiple factors and may not reliably reflect drift detection quality. In this work, we present an in-depth overview of the relationship between metrics for quantifying drift detection quality and classification performance in synthetic nonstationary data streams. The proposed research studies eight drift detection quality metrics in relation to the classifier's performance across seven synthetic data stream generation tools, additionally considering drift dynamics as a factor. The studies aim to identify the most informative set of drift detection quality metrics and provide a deep understanding of the method's evaluation.
Authors: Zijie Zhao, Roy E. Welsch
Abstract: Tabular prediction in high-stakes domains requires models that are accurate, transparent, and robust to imperfect inputs. We propose FlagGAM, a rule-defined basis framework that separates feature-level rule construction from prediction. A Flag Core Module converts numerical and categorical variables into sparse, human-readable univariate bases, including threshold flags, category-level flags, tail-deviation bases, and categorical step functions; a default additive head then combines these bases as a restricted GAM-style predictor. Rather than reducing triggered rules to compact count summaries, FlagGAM retains a sparse rule-basis matrix that supports mixed-type classification and regression, feature-specific weighting, and optional flexible prediction heads. Across tabular benchmarks, default FlagGAM remains close to EBM in transparent additive mode, improves substantially over ridge regression on mixed-type regression, and shows smaller AUROC degradation than common baselines under missing and noisy perturbations. Flexible heads further improve accuracy and approach strong tree-based baselines, with the caveat that the resulting model should be interpreted as a rule-basis representation followed by a nonlinear predictor rather than as a fully additive GAM. Overall, FlagGAM provides a practical middle ground for tabular settings that require competitive accuracy, communicable rules, and robustness to imperfect inputs.
Authors: Umut Onur Yasar
Abstract: We investigate how teacher-student capacity relationships modulate knowledge distillation (KD) effectiveness in ResNet-based image classification on CIFAR-10. Across three teacher-student pairs -- R50->R18, R34->R18, and R50->R34 -- we compare Logit-KD and Feature-KD under controlled, reproducible conditions (3 seeds, mean+/-std reported throughout). We report three main findings. First, student capacity is a key moderating factor in distillation gain: R34 students benefit substantially more from KD than R18 students even when teacher-student accuracy gaps are comparable, with the strongest gain of +0.30pp observed for R50->R34 Feature-KD versus +0.18pp for R34->R18 Feature-KD and +0.00pp for R34->R18 Logit-KD. Second, implementation correctness critically affects Feature-KD: a gradient clipping bug that excluded projection layers suppressed Feature-KD performance and produced misleading comparisons with Logit-KD. After correction, Feature-KD matches or outperforms Logit-KD in two of three pairs, reaching 95.55% on R50->R34 against a baseline of 95.25%. Third, input-resolution-aware architecture is a prerequisite for effective distillation: correcting the ResNet stem for 32x32 inputs raises teacher accuracy by over 5pp -- an order of magnitude larger than any KD gain. All code and results are available at github.com/umutonuryasar/kd-capacity-gap.
Authors: Jiayu Xiong, Jing Wang, Qi Zhang, Wanlong Wang, Jun Xue
Abstract: Real-world multimodal systems must be robust against low-quality data, such as sensor noise, incomplete multimodal data and conflicting inputs. However, existing trustworthy fusion methods rely on the model's own prediction confidence to judge data quality. This creates a circular dependency: when a model is confident but wrong, these methods fail to detect the error. To break this loop, we propose Geometry-based Multimodal Fusion (GMF). Instead of relying on predictions, we evaluate reliability by measuring how much transport correction the input needs in latent space. We implement Diffusion Schr\"odinger Bridge transport with Rectified Flow, where the squared initial velocity gives an efficient learned correction score. Valid data has low squared velocity magnitude, while noisy, incomplete data or conflicting data requires stronger transport correction. This geometry-based reliability signal acts as an independent judge, effectively flagging unreliable inputs even when the classifier is fooled. Extensive experiments demonstrate that GMF significantly improves robustness against severe sensor noise and semantic conflicts compared to confidence-based baselines.
Authors: Jinyang Liu, Munir Eberhardt Hiabu
Abstract: Interpretable machine learning requires models that are accurate and structurally faithful to the data.Existing explainability methods rely heavily on additive representations (e.g., Generalized Additive Models (GAMs), SHapley Additive exPlanations (SHAP), functional ANOVA), which can suffer from signal cancellation and off-support extrapolation in the presence of strong interactions. We propose Tensor Separation Learning (TSL), a regression model that learns a sum of rank-1 products of univariate per-feature functions via a stagewise greedy procedure with orthogonal refitting. By enforcing separability, TSL avoids the information loss inherent in additive projections caused by marginalizing higher-order interactions. The learned TSL model can be fully reconstructed from first-order partial dependence functions, up to constant factors. This stage-wise correspondence ensures that the resulting visualizations are faithful to the fitted components. We establish approximation-rate guarantees for functions with bounded mixed $p$-th order partial derivatives and demonstrate that TSL competes with black-box models on regression benchmarks.
Authors: Andrea Miele, Yiming Qin, Alba Carballo-Castro, Justin Deschenaux, Pascal Frossard
Abstract: Masked Generative Models (MGMs) enable parallel decoding and achieve strong performance across modalities, but require full-sequence bidirectional transformers at every step, making training costly and degrading quality under low sampling budgets. Existing work improves efficiency via better samplers or cheaper fixed-depth denoisers, but they still allocate a fixed amount of denoiser computation to each refinement step. We introduce Fixed-Point Masked Generative Models (FP-MGMs), which replace part of the denoiser with a fixed-point solver over shared attention layers to enable adaptive depth with fewer parameters. To make it more effective for masked generation, we first introduce a cross-step consistency loss, which aligns hidden representations at neighboring denoising steps and, second, three-state reuse (3SR) which warm-starts the solver using the previous solution by treating differently unchanged, still-masked, and newly revealed tokens respectively. Together, these components define our complete training-to-inference framework for fixed-point masked generation, \emph{CoFRe}. We also show that pre-trained MGMs can be converted into FP-MGMs with short fine-tuning, avoiding full retraining. Across modalities, CoFRe improves the quality and cost trade-off. On OpenWebText, CoFRe reduces parameters by 38.8\%, training time by 11.5\%, and VRAM by 16.9\%, while improving generative perplexity from 830.8 to 101.8 at a budget of $96$ transformer-block forward passes, compared to MDLM. In ImageNette, CoFRe reduces training time by 48.6\% and VRAM by 50.7\%, while improving FID in all sample budgets tested. Overall, CoFRe offers a practical framework for cheaper training and stronger low-budget masked generation.
Authors: Baptiste Debes, Tinne Tuytelaars
Abstract: Distributional reinforcement learning (DRL) models the full return distribution rather than expectations, but extending it to multivariate settings remains challenging. Many common metrics do not naturally generalize beyond one dimension or lose computational tractability, and the multivariate case introduces additional difficulties such as general matrix discounting, for which no contraction results are available. We introduce Sliced Distributional Reinforcement Learning (SDRL), which lifts tractable one-dimensional divergences to multivariate return distributions via projections. We prove Bellman contraction for uniform slicing under shared scalar discounting, and introduce a maximum-slicing variant with contraction under general dense discount matrices. SDRL supports a broad class of base divergences; we analyze Wasserstein, Cram\'er, and Maximum Mean Discrepancy (MMD), and characterize which SDRL variants suit the standard single-sample Bellman update used in distributional RL. We evaluate SDRL on a toy chain problem and a gridworld image-based environment as well as a subset of Atari games.
Authors: Massimo Pavan, Luca Pezzarossa, Fabrizio Pittorino, Manuel Roveri, Xenofon Fafoutis
Abstract: Machine learning models on microcontroller-class devices (TinyML) face a fundamental challenge: post-deployment distribution change undermines static models. On-device learning (ODL) addresses this by running the learning process directly on the device. The existing literature has not characterized how distribution change occurs or how different change types require different solutions. Approximately 70 ODL works are surveyed under one principle: the distribution change regime. The survey analyzes how different types of distribution change influence the applications addressable on-device, the hardware employed, and the structure of the solutions. A persistent gap between methodological benchmarks and real-world deployment scenarios is also identified.
Authors: Jinhe Bi, Aniri, Minglai Yang, Xingcheng Zhou, Wenke Huang, Sikuan Yan, Yujun Wang, Zixuan Cao, Michael F\"arber, Xun Xiao, Volker Tresp, Yunpu Ma
Abstract: Reinforcement Learning with Verifiable Rewards is an effective route for post-training to strengthen the reasoning capability of large language models. However, as training proceeds, the learning signal can collapse thus makes the training gain become marginal and ineffective. Specifically, a growing fraction of prompts' rollouts become advantage-degenerated: all the self-generated rollouts show verified-success, making the standard deviation over their rewards be zero; accordingly each rollout's advantage becomes degenerated (zero) as well. Given such rollouts' advantages, the policy-gradient for model optimization eventually vanishes, capping the training performance. We argue that some of these rollouts still contain valuable learning signals but unfortunately omitted with the existing RLVR methods. In this paper, inspired through analyzing the entropy pattern behind golden trajectories produced by external expert models, we propose EchoRL for better exploiting the advantage-degenerated rollouts to further improve the training performance. EchoRL is a lightweight module that first identifies an EchoClip from verified-success rollouts based on their step-level entropy values, and then feeds this clip back as an auxiliary supervision signal in the RL objective. Extensive experiments across 10 benchmarks, 5 LLM backbones, and 4 popular RLVR post-training methods demonstrate that EchoRL consistently improves RLVR post-training with minimal overhead.
Authors: Xabier Belaunzaran, Antonio Nappa, Arkaitz Artetxe, Basilio Sierra
Abstract: This study presents a novel hybrid prognostic framework for uncertainty-aware Remaining Useful Life (RUL) estimation in turbofan engines using the NASA C-MAPSS dataset. The framework employs a state-aware strategy that bifurcates the engines operational lifespan into "healthy" and "degraded" regimes. An LSTM-based autoencoder, trained strictly on nominal data (RUL > 150 cycles), monitors reconstruction error to act as a robust state classifier. For the healthy regime, a Conditional Weibull Survival Analysis is used for Mean Residual Life estimation. For the degraded regime, a Probabilistic Neural Network with Monte Carlo Dropout captures both aleatoric and epistemic uncertainties. Rather than using rigid binary labels, a calibrated sigmoid function converts the autoencoders output into continuous state probabilities, dynamically weighting the final ensemble prediction. The primary strength of this framework is its generation of physically consistent uncertainty bands, yielding high-confidence predictions near end-of-life while accurately reflecting the inherent variance of early operation, providing a robust tool for risk-informed maintenance.
Authors: Konstantin Nikolaou, Jonas Scheunemann, Sven Krippendorf, Samuel Tovey, Christian Holm
Abstract: Neural scaling laws describe predictable power-law relationships between model size, dataset size, compute, and performance. While these laws guide the development of modern foundation models, the mechanisms underpinning them remain poorly understood, in part due to the absence of scalable analysis tools. To close this gap, we introduce "spectral position": a scalable measure of which eigenvalues of the empirical neural tangent kernel (eNTK) currently drive loss reduction. Applying this measure to scaling experiments, we find that spectral position decreases throughout training: learning shifts from dominant eigenmodes into the spectral tail. Larger models reach further into the tail than smaller models, revealing a size-dependent capacity we call "spectral reach". This suggests why larger models achieve lower losses: they sustain learning on weak spectral signals inaccessible to smaller models. We further identify feature learning as a key enabler of spectral reach. It adaptively amplifies gradient magnitudes as learning advances, sustaining progress where frozen representations stall. This points to concrete interventions through architecture and optimizer design.
Authors: Walter Nelson, Theofanis Karaletsos, Francesco Locatello
Abstract: Recently, sparse autoencoders (SAEs) have emerged as an attractive tool for interpreting and interacting with representations in practical neural networks. While it is common empirical folklore, we also show theoretically that SAEs are highly unstable: different training runs are likely to produce different concept dictionaries and sparse codes. We characterize the model properties that hinder the stability of real-world SAEs, and address each of these problems through minimal changes to the architecture and training procedure. Together, these changes yield two versions of an \textbf{i}dentifiable SAE (iSAE), a variant of the standard TopK SAE with lower reconstruction error and improved stability. We explain this improvement theoretically by connecting SAEs with traditional dictionary learning approaches, and show that the dictionaries learned in practice satisfy an approximate restricted isometry condition, rendering the corresponding sparse codes in those models near-identifiable.
Authors: Bosong Huang, Panzhen Zhao, Zengxiang Li, Patricia Lee, Wei Jin, Alan Wee-Chung Liew, Ming Jin, Shirui Pan
Abstract: Electrocardiography (ECG) is a cornerstone of cardiac assessment, making the learning of informative ECG representations fundamental to tasks ranging from disease diagnosis to clinical report generation. However, existing methods operate almost exclusively in the observable ECG signal space. In practice, the standard twelve-lead ECG represents multiple projections of the same underlying cardiac electrical activity from different spatial orientations. Therefore, representation learning in the ECG space inevitably introduces substantial redundancy, which may lead to spurious correlations and increased risk of overfitting. To address this and motivated by the Frank vectorcardiogram (VCG) model, we propose learning a unified latent representation of cardiac electrical activity directly in the VCG space. We introduce LVCG, the first general self-supervised representation learning framework designed to operate in this physically grounded latent space. By learning view-invariant latent VCG representations rather than lead-specific artifacts, VCG minimizes redundancy and improves generalization. LVCG generally outperforms ECG-space baselines across tasks, demonstrating enhanced robustness and generalization, especially in domain shift settings.
Authors: Gaurav Dhama
Abstract: Fraud detection in payment networks relies on labels generated through heterogeneous and imperfect observation processes, yet existing approaches treat fraud as a homogeneous binary variable. We show that this assumption is structurally incorrect and leads to provable inefficiency. We introduce an observation-mechanism taxonomy that partitions fraud into five classes, each defined by a distinct censorship and labeling pipeline. We prove that estimating fraud rates separately by class and aggregating strictly dominates pooled estimation, with the efficiency gap characterized as a Jensen penalty arising from heterogeneous observation rates. For each class, we derive the binding theoretical constraint on detection, including endogenous label corruption, structural non-observability, and feature non-informativeness. These results establish that fraud detection is fundamentally a collection of distinct estimation problems, each governed by its own observation structure and detection limit.
Authors: Alberto D. Cencillo, Leonardo Concepci\'on, Juli\'an Luengo, Isaac Triguero
Abstract: Unscheduled trips of high-power pulsed converters are a leading source of downtime at large accelerator facilities. At the Spallation Neutron Source (SNS), the High Voltage Converter Modulators (HVCMs) are consistently the second-largest contributor to lost beam time. Each HVCM pulse is recorded across sensor channels spanning currents, voltages, and magnetic fluxes, whose mutual interactions encode the operating state of the system. Fault precursors do not manifest uniformly across these channels: depending on fault type, they may alter the temporal structure of individual signals, change the statistical dependencies among channels, or both. Existing deep-learning approaches typically process multi-channel signals with standard convolutional pipelines that entangle temporal and cross-channel operations from the first layer, giving the model no explicit mechanism to represent channel independence or structured inter-channel interaction. We hypothesise that architectural inductive bias, specifically the ordering of temporal filtering and cross-channel mixing, plays a central role in detection performance on this class of data. To test this, we vary the order in which these two operations are applied, and examine whether per-pulse adaptive channel reweighting further improves sensitivity. Evaluated on the public HVCM dataset across all four SNS subsystems (RFQ, DTL, CCL, SCL), our best variant achieves a pooled AUC-PR of 0.816 and AUC-ROC of 0.934, outperforming the state of the art on most subsystems and five of the six fault families. Ablations identify three dominant input channels and link per-fault-family performance to whether precursors manifest as amplitude shifts in individual channels or as subtler patterns requiring joint channel representations to surface.
Authors: Yike Zhao, Onno Eberhard, Malek Khammassi, Ali H. Sayed, Michael Muehlebach
Abstract: The family of linear recurrent neural networks has shown strong performance as recurrent memory units in partially observable reinforcement learning. We provide a theoretical justification for their empirical effectiveness by constructing and studying two linear filters: (i) the first exactly reproduces the pre-softmax logits of the belief vector in a hidden Markov model (HMM) under a deterministic transition matrix, thereby serving as a sufficient statistic for optimal policy learning, (ii) the second achieves vanishing state-decoding error under a nearly deterministic transition matrix, thus reducing state ambiguity to near zero. The results extend to action-controlled HMMs, where the corresponding linear filters become time-varying with action-dependent dynamics. We illustrate our main results through numerical experiments and further show that the constructed linear filter serves as a strong feature extractor in a small reinforcement learning game.
Authors: Wenshuo Dong, Jiaming Zhang, Shaopneg Fu, Hongbin Lin, Di Wang, Lijie Hu
Abstract: As predictive models are increasingly deployed in high-stakes settings such as credit approval, there is a growing need for post-hoc methods that provide recourse to affected individuals. Many such models operate on tabular data, where features correspond to real-world attributes. Recently, in-context learning (ICL) has enabled large language models to perform tabular prediction by conditioning on labeled examples at inference time, without explicit training. However, algorithmic recourse for tabular decision-making under ICL remains largely unexplored. In this work, we present the first study of algorithmic recourse for tabular data under ICL. We carry out a theoretical analysis, showing that recourse remains well-defined and bounded, and we characterize how recourse converges toward classical solutions as the context size increases. In practice, we propose a novel zeroth-order recourse framework, Adaptive Subspace Recourse for In-Context Learning (ASR-ICL), that efficiently generates actionable and sparse recourse for black-box ICL models. The proposed framework naturally extends to multi-class tabular tasks. Experiments across multiple real-world datasets and models demonstrate that ASR-ICL achieves recourse quality comparable to existing methods with fewer queries and empirically confirm the predicted convergence behavior, supporting our theoretical analysis.
Authors: Franki Nguimatsia-Tiofack, Fabian Schramm, Th\'eotime Le Hellard, Justin Carpentier
Abstract: While self-supervised Contrastive Reinforcement Learning (CRL) has shown remarkable depth-scaling capabilities, successfully using networks over 64 layers, scaled CRL still struggles with long-horizon goal-conditioned planning due to the uniformity-tolerance dilemma inherent in contrastive losses. We introduce Survival Reinforcement Learning (SRL), an online classification-based alternative that extends the survival value learning framework by maximizing the agent's dwell time at target goals. SRL bypasses the structural constraints of CRL and mitigates the "bang-bang" control solutions inherent to survival frameworks, which often induce undesirable behavior in complex dynamical systems. Evaluated across diverse robotic benchmarks, scaled SRL matches state-of-the-art CRL on manipulation tasks and outperforms it by 2x to 8x on stable, long-horizon locomotion tasks. Our results provide strong additional evidence that classification-based methods may serve as a key primitive in the broader effort to scale reinforcement learning.
Authors: Giorgio Morales, John Sheppard
Abstract: Accurately modeling crop response to Nitrogen (N) fertilization is a fundamental challenge in precision agriculture, as it impacts both economic returns and environmental sustainability. Existing approaches either rely on predefined parametric forms or opaque machine learning models, limiting their ability to interpret or discover site-specific functional relationships from data. In this work, we propose a neuro symbolic regression (SR) approach to learn parametric N-response curves without assuming a predefined functional form. Our approach integrates a transformer-based Multi-Set Symbolic Skeleton Prediction strategy, enabling the discovery of shared functional structures across multiple subdomains or management zones (MZs). By constructing diverse input subsets and enforcing consistency across them, the method recovers robust symbolic skeletons that are subsequently fitted to observed data using a genetic algorithm. This framework was first evaluated on synthetic one-dimensional problems to assess its robustness under varying levels of epistemic uncertainty. The results demonstrate the ability of the proposed SR approach to recover correct expressions even in data-scarce regimes. In this work, we present the results of applying our method to real-world winter wheat data, learning distinct parametric N-response curves for different MZs within a field. The results show that the discovered expressions not only achieve lower fitting errors than traditional models such as quadratic-plateau and exponential functions, but also capture diverse functional behaviors across spatial regions. This demonstrates the potential that neuro SR has to enable the discovery of site-specific agronomic relationships and support informed decision-making in precision agriculture.
Authors: Amir Esterhuysen, Anders Jonsson
Abstract: Representation learning is a powerful tool for spatio-temporal abstraction within reinforcement learning (RL). Two well established approaches are through the successor representation (SR) and the default representation (DR). The SR encodes states by the future trajectories they induce, capturing information flow decoupled from reward. The DR builds on this by weighting trajectories with reward, integrating credit-assignment structure into the representation. Eigenvectors of both representations have been used to support a range of downstream tasks -- including option discovery, reward shaping, transfer learning, and exploration. We introduce a structurally distinct formulation: the terminal representation (TR). The TR encodes reward-weighted trajectories similarly to the DR, but can be learned as a lower-dimensionality object, and can be used directly for the mentioned applications without eigenvector computations. Eigendecomposition also imposes the assumption of symmetric transition dynamics, which the TR can bypass. In this work we develop the theoretical foundations of the TR: its derivation, convergence of two learning algorithms, its use for zero-shot compositionality, and equivalences between alternative reward formulations. We further show the TR is embedded in the top DR eigenvector, allowing it to capture the same underlying knowledge without eigendecomposition. Additionally, we provide empirical evidence of the TR as a viable alternative to existing representations in subsidiary applications, while requiring less computational overhead to learn, store, and use.
Authors: Do\u{g}ukan Ba\u{g}c{\i}, Bernt Schiele, Simone Schaub-Meyer, Jonas Fischer, Robin Hesse
Abstract: Deep neural networks (DNNs) are widely used, but interpreting what they actually learn remains difficult. A major obstacle is that individual neurons often encode multiple unrelated concepts, obscuring the decision process of the network. While prior work, such as sparse autoencoders, can separate these mixed signals into more meaningful, "monosemantic" features, this typically requires altering the model in ways that can degrade downstream performance. To overcome this, we introduce ELUDe (explicit, lossless, unsupervised disentanglement), a method for improving the interpretability of DNNs while preserving their functional equivalence. ELUDe breaks latent representations into clear, inspectable sub-units that behave like interpretable features, while guaranteeing that the model's outputs remain exactly the same. It requires no explicit training, no labels, and can be applied to pretrained models. ELUDe works by reorganizing how information flows between layers, re-routing concept-specific contributions while preserving the original computation by construction. Across several vision models, including DINOv2 and supervised ViT-B/16, ELUDe improves interpretability, keeps downstream accuracy unchanged, runs efficiently, and supports practical uses such as steering model representations. In short, ELUDe offers interpretability (almost) without a tradeoff: clearer, scalable, and actionable model insights with no loss in performance.
Authors: Zaiwei Chen, Siva Theja Maguluri
Abstract: We survey Lyapunov-based techniques for the finite-time analysis of stochastic iterative algorithms, also known as stochastic approximation (SA) algorithms, for solving fixed-point equations $\bar{F}(x)=x$, where the operator $\bar{F}(\cdot)$ can only be accessed through a noisy oracle. We first focus on the standard setting in which $\bar{F}(\cdot)$ is contractive with respect to some norm and the noise is i.i.d., and explain how generalized Moreau envelopes serve as universal Lyapunov functions, regardless of the underlying norm. We then show how this framework yields mean-square convergence guarantees and applies to stochastic gradient descent, linear SA, and value-based reinforcement learning algorithms such as Q-learning and temporal-difference learning. Finally, we discuss extensions to Markovian noise, seminorm-contractive operators, dissipative operators, and high-probability bounds, and conclude with open problems. The goal is to present a unified and self-contained roadmap for the finite-time analysis of SA and its applications, especially in reinforcement learning.
Authors: Christian Koke, Yuesong Shen, Abhishek Saroha, Marvin Eisenberger, Bastian Rieck, Michael Bronstein, Daniel Cremers
Abstract: We show that contrary to conventional wisdom in the community, graph neural networks (GNNs) are not continuous with respect to all natural modes of graph convergence. As a result, GNNs may generate substantially different latent representations for graphs that are very similar. In particular they assign vastly different latent embeddings to graphs that represent the same underlying object at different resolution scales. We trace this failure of continuity back to a structural obstruction arising from commonly used information-propagation schemes. Building on this insight we then derive a principled modification to standard GNN architectures which equips models with continuity across scales. The proposed modification enables consistent integration of distinct resolutions and reliable generalization between them. We systematically validate our theoretical findings in a wide range of numerical experiments.
Authors: Polina Dolgova, Sebastian U. Stich
Abstract: Machine unlearning aims to remove the influence of selected training examples without full retraining. Standard evaluations often summarize unlearning quality with aggregate metrics, such as accuracy- and forgetting-based scores, which can hide localized failures. We study this failure mode at the example level by comparing the predictions of an unlearned model to those of the model retrained after deletion. We show that this pointwise discrepancy can be highly non-uniform: for gradient-ascent and random-labeling methods, with and without retain-set fine-tuning, it grows with geometric proximity to the forget set. We call this phenomenon localized collateral forgetting. Our analysis identifies a mechanism behind the effect: surrogate targets used during unlearning can be inconsistent with the local prediction structure induced by retraining, and this inconsistency propagates through shared representations to nearby examples. Motivated by this mechanism, we propose Local Teacher Distillation, a simple mitigation strategy that replaces random targets with soft labels from a small teacher trained only on retained neighbors of the forget set. On CIFAR-100 partial-class deletion, this local teacher brings the unlearned model substantially closer to retraining, especially near the forget set, while maintaining competitive aggregate unlearning metrics.
Authors: Mateusz Odrowaz-Sypniewski, Jasmine Bayrooti, Ajay Shankar, Amanda Prorok
Abstract: Modeling an opponent's intent is critical for effective decision-making in non-cooperative, competitive, and general-sum multi-agent reinforcement learning. Existing opponent modeling methods encode intent using an embedding derived from episode information chosen a priori, such as the opponent's next action or a future environment state, and use this to guide the ego-agent's behavior. These approaches assume that the chosen information is universally representative of intent; however, we show empirically that this is not the case as intentions are often task- and environment-dependent. To address this, we introduce a task-adaptive opponent modeling framework that learns a performance-driven mixture of multiple intent representations. We further introduce a new intention representation that maximizes mutual information with the ego-agent's future returns, thereby capturing opponent information that is most directly relevant to performance. Our approach consistently matches or exceeds the performance of state-of-the-art baselines across diverse tasks and yields insights into when and why different opponent modeling strategies succeed.
Authors: Hee-Sung Kim, Hyeonseong Kim, Sungyoon Lee
Abstract: Estimating the generalization gap and developing optimization methods that improve generalization are crucial for deep learning models, for both theoretical understanding and practical applications. Leveraging unlabeled data for these purposes offers significant advantages in real-world scenarios. This paper introduces a novel generalization measure, local inconsistency, derived from an information-geometric perspective on the parameter space of neural networks. A key feature of local inconsistency is that it can be computed without explicit labels. We establish theoretical underpinnings by connecting local inconsistency to the Fisher information matrix and the loss Hessian. Empirically, we demonstrate that local inconsistency correlates with the generalization gap. Based on these findings, we propose Inconsistency-Aware Minimization (IAM), which incorporates local inconsistency into the training objective. We demonstrate that in standard supervised learning settings, IAM enhances generalization, achieving performance comparable to that of existing methods such as Sharpness-Aware Minimization. Furthermore, IAM exhibits efficacy in semi- and self-supervised learning scenarios, where the local inconsistency is computed from unlabeled data.
Authors: David Fern\'andez-Narro, Pablo Ferri, \'Angel S\'anchez-Garc\'ia, Juan M. Garc\'ia-G\'omez, Carlos S\'aez
Abstract: The Artificial Intelligence (AI) life cycle requires a thorough understanding of the underlying data dynamics for robust, safe and cost-effective AI development and use. Dataset shifts are defined as changes between train and test data distributions. Whether occurring over time (temporal) or across different sites (multi-source), they can severely degrade model performance and compromise data quality. This is particularly important in health AI, where the safety and fundamental rights of patients can be severely affected by uncontrolled shifts both at training and operational stages. While the theoretical foundations of covariate, prior, and concept shifts are well established, there is a lack of accessible and comprehensive software tools to perform their analysis. We introduce dashi, an open-source Python library designed for the exploration, quantification, and characterization of dataset shifts. dashi provides a dual approach: an unsupervised approach that leverages information geometry and non-parametric statistical manifolds to data variability characterization and analysis (e.g., Information Geometric Temporal plots and Multi-Source Variability metrics like Global Probabilistic Deviation and Source Probabilistic Outlyingness), and a supervised approach that quantifies and characterizes model performance degradation. Both unsupervised and supervised approaches work across user-defined temporal and domain/source batches. We demonstrate the utility of dashi on three simulated and real-world health AI case studies on gestational diabetes mellitus, COVID-19 and emergency medical dispatch. By providing interactive visual analytics and variability metrics, dashi supports trustworthiness of AI life cycle stages enabling robust and safe machine learning pipelines through the assessment of data coherence and AI performance.
Authors: Erwan Fagnou, Paul Caillon, Blaise Delattre, Alexandre Allauzen
Abstract: Token mixing layers play a key role in how language models can learn and generate long-range dependencies. Their efficiency relies on the necessary trade-off between decoding speed and the memory requirements, along with the cache size. Considering causal generation, this paper explores new trade-offs thanks to a unified framework which separates two crucial features: (i) the direct influence of inputs on outputs in one generation step; (ii) the recurrent propagation of information through past outputs. This framework encompasses major architectures such as attention and state-space models, but also generalizes the recurrence equations by allowing each state to depend on multiple past states rather than only the immediate predecessor. By introducing structure, we design new recurrence patterns that provably achieve the desired complexity, while providing theoretical insights on their expressivity -- trading runtime for expressivity in a principled way. Empirical validation is performed on synthetic tasks, along with language modeling. Together, these results provide a unified toolkit for the understanding and design of efficient and expressive token mixers across model families.
Authors: Paul Caucheteux, Cl\'ement Bonet, Anna Korba
Abstract: Many modern generative models can be viewed as minimizing divergences between probability distributions, yet they rely on different algorithmic and geometric principles. Wasserstein gradient flows provide a continuous-time formulation for optimizing over distributions, and can be approximated through their implicit discretization via the Jordan-Kinderlehrer-Otto (JKO) scheme. In this work, we present a unified theoretical framework for generative modeling based on Wasserstein gradient flows, which we refer to as Generative Wasserstein Flows (GWF). We show that a broad class of existing methods can be derived as instances of parametric JKO schemes for $f$-divergence objectives, and we establish equivalences between several recently proposed algorithms. We extend this framework beyond f-divergence to Integral Probability Metrics and squared Maximum Mean Discrepancy, deriving new JKO-based generative algorithms, and clarifying their connections with GANs. We study empirically the impact of the JKO regularization for a wide set of objectives. Finally, we analyze parametric Wasserstein flows, where the dynamics are restricted to distributions induced by parametrized maps.
Authors: Dmitrii Feoktistov, Timofey Belinsky, Andrey Veprikov, Amir Zainullin, Aleksandr Beznosikov
Abstract: Sign-based and LMO-inspired optimizers have recently attracted substantial attention in deep learning due to their strong performance and low memory footprint. However, their fixed-magnitude updates can hurt terminal convergence: they decouple update mechanisms from gradient magnitudes and fail to account for parameter heterogeneity, often leading to oscillation rather than convergence. We propose SoftSignum, a smooth relaxation of sign-based optimization that replaces the hard sign map with a temperature-controlled soft-sign transformation, enabling a parameter-wise transition from sign-like updates to magnitude-sensitive SGD-like steps. We complement it with an adaptive quantile-based temperature schedule and extend the same principle to matrix-valued optimizers, obtaining SoftMuon. We also develop a generalized geometry-relaxation framework based on strongly convex regularizers and Fenchel conjugates, proving convergence in stochastic non-convex setting. Experiments on diverse deep learning tasks, including LLM pretraining, show that SoftSignum and SoftMuon consistently improve over their hard sign-based counterparts and standard AdamW.
Authors: Antoine Vialle, Aref Einizade, Fragkiskos D. Malliaros, Jhony H. Giraldo
Abstract: Graph neural networks (GNNs) are limited to modeling pairwise interactions, while higher-order models based on cell complexes achieve greater expressivity but often suffer from poor scalability. We introduce simplified and factored cellular Weisfeiler Leman tests (sCWL and fCWL), which preserve the expressivity of the CWL test while improving computational efficiency. We further introduce the maximal clique complex, enabling scalable CWNs with reduced time and memory complexity while retaining strong empirical performance. To avoid explicit clique enumeration, we propose CliqueWalk, a biased random walk that samples maximal cliques and scales linearly with graph size. These contributions yield a scalable topological learning framework for higher-order graph representation.
Authors: Giseung Park, Hyunyoung Nam, Woohyeon Byeon, Amir Leshem, Youngchul Sung
Abstract: Multi-Objective Reinforcement Learning (MORL) extends standard RL by optimizing policies with respect to multiple, often conflicting, objectives. While max-min MORL has emerged as an effective approach for promoting fairness, its applicability remains limited, particularly when constraints must be incorporated. In this paper, we propose a MORL framework that integrates the max-min criterion with explicit constraint satisfaction. We establish a theoretical foundation for the proposed framework and validate the resulting algorithm through convergence analysis and experiments in tabular settings. We further demonstrate the practical relevance of our approach in simulated building thermal control, multi-objective locomotion control, and greenhouse-gas-emission-aware traffic management. Across these domains, our method effectively balances fairness and constraint satisfaction in multi-objective decision-making.
Authors: Jingwen Liu, Alexandr Andoni, Daniel Hsu
Abstract: We introduce \emph{universal transformers}: fixed transformers that can simulate any transformer in a given class via a suitable input embedding. Analogous to a universal Turing machine, the input embedding encodes a description of the target model while all internal parameters remain fixed. We provide explicit sparse constructions achieving universality when the embedding dimension is sufficiently large, and further show that universality is generic: randomly initialized transformers are universal almost surely, which aligns with recent empirical results of Zhong and Andreas (2024). We empirically validate our theory on the algorithmic tasks of parenthesis balancing and multi-hop reasoning. Our results suggest that much of a transformer's expressive power may reside in its input representation rather than its learned weights.
Authors: Ashley Hoi-Ting Au, Zikun Zhang, Ligang He, Qiang Ni
Abstract: Dynamic graph learning (DGL) is essential for modelling evolving graph data, but existing methods suffer from significant computational overhead due to repeated full-snapshot retraining and are not well-suited for collaborative settings with partitioned data. In realistic graph systems, cross-partition edges are unavoidable, but direct sharing of graph structure between clients may violate privacy constraints. We propose DG-CoLearn, a client-oblivious collaborative dynamic graph learning framework built on incremental graph snapshot processing, which focuses computation on graph regions affected by temporal updates while preserving historical information through temporal modelling. This incremental design is consistently applied across the entire graph processing pipeline, including a server-mediated embedding exchange mechanism to enable accurate multi-hop message passing without exposing raw cross-client structural information. Extensive experiments demonstrate that DG-CoLearn achieves up to 33.8$\times$ speedup in training time and 27.4$\times$ reduction in communication overhead, while consistently improving predictive performance on both node classification (up to 13.36% F1 improvement) and link prediction (up to 8.27% MAP improvement) tasks. These results highlight the effectiveness of DG-CoLearn in bridging efficiency, scalability, and client-to-client structural privacy in collaborative dynamic graph learning.
Authors: Markus Gross
Abstract: Time series forecasting often requires learning nonlinear and time-delayed dependencies. A paradigmatic class of forecasting models are nonlinear vector autoregressive processes (NVAR), also known as next-generation reservoir computers (NG-RCs). These models approximate the Koopman operator on the space spanned by their explicit feature library. We consider the identifiability problem for learning Markovian nonlinear dynamical systems and show that the training error as a function of time resolution follows characteristic (pre-)asymptotic scaling laws. These laws depend on whether the feature library can represent the early Lie-series coefficients of the flow map (propagator) exactly or merely approximately. For dynamical systems governed by polynomial vector fields, we demonstrate the mechanism for NVAR/NG-RC models with monomial and Fourier feature libraries. We determine the dependence of the training error on the temporal resolution, the involved nonlinear degree, and the number of delay terms. While delay terms reduce the optimal one-step training error, they improve long-horizon forecasts only when the library provides sufficient nonlinearity. Thus, small training error coexists with weak generalization as the model class is mismatched to the true data-generating process. Numerical experiments on various chaotic dynamical systems confirm the theoretical predictions.
Authors: Jian Mu, Tianyi Lin, Chengwei Qin, Zhongxiang Dai, Yao Shu
Abstract: Large language models are increasingly deployed in multi-turn interactive settings where users or environments can iteratively provide lightweight feedback. Unfortunately, optimizing such behavior presents a sharp dilemma in practice: online reinforcement learning is able to effectively address multi-turn dynamics but is prohibitively expensive due to the cost of generating full correction trajectories at every update, whereas offline supervised fine-tuning (SFT) is efficient but suffers from distribution shift and behavioral collapse. To this end, we novelly propose DRIFT (Decoupled Rollouts and Importance-Weighted Fine-Tuning), a framework that operationalizes the theoretical insight that the KL-regularized RL objective is equivalent to importance-weighted supervised learning. DRIFT decouples rollout from optimization by sampling offline interaction trajectories from a fixed reference policy, deriving return-based importance weights, and optimizing the policy via weighted SFT on the resulting dataset. Empirically, we demonstrate that DRIFT matches or exceeds the performance of multi-turn reinforcement learning baselines while maintaining the training efficiency and simplicity of standard supervised fine-tuning. Code is available at https://github.com/2020-qqtcg/DRIFT.
Authors: Ruihang Lai, Hao Kang, Haozhan Tang, Akaash R. Parthasarathy, Zichun Yu, Junru Shao, Todd C. Mowry, Chenyan Xiong, Tianqi Chen
Abstract: Mixture-of-Experts (MoE) has become the dominant architecture for frontier language models. To meet this demand, production frameworks have built optimized MoE training stacks over years of engineering effort. Yet evolving these stacks for new architectures and system optimizations remains expensive. With the rise of AI coding agents, they could automate parts of training-framework development and accelerate this evolution. But applying them to these existing frameworks carries hidden costs, invisible to today's throughput-only evaluations. We name this missing dimension agent-task efficiency (ATE): the cost of using coding agents to understand, operate, and extend a framework. Grounded in four agent-native design principles, we build PithTrain, a compact, agent-native MoE training framework. We further introduce ATE-Bench, covering real-world training-framework tasks. Our evaluation shows PithTrain matches the throughput of production frameworks, and on ATE-Bench, PithTrain enables higher agent-task efficiency, with up to 62% fewer Agent Turns and 64% less Active GPU Time.
Authors: Zaid Khan, Justin Chih-Yao Chen, Jaemin Cho, Elias Stengel-Eskin, Mohit Bansal
Abstract: GPU kernels are the workhorse of modern deep learning, and optimizing them (via evolutionary search or coding agents) usually requires repeated measurement on target hardware. While these measurements provide the ground-truth signal necessary for kernel search, they are costly, because each evaluation of a kernel requires compilation and repeated execution on a GPU. As improvements in LLM inference reduce the cost of writing novel kernels and LLM-driven searches scale to large search budgets, on-device evaluation becomes a bottleneck. To address this, we study how LLMs can serve as selective GPU surrogates for kernel evaluation, by forecasting the performance of proposed kernels. A useful surrogate should be accurate, and it should be selective, by knowing when it could be wrong, and deferring to the GPU. To evaluate surrogates, we measure whether their forecasts are accurate, calibrated, and practically useful for recovering fast kernels under limited GPU-measurement budgets. Next, we study whether reinforcement learning can improve forecast accuracy and confidence calibration. Our experiments demonstrate that LLMs can accurately forecast relative kernel performance, that their utility can be improved through reinforcement learning. Used inside a kernel search, the surrogate lets the search consider several times as many candidates under the same GPU evaluation budget, and that leads to finding faster kernels than an equal-budget baseline. These results suggest that LLMs can play a broader role in kernel optimization, by acting as virtual models of a GPU rather than solely as kernel generators for search.
Authors: Val\'erie Castin, Kimia Nadjahi, Pierre Ablin, Gabriel Peyr\'e
Abstract: Low-Rank Adaptation (LoRA) is the most widely adopted method for fine-tuning large language models. Notably, LoRA is inherently overparameterized: multiple pairs of low-rank factors can yield the same adapted weight matrix. We show--both theoretically and empirically--that these pairs exhibit significantly different condition numbers. As a result, converging to different loss minimizers directly impacts the convergence rate of LoRA. Building on this observation, we introduce Balanced Low-Rank Adaptation (BaLoRA), a variant of LoRA that projects iterates onto a balanced manifold. This manifold improves the conditioning of the loss landscape while preserving the adapted matrix. The projection step is computationally lightweight and integrates seamlessly into existing fine-tuning pipelines. Empirically, BaLoRA converges faster than standard LoRA and achieves superior performance across a range of fine-tuning tasks.
Authors: Vincent Wang-Ma\'scianica, Nikhil Khatri
Abstract: Architecture diagrams are ubiquitous in deep learning, but they are usually only representational: the tensor-program identities they suggest are still proved by prose and tensor-axis manipulation. We introduce a formal graphical calculus for the structural fragment of tensor programming underlying einops, making such diagrams proof-enabling. Our calculus represents tensor axes as nested graded tubes around a base type. The tube boundary recovers the undirected tensor-network view of axes, while the directed interior retains the operational reading of computation graphs. The key rewrite is grade-naturality: sliding spectacles over tubes. Standard equivariance proofs become short diagrammatic derivations. We additionally demonstrate how our rewrite system may be applied to convert attention masks into pre-processing operations, recovering efficient implementations of sparse attention blocks.
Authors: Brady Exoo, Alberto Bietti, John Sous
Abstract: Large language models are able to compose skills in order to perform complex tasks, many of which might not have been seen during training. The details of how exactly this composition occurs remain elusive. In this paper, we study a mechanism for compositional generalization in transformers by considering a simple controlled setting involving variable assignment and modular addition. By partitioning our training data into disjoint sets, we observe that small transformers are able to generalize to previously unseen combinations of variables and numbers. Our mechanistic analysis shows that the same ``modular addition'' MLP module is used whether the inputs are given directly or indirectly through a separate variable assignment mechanism. We also analyze the training dynamics from an empirical lens, which reveals three phases of learning: first, modular addition is learned, then the structure required for variable assignment, and finally a refinement phase where the model generalizes to some hard sequences not seen in training. Finally, we provide a theoretical framework to explain how compositionality emerges from training dynamics. These results suggest that compositional generalization can be a natural consequence of the compositionality of internal mechanisms in~transformers.
Authors: Daniel Pe\~naherrera, Rishal Aggarwal, David Ryan Koes
Abstract: A long standing challenge in computational chemistry and biophysics is efficiently sampling the Boltzmann distribution of molecules. Advances in generative modeling have been proposed to address the limitations of conventional sampling techniques by eliminating the computational cost of simulation. A promising direction is iteratively finetuning diffusion models along a temperature ladder whereby training data is generated via importance sampling during inference-time annealing. Unfortunately, these methods require computing a divergence over the score field to estimate importance weights, rendering them intractable for larger systems. Here we present scalable inference-time annealing (SITA), which retrains flow-based models to generate samples at progressively lower temperatures using an energy-based model to facilitate fast surrogate likelihoods. We demonstrate state-of-the-art performance on both Alanine Dipeptide and Alanine Tripeptide while avoiding costly divergence terms. Our code is available at: https://github.com/countrsignal/sita.git
Authors: Daria Fomina, Daniil Krasylnikov, Alexey Boykov, Andrey Dolgovyazov, Vyacheslav Zhdanovskiy, Fedor Velikonivtsev
Abstract: Graph Neural Networks (GNNs) are bottlenecked by sparse, irregular memory access. Popular frameworks such as DGL and PyTorch Geometric support general message passing, but complex layers often materialize edge-wise intermediates, increasing memory traffic and limiting scalability on large graphs. We take an I/O- and arithmetic-intensity--centric view and show that widely used layers fall into three kernel families: SpMM-based convolutions, reduction-based aggregations, and attention-based layers (GATv2/Graph Transformer). For each family, we develop GPU kernels that reduce data movement, improve locality, and remain robust across realistic graphs. We also study graph reordering and find that its impact depends on the kernel mapping: it benefits neighbor-parallel (gather-dominated) kernels more consistently than feature-parallel designs. Empirically, our fused attention kernels reach up to $\textbf{3.9}\times$ speedup for Graph Transformer (median $\textbf{1.6}\times$), with Tensor Core (block-sparse) variants up to $\textbf{7.3}\times$ on locally dense graphs; for GATv2 we reach up to $\textbf{8.5}\times$ speedup (median $\textbf{2.0}\times$) while reducing peak memory by up to $\textbf{76}\times$ (median $\textbf{6}\times$). Our degree-aware reduction kernels achieve up to $\textbf{10}\times$ speedup (median $\textbf{2.6}\times$). For SpMM-based layers, properly cached cuSPARSE achieves up to $\textbf{8}\times$ speedup over DGL and outperforms evaluated custom baselines in the majority of evaluations. We release our implementations as drop-in replacements to support reproducible, hardware-aware GNN acceleration.
Authors: Dylan Steiner, Gustavo Arango-Argoty, Gerald Sun, Etai Jacob
Abstract: Multimodal models in oncology can produce accurate predictions, but accurate prediction does not reveal whether the model has learned biology that is shared across modalities, biology confined to one modality, or spurious correlations that reflect confounders rather than genuine biology. We introduce DECAT, a model-agnostic post-hoc evaluation framework that classifies multimodal representations into four diagnostic scenarios for a given task and modality, using five null-referenced metrics and a rule-based decision procedure. The framework operates on learned representations, requires no knowledge of which specific confounder is present, and returns indeterminate when the evidence is insufficient. We validate DECAT on synthetic data across four multimodal model classes (over 2,500 trained representations) and on real data from 8,979 TCGA patients, evaluating both multimodal embeddings and five pretrained pathology foundation models. Entangled models (e.g., CLIP) achieve near-perfect shared biology detection but falsely claim shared biology in the majority of cases where it is absent on real foundation model embeddings. This false claim rate increases with confound strength so that larger cohorts and stronger representations produce more confident but still incorrect diagnoses. Applied to both multimodal TCGA embeddings and five pathology foundation models without paired RNA, DECAT detects confounding invisible to AUROC without requiring the confounder labels, as confirmed by post-hoc stratification.
Authors: Zhikun Xu, Yu Feng, Jacob Dineen, Taiwei Shi, Jieyu Zhao, Ben Zhou
Abstract: Large language model agents trained with reinforcement learning (RL) often learn brittle, task-specific shortcuts. We hypothesize that agents generalize better when their successful trajectories are structurally compressible, decomposed into a small set of reusable abstract patterns. To formalize this, we introduce ReuseRL, which grounds agentic RL in the Minimum Description Length (MDL) principle. ReuseRL extracts a shared skill dictionary from successful trajectories and augments the RL objective with a segmentation cost, explicitly penalizing idiosyncratic behaviors that encode poorly. We prove a PAC-Bayes generalization bound for this compression penalty. Across ALFWorld, TextWorld-Cooking, and Countdown-Stepwise, ReuseRL improves in- and out-of-distribution success over vanilla GRPO and strong round-length baselines.
Authors: Elana Simon, Etowah Adams, James Zou
Abstract: Sparse autoencoders (SAEs) decompose neural network activations into interpretable features, but many learned features never activate, a problem called feature death that wastes dictionary capacity and can reintroduce superposition. Death rates vary dramatically between models: near-zero on GPT-2, over 70% on AlphaFold3 with identical configurations. We find that dimension-level activation outliers (dimensions whose mean magnitude is large relative to per-token variation) cause this by shifting pre-activations at initialization based on each feature's alignment with the activation mean. Features anti-aligned with the mean receive permanently negative pre-activations and never fire. We formalize outlier severity as $\gamma = \|\mu\|/\|\sigma\|$; it predicts initial death rates (Spearman $\rho = 0.89$ for dead-by-TopK, $0.82$ for dead-by-ReLU) across 454 model-layer combinations spanning language, vision, protein, and genomic models. Dead features can revive during training, but recovery requires the SAE bias to learn the activation mean, a process that is prohibitively slow at high $\gamma$. Mean-centering (subtracting the activation mean) sidesteps this and eliminates outlier-induced death across all tested models, confirming the mechanism and providing a principled basis for when and why this preprocessing step is necessary.
Authors: Artur Sza{\l}ata, Olga Novitskaia, Maiia Shulman, Matthew Mella, Altynbek Zhubanchaliyev, Fabian J. Theis
Abstract: Large perturbation models require training data encompassing chemical, cellular, and assay diversity. Current transcriptomic resources for small-molecule modeling, however, are fragmented across technologies, metadata conventions, controls, doses, and preprocessing pipelines. We introduce Chem-PerturBridge, a harmonized multi-dataset resource comprising over 37k compounds, 136 cellular contexts, and 1.25M transcriptomic samples across eight assay types, with standardized identifiers, metadata, and replicate-aware condition-level effects. We use the resource to evaluate matched-condition agreement across datasets and replicate agreement within datasets. Matched same-compound conditions generally show weak agreement in fine-grained logFC rankings and magnitudes across most dataset pairs, often falling below same-context different-compound baselines. In contrast, logFC direction agreement is substantially more stable and usually exceeds these baselines. We further evaluate Chem-PerturBridge as a pretraining resource for compound representation learning. Under a compound-held-out OP3 evaluation split, embeddings pretrained on Chem-PerturBridge improve over L1000-only embeddings, Morgan fingerprints, and the descriptor-free OP3 baseline across metrics. An extensive molecule-holdout evaluation across 11 datasets further shows that models trained on Chem-PerturBridge outperform or match those that are not. Chem-PerturBridge therefore supports both diagnostic evaluation of cross-dataset signature agreement and model-oriented reuse of heterogeneous perturbation transcriptomic data.
Authors: Alessandro Abate, Daniel Contro, Mirco Giacobbe, Agust\'in Mart\'inez-Su\~n\'e, Diptarko Roy
Abstract: Certification methods for stochastic systems provide sufficient proof rules, based on real-valued supermartingale certificates, to determine the almost-sure satisfaction of $\omega$-regular properties (and therefore of linear temporal logic) over general state spaces, encompassing both countably infinite and continuous state spaces. Conversely, reinforcement learning (RL) methods for $\omega$-regular tasks have received considerable attention, but they typically lack formal guarantees that the learned policy satisfies the specification, except possibly for finite state and action spaces. We bridge these two lines of research by establishing a novel theoretical connection: under an appropriate reward, the value function associated to a policy that almost surely satisfies an $\omega$-regular property encodes a Streett supermartingale certificate for that specification. Our results, validated experimentally on finite Markov decision processes, hold for finite, countably infinite, and continuous state spaces, suggesting a principled route to certificate synthesis via RL.
Authors: Andre Herz, Matthijs Pals, Daniel Durstewitz, Georgia Koppe
Abstract: Dynamical systems reconstruction (DSR) aims to learn surrogate models that capture the dynamics underlying time-series data. Reliably deploying these surrogates requires uncertainty estimates consistent with the learned dynamics. We expose a dynamic-probabilistic consistency (DPC) gap: the pursuit of finite-horizon probabilistic objectives can degrade dynamics or decouple predictive uncertainty from the local tangent dynamics it ought to reflect. We isolate three mechanisms behind this gap: core collapse, noise masking, and blind uncertainty. Specifically, we show that open-loop Gaussian rollout objectives can penalize Jacobian-generated covariance growth in chaotic systems, encouraging optimization shortcuts that weaken physical expansion or decouple uncertainty from it. To mitigate this gap, we propose KAFFEE (Kalman-Aware Framework For Ergodic Emulation), a differentiable extended Kalman filter-based training framework that evaluates likelihood on local predictive residuals (innovations) while transporting covariance through learned local Jacobians. On stochastic hyperchaotic Lorenz-96, KAFFEE reduces the identified failure modes, improves reconstruction of dynamical invariants relative to open-loop objectives, and maintains competitive predictive scores. We further show that the DPC gap appears when probabilistically adapting a DSR foundation model across 13 chaotic systems, where KAFFEE enables in-context Bayesian filtering while largely preserving zero-shot dynamics.
Authors: Felipe Urrutia, Juan Jos\'e Alegr\'ia, Cinthia Sanchez Macias, Jorge Salas, Cristian B. Calderon, Cristobal Rojas
Abstract: Transformer-based language models are widespread in today's society. As such, understanding the mechanisms by which they solve structured tasks and predicting how they may behave in novel scenarios is of great importance for safe deployment. We study the learning dynamics of attention heads in a controlled setting by training a decoder-only Transformer (GPT-J) on two structurally equivalent multi-hop reasoning tasks: a number task requiring positional reasoning and a letter task requiring symbolic reasoning. Using a recently introduced metric that classifies attention-head behavior as positional or symbolic for a given prompt, we show that successful learning is associated with the emergence of pure heads, i.e., heads that express themselves as either positional or symbolic. Despite the tasks' structural equivalence, they impose different mechanistic demands: the number task requires both positional and symbolic heads, whereas the letter task requires only symbolic heads. We then identify the computational roles of these heads, characterize the basic functions they implement, and give theoretical constructions showing how single-layer RoPE-based attention can realize these functions through geometrically interpretable query, key, and value operations. This analysis yields a quantitative separation between positional and symbolic mechanisms in their robustness to longer sequences, formalized through a novel notion of discrepancy. We empirically validate the resulting predictions in both controlled and real-world models, showing that symbolic mechanisms extrapolate more reliably to longer sequences while positional mechanisms face sharper limitations.
Authors: Jiefang Xiao, Maolin Gao, Simon Weber, Guandao Yang, Daniel Cremers
Abstract: Learning mappings between infinite-dimensional function spaces, or operator learning, is essential for many machine learning applications. Although transformer-based operators are popular, they often rely on token-wise attention. These methods treat continuous fields as discrete tokens and usually ignore the global functional structure. We introduce \emph{Functional Attention}, which reinterprets attention as a functional correspondence between adaptive bases. Inspired by geometric functional maps, our method replaces softmax affinities with structured linear operators. This yields a compact, generalizable, resolution-invariant representation that explicitly captures global dependencies. Experiments demonstrate that \emph{Functional Attention} can match state-of-the-art performance in many operator learning tasks, including solving PDEs, 3D segmentation, and regression, while remaining robust to varying discretizations. Project page is available at https://github.com/xjffff/FUNCATTN.
Authors: Kian Kenyon-Dean, Alina Selega, Ihab Bendidi, Jordan M. Sorokin, Luca Bertinetto, David Errington, Hayley Donnella, Oren Kraus
Abstract: RNA sequencing produces rich and diverse datasets of gene expression, offering compelling insights into cellular state and function that have many applications in drug discovery. Modeling such data is challenging due to inherent technical noise and experimental batch effects, as evidenced by many existing transcriptomic foundation models (FMs) underperforming relative to linear baselines. Such results raise the question of whether deep representation learning provides a distinct advantage over the direct use of raw transcript counts. Our work explores this by developing a new self-supervised model, TxFM, with a focus on inductive representation learning evaluations. TxFM employs a masked autoencoding approach tailored to diverse RNA-seq count data, and our ablation study empirically identifies crucial architecture configurations required for strong transfer performance. Additionally, we curate a public training corpus, DiverseRNA-1.4M, and find that TxFM trained on this curated dataset yields high-fidelity gene representations that outperform FMs trained on atlas-scale corpora over 100x larger. Overall, our results indicate that inductive self-supervised learning is a viable modeling approach for transcriptomics representation, provided a careful synthesis of model architecture and training data curation.
Authors: Utsav Dutta, Gerardo Pastrana, Sina Khoshfetrat Pakazad, Henrik Ohlsson
Abstract: Transformer-based architectures have advanced sequence modeling in language and vision, yet general-purpose representation learning for heterogeneous multivariate time series remains underexplored. We introduce CHARM (Channel-Aware Representation Model), which incorporates channel-level textual descriptions into a Transformer encoder equivariant to channel order. CHARM is trained with a Joint Embedding Predictive Architecture (JEPA) and a novel loss promoting informative, temporally stable embeddings; latent-space prediction encourages robustness to sensor noise while description-aware gating provides interpretability through learned inter-channel relationships. Across anomaly detection, classification, and short- and long-term forecasting, the learned embeddings achieve strong performance using only a linear probe. Performance is driven primarily by the JEPA objective and conditioning architecture, with text descriptions serving as channel identifiers for cross-dataset generalization.
Authors: Daniel Berg Thomsen, Adrien Taylor, Aymeric Dieuleveut
Abstract: Communication costs are a major bottleneck in distributed learning and first-order optimization. A common approach to alleviate this issue is to compress the gradient information exchanged between agents. However, such compression typically degrades the convergence guarantees of gradient-based methods. Error feedback mechanisms provide a simple and computationally cheap remedy for this issue, but numerous variants have been proposed, and their relative performance remains poorly understood. This paper provides tight convergence analyses for two of the main error-feedback algorithms from the literature, the classic Error Feedback method (EF) and Error Feedback 21 (EF21), by identifying optimal step-size choices and constructing optimal Lyapunov functions tailored to each method. The results hold independently of the number of agents and recover the known best guarantees possible in the single-agent regime.
Authors: Hyunwoo Oh, Hanning Chen, Sanggeon Yun, Yang Ni, Suyeon Jang, Behnam Khaleghi, Fei Wen, Mohsen Imani
Abstract: Multimodal stacks that mix ViTs, CNNs, GNNs, and transformer NLP strain embedded platforms because their compute/memory patterns diverge and hard real-time targets leave little slack. TRINE is a single-bitstream FPGA accelerator and compiler that executes end-to-end multimodal inference without reconfiguration. Layers are unified as DDMM/SDDMM/SpMM and mapped to a mode-switchable engine that toggles at runtime among weight/output-stationary systolic, 1xCS SIMD, and a routable adder tree (RADT) on a shared PE array. A width-matched, two-stage top-k unit enables in-stream token pruning, while dependency-aware layer offloading (DALO) overlaps independent kernels across reconfigurable processing units to sustain utilization. Evaluated on Alveo U50 and ZCU104, TRINE reduces latency by up to 22.57x vs. RTX 4090 and 6.86x vs. Jetson Orin Nano at 20-21 W; token pruning alone yields up to 7.8x on ViT-heavy pipelines, and DALO contributes up to 79% throughput improvement. With int8 quantization, accuracy drops remain <2.5% across representative tasks, delivering state-of-the-art latency and energy efficiency for unified vision, language, and graph workloads-in one bitstream.
Authors: Zixuan Huang, Da Chen, Kecheng Huang, Lihao Yin, Xing Li, Huiling Zhen, Mingxuan Yuan, Zili Shao
Abstract: Generating high-performance GPU kernels remains challenging due to the need for both correctness and hardware-aware optimization. While large language models (LLMs) show promise in code generation, they often fail to produce kernels that are both correct and efficient. We propose Kernel Foundry, a diagnosis-driven evolutionary framework for automatic GPU kernel optimization. Our method combines expert-guided, retrieval-augmented initialization with a multi-island evolutionary search, where candidate kernels are iteratively refined using structured diagnostic feedback. A centralized experience library accumulates reusable optimization knowledge to guide subsequent evolution, while explicit mechanisms prevent cheating behaviors that bypass kernel-level computation. Experiments on KernelBench show that our method consistently improves both correctness and performance over strong baselines, achieving up to 100% correctness on Level~2.
Authors: Dhruv Patankar, Sachit Ramesha Gowda
Abstract: Spiking Neural Networks (SNNs) offer compelling energy efficiency on neuromorphic hardware, yet their training remains challenging because the discrete spike threshold is non-differentiable. Surrogate-gradient methods sidestep this by approximating the derivative, but they impose backpropagation infrastructure that is incompatible with on-chip learning. Evolution Strategies (\es) are a natural gradient-free alternative, yet their computational cost scales with the number of parameters, making them impractical for large weight matrices. We present a method for training SNNs using EGGROLL, a low-rank factorisation of ES perturbations that reduces per-generation memory from $\mathcal{O}(mn)$ to $\mathcal{O}(r(m{+}n))$. Combining EGGROLL with a Leaky Integrate-and-Fire SNN on N-MNIST, we demonstrate that gradient-free training achieves 79.21% test accuracy while reducing per-generation wall-clock time by 2.23$\times$ relative to full-rank ES. Our results demonstrate EGGROLL is viable for SNN training, with a clear accuracy-speed tradeoff, compatible with training on neuromorphic hardware without surrogate gradients.
Authors: Mingxuan Yi, Vidal Mehra, Jing Chen, John Cartlidge
Abstract: Regime shifts in financial markets reorganise the joint dynamics of asset prices and macro variables, breaking any single-regime calibration. They are nonetheless difficult to detect reliably because the data signal is noisy and heavily multicollinear, while the contemporaneous text that announces them is unstructured. Standard regime shift detection methods rely solely on structured time-series data and ignore policy communications, even though these texts often signal shifts before they materialise in observed prices. We propose a text-enhanced regime shift detection pipeline that combines large language model (LLM) reasoning over central-bank communications with statistical validation on multivariate financial time series. The framework is detector-agnostic: text-proposed candidates are validated using a bootstrap likelihood-ratio test on a vector autoregression (VAR), while data-driven candidates from arbitrary regime detectors are ratified through a lenient LLM text check. We evaluate the framework on 2010-2024 FOMC minutes paired with a 14-variable U.S. Treasury and macroeconomic panel, using four interchangeable data-driven detectors. The proposed pipeline achieves F1 = 0.82 against a verified anchor list of monetary-policy regime shifts, with same-day modal detection latency and consistently stronger performance than pure data-driven baselines. The results demonstrate that combining unstructured policy text with statistical structural-break detection improves the robustness and interpretability of regime shift identification in financial markets.
Authors: Raul Mohedano, Thomas Batard, Erik Velasco-Salido, Ramsses De Los Santos Mendoza, Jorge H. Mart\'inez, Stacey Levine, Marcelo Bertalm\'io
Abstract: From their inception in the 1950s, artificial neural networks (ANNs) started using the so-called point neuron model then prevalent in neuroscience, hoping that this analogy would allow for a better emulation of brain function. Over the years the neuroscience literature has shown that the point neuron model is too simplistic to properly represent many fundamental neural processes; however, the standard neuron model in ANNs still remains the same. Here we substitute it by a very recent model of cortical cells and demonstrate through theoretical analyses and experimental results how, simply by using a more realistic neural unit element without augmenting the number of parameters, the resulting ANNs offer a number of important advantages that include increases in expressivity, robustness and learning speed, and a reduction in memorization and the amount of training data needed.
Authors: Mat\'ias Neto, Nicol\'as Garay, Luis Mart\'i, Nayat Sanchez-Pi
Abstract: We address the issue of global convergence in stochastic continuous optimization. For that purpose, we formulate the Canonical Evolutionary Strategy (CES) as a controlled mathematical framework to analyze global convergence in evolutionary algorithms via the semiclassical limit of a Schr{\"o}dinger-type replicator-mutator equation. We provide a rigorous hierarchy from a discrete individual-based dynamics to a deterministic mean-field limit, demonstrating that global convergence is governed by the principal eigenfunction of the underlying operator. This property, defined as Geometric Selection, naturally prioritizes robust, flat optima over narrow local traps, offering a mathematical justification for the ''survival of the flattest'' phenomenon. Moreover, unlike consensus-driven methods that are prone to premature variance collapse when the global minimizer resides outside the initial support, the replicator-mutator dynamics of CES facilitate intrinsic mass transport. High-dimensional benchmarks (d = 30) confirm this advantage, showing that CES achieves lower residual errors in shifted initialization scenarios where standard consensus-driven and gradient-based methods fail to migrate effectively. By shifting the focus from point-wise consensus to spectral concentration, our framework provides a robust theoretical foundation for global convergence in Evolution Strategies (ES) without the need for additional numerical heuristics.
Authors: Julien Testu (UB, Mnemosyne), Pierrick Legrand (ENSC, Bordeaux INP), Xavier Hinaut (Mnemosyne)
Abstract: Reservoir computing, a type of recurrent neural network, is a promising approach for temporal learning as it separates dynamic processing from the trained readout layer. However, classical Echo State Networks (ESNs) often require task-specific tuning of their architecture and hyperparameters to achieve good performance. This paper introduces EARLY (Evolutionary Algorithm for Reservoir Learning and Yielding), a framework designed to evolve both the topology and hyperparameters of multi-reservoir ESNs. Inspired by the modular organisation of the brain, EARLY encodes architectures as graph-based genomes and applies crossover, mutation, and selection to discover effective configurations. Our goal is to create both generic architectures and tasks inducing generalization. The method is evaluated on temporal learning tasks from the CogScale dataset. Results show that evolved architectures outperform those obtained with random search on several tasks and exhibit structural differences depending on task difficulty: simpler tasks yield lightweight architectures, while more complex tasks favour richer modular organisations. These findings suggest that evolutionary search can help identify reusable reservoir structures for a broader range of temporal problems. The evolved architectures are further evaluated on a cross-situational learning dataset to assess their ability to adapt to new environments.
Authors: Wei Luo
Abstract: Pattern languages are a classical model in formal language theory and algorithmic learning theory. This note formulates the problem of computing the inclusion depth of a pattern language: the length of the longest strict inclusion chain from the universal pattern language to the language generated by a given pattern. Inclusion depth captures the mind-change complexity of pattern identification from positive data. The central open question is whether the inclusion depth ID_Sigma(p) is computable for every pattern p over every finite alphabet Sigma with at least two symbols, and whether it is computable in polynomial time. A simple conjectured formula, ID_Sigma(p) = 2|p| - #var(p) - 1, would imply a linear-time algorithm. The problem connects pattern language inclusion, combinatorics on words, language identification in the limit, and mind-change-bounded learning.
Authors: Jiarong Gong, Jonas Unger, Ehsan Miandji
Abstract: 3D Gaussian Splatting (3DGS) is a promising neural scene representation for real-time rendering, but trained models often suffer from large memory footprints, limiting deployment on less powerful devices. Existing compression techniques often lead to architectures with several additional trainable parameters. While achieving outstanding compression ratios, they introduce noticeable drops in image quality. In this work, we introduce the first dictionary-learning-based compression framework for 3DGS. The proposed post-training compression pipeline can be deployed in virtually any 3DGS model without the need for re-training or modifications to existing 3DGS models. Our compression framework is straightforward to implement, yet provides significant compression capabilities, preserves image quality, and improves real-time rendering performance. Across 13 benchmark scenes, our approach achieves an average compression ratio of 3.95x, 3.10x, and 4.55x when applied to 3DGS, 3DGS-MCMC, and PixelGS, respectively. This yields consistent rendering speedups of 23.3%, 24.3%, and 25.3%, while maintaining image quality.
Authors: Hanne-Grete Alvheim, Stian Mjelde Jakobsen, Martin F{\o}re, Eleni Kelasidi
Abstract: The aquaculture industry needs to address several challenges to secure sustainable seafood production that can serve an increasing global demand. One major challenge is to ensure good fish health and acceptable welfare during production since the improvement of fish welfare is of vital importance in current and future production systems. In this study, this is addressed by developing and implementing methods to identify fish behaviors in response to intrusive objects both on individual and on a group basis. A novel approach for detecting, tracking, and estimating the 3D position of individual fish has thus been developed, and specifically designed to track the caudal fins of farmed fish in industrial sea cages. The tracking data was subjected to a novel stereo-vision method adapted to estimate fish positions, velocities, accelerations, and turning and pitch angles. Datasets obtained from industrial-scale fish farms were then analyzed to identify the impact of structures of varying shapes, sizes, and colors on fish behavior. The method was trained using manually labeled caudal fins, and used YOLOv8 with ByteTrack as an object detector and tracker, SuperGlue for matching detections in the left and right frames, and triangulation to reconstruct the 3D positions of the fish. Different image pre-processing and augmentation methods for enhancing object detection accuracy were tested and their performance compared, while RAFT-Stereo was tested for depth estimation purposes. The obtained results both validate the method's performance against previous research efforts, and demonstrate the novelty and potential of this method in providing more insight into behavioral dynamics in sea-cages.
Authors: Yujie Luo, Xiangyuan Ru, Jingsheng Zheng, Jingjing Wang, Yuqi Zhu, Jintian Zhang, Runnan Fang, Kewei Xu, Ye Liu, Zheng Wei, Jiang Bian, Zang Li, Shumin Deng
Abstract: Large Language Models (LLMs) have demonstrated strong performance on general tasks, while often struggling to adapt to specialized domains without high-quality domain-specific data. Existing LLM-based data curation methods primarily rely on human-designed workflows, leaving it unexamined whether LLMs can autonomously execute an end-to-end data engineering pipeline for model specialization. We formalize \textbf{Autonomous Agentic Data Engineering}, a novel task designed to evaluate LLMs as autonomous data engineers that drive model specialization through end-to-end data curation. We frame data as an optimizable component and study agents that plan, generate, and iteratively optimize training data across multiple domains, guided by post-training performance improvement. Experiments show that autonomous LLM data engineers yield substantial gains, as GPT-5.2 constructs a training curriculum that improves a student model by \textbf{57.29\%}, entirely through iterative, agent-driven data adaptation. By illuminating both potential and bottlenecks, our study establishes autonomous data engineering as a measurable capability and charts a path toward agent-driven model specialization\footnote{Code will be released at https://github.com/zjunlp/DataAgent.}.
Authors: Shreya Banerjee, Vinodh Raj Rajagopal Muthu, Charlie Nation, Rick P. A. Simon, Francesco Martini, Alessandro Ricottone, Federico Cerisola, Luca Dellantonio
Abstract: Finding symmetries is crucial for understanding physical models. In this work, we present an optimization framework that searches Pauli symmetries of Hamiltonians, merging the fields of machine learning with automated symmetry finding. Built on a Set-Transformer architecture, our framework uses self-attention to encode the pairwise and higher-order correlations among the Pauli-Strings. The relations are then decoded as a candidate, which is further optimized with a custom commutation-based objective, and mapped to a symmetry of the input Hamiltonian. We apply our method to random Pauli Hamiltonians, periodic one and two dimensional transverse-field Ising model and the Toric code. We show that for physical Hamiltonians (Ising and Toric), our framework succeeds with near-deterministic probability while providing substantial advantage compared to state-of-the-art strategies. For random Pauli Hamiltonians, we estimate the required computational resources, specifically the number of parallel starts and the number of GPUs, to find a symmetry with high success probability under fixed design specifications.
Authors: Moyi Tian, Daniel A. Messenger, Vanja Dukic, Nancy Rodr\'iguez, David M. Bortz
Abstract: Social systems consist of networks of individuals who influence one another through social interactions. Studying how processes evolve on these networks can help us better understand patterns of social behavior. We study a system that couples online and offline social activity and investigate how to learn effective models directly from data using Weak Form Sparse Identification of Nonlinear Dynamics (WSINDy), a method for discovering governing equations. We assess learning performance using data generated by a mean-field approximation model of a stochastic interaction process on networks and test how accurately the system can be recovered under different noise levels. Our results show that using more trajectories improves accuracy when noise is high, but only a small number of additional trajectories is needed to gain most of the benefit, with little improvement beyond that. We also learn effective ODE models from averaged stochastic data on networks. When traditional mean-field approximations fail, identifying continuum ODEs directly from stochastic processes yields efficient models that better match the data and provide deeper insight into the underlying dynamics.
Authors: Sascha Diefenbacher, Sofia Palacios Schweitzer, Gregor Kasieczka
Abstract: Generative machine learning has become an essential tool in theoretical and experimental physics, especially in the context of fast surrogates and density estimators. In this work, we first introduce the underlying framework of modern generative networks and then discuss challenges in quantifying their accuracy, precision, and statistical power.
Authors: Madhura Pathegama, Srikanth Avasarala, Viveck R. Cadambe, Juba Ziani
Abstract: We study privately estimating the sum of $n$ user-held values in the presence of an honest-but-curious server. This motivates requiring privacy not only at data release but also throughout server-side computation. We therefore adopt the local (pure) differential privacy model, in which each user transmits a noise-perturbed value. It is well known that independent local noise typically incurs a substantial utility loss compared to the centralized model, where noise is added only after aggregation. We show that this gap is not fundamental. By carefully designing correlations among the locally added noise variables, we construct $\varepsilon$-DP mechanisms whose estimation cost matches the optimal cost achievable in the centralized setting, up to an arbitrarily small error.
Authors: Doron Cohen, Aryeh Kontorovich, Yonatan Livshitz
Abstract: We present improved bounds for estimating discrete probability distributions under the $\ell_\infty$ norm. These include minimax bounds in expectation and high-probability tail bounds. We resolve some of the open questions posed in Kontorovich and Painsky (JMLR, 2025) -- including a fully empirical version of the tightest risk bound they presented and identifying the form of the worst-case extremal distribution. Encouraging empirical results are reported as well.
Authors: David Rey-Blanco, Roberto Cruz
Abstract: Sentence-embedding models for semantic search are overwhelmingly developed and evaluated on English corpora. When applied to clinical retrieval in other languages -- particularly retrieval of ICD-10-CM / CIE-10 codes -- recall degrades in ways often masked by aggregate benchmarks. We study whether large generative language models can serve as data factories to close this gap. We build a two-stage retriever (bi-encoder followed by cross-encoder reranker), fine-tuned from a Spanish biomedical encoder (PlanTL-GOB-ES/bsc-bio-ehr-es) on Gemini-generated synthetic data covering English, Spanish, Catalan, Italian, Portuguese and French, and evaluate against BioBERT-ST and the un-tuned Spanish encoder. The bi-encoder alone matches BioBERT-ST on MRR (0.876 vs. 0.866) and overtakes it on R@3 (0.650 vs. 0.626) and R@5 (0.804 vs. 0.790) without English biomedical pretraining. Adding a cross-encoder reranker lifts aggregate R@5 to 0.822 and dominates on four of five languages (+0.017 Spanish, +0.033 Catalan, +0.018 French, +0.037 Portuguese) at the cost of a small English regression. The trade-off is clinically acceptable: Portuguese reaches R@5 = 0.829 vs. BioBERT-ST's 0.714. Contributions: an open recipe for building domain-specific medical retrievers from LLM-generated data; quantification of the learning gain (MRR 0.755 to 0.876, +15.9% with ~19,500 synthetic pairs); and a characterisation of where gains concentrate by language and rank.
Authors: Qinghua (Devon), Ding, Venkat Anantharam
Abstract: We study true self-avoiding walk (TSAW) as a mechanism for improving empirical integral estimation via Markov chain Monte Carlo (MCMC). We consider finite-state adaptive sampling dynamics associated with an irreducible Markov kernel $P$ on a finite set, with stationary distribution $\pi$, in which the transition probabilities are penalized according to empirical overuse. Our main result is that the empirical occupation counts $L_t(i)$ and transition counts $N_t(i,j)$ of the resulting TSAW-based walk satisfy \[ L_t(i)-t\pi_i = O(\sqrt{\log t}) \quad\text{and}\quad N_t(i,j)-t\pi_iP_{ij}=O(\sqrt{\log t}) \qquad\text{almost surely} \] for every state $i$ and every edge $(i,j)$ with $P_{ij}>0$. Consequently, for every bounded function $f:V\to\mathbb R$, the error of our integral estimator converges as \[ \left|\frac1t\sum_{s=0}^{t-1} f(X_s)-\sum_{i\in V}\pi_i f(i)\right| = O\left(\frac{\sqrt{\log t}}{t}\right) \qquad\text{almost surely}. \] These results show that, in contrast with the usual $t^{-1/2}$ error scaling for empirical averages under standard random-walk-based methods, TSAW-based estimator yields empirical integral errors of order $O(\sqrt{\log t}/t)$ almost surely, thereby achieving a substantially sharper dependence on the sample size $t$.
Authors: Nirajan Paudel, Michael Ginn, Luc De Nardi, Alexis Palmer
Abstract: Speculative decoding has become a crucial component of large language model (LLM) inference, enabling faster generation by drafting multiple tokens and verifying them in parallel. However, small draft models tend to suffer from disproportionately poor multilingual capabilities. Thus, when generating text in a non-English language, speculative decoding is far less effective. We compare three strategies to improve speculative decoding efficiency for eleven languages: finetuning the draft model on task-specific data (translation); finetuning the draft model on unlabeled monolingual corpora; and training simple n-gram draft models on the same monolingual corpora. We evaluate efficiency on translation (from English into the target language) and the held-out task of story generation. We find that while task-specific distillation can significantly improve efficiency, distilled models generalize poorly to a new task. Meanwhile, n-gram draft models, despite lower acceptance rates, consistently provide large speed-ups due to much faster draft generation.
Authors: F. J. Beron-VEra, M. J. Olascoaga, J. Morell, E. Cruz
Abstract: Floating-material transport is influenced by unresolved processes that are often absent from available circulation products. We develop a data-driven transport-learning framework for learning effective transport corrections from limited Lagrangian observations using physically motivated ocean--atmosphere diagnostics and finite-memory representations motivated in part by inertial-particle memory effects. The diagnostic representation is analyzed through predictive and sparse symbolic-discovery approaches under leave-one-trajectory-out validation. Applications to Sargassum-following drifters in the Puerto Rico region and the Gulf Stream show that the diagnostics contain transport-relevant information beyond the baseline circulation products. Multilayer perceptron (MLP) ensembles provide flexible predictive trajectory corrections, while Sparse Identification of Nonlinear Dynamics (SINDy) tests whether instantaneous or delayed sparse symbolic transport structure can be extracted from the diagnostics. The results differ across flow regimes: (i) in Puerto Rico, delayed sparse symbolic corrections provide modest but systematic improvement; (ii) in the Gulf Stream application, dynamically useful sparse symbolic corrections remain primarily instantaneous even though delayed predictive information persists. These results support finite-memory transport effects in coarse-grained floating-material transport while also illustrating the difficulty of obtaining stable delayed sparse symbolic closures.
Authors: Faiq Shamass
Abstract: Continuous control policies trained with off-policy reinforcement learning frequently exhibit high-frequency action jitter, rendering direct deployment on physical actuators impractical. Post-hoc filtering attenuates jitter but introduces phase lag; embedding smoothness penalties in the actor's loss couples them with the RL gradient and conflates reward regression with over-aggressive smoothing. We present ZAPS-DA, a framework that reduces action jitter at deployment with negligible phase lag and no post-processing. ZAPS-DA pairs an unmodified main actor (trained by the base RL loss) with a separate decoupled actor trained via supervised imitation of zero-phase filtered targets stored in the replay buffer. The deployed policy is the decoupled actor: a feed-forward map from the current observation to a smooth action, with no inference-time filter and no action-history input -- a mechanism we term causal distillation of a non-causal filter. A magnitude-matched MSE loss provides zero-hyperparameter portability across optimizer classes. Validated with Soft Actor-Critic and a Savitzky--Golay filter in two driving simulators using paired n=150 evaluation protocols: on MetaDrive, ZAPS-DA reduces steering jitter by 14--21x and throttle jitter by 3--5x (all $p < 10^{-4}$, Bonferroni-corrected) while matching task-completion (p=0.28 success, p=0.31 crash) at a 6.3% reward cost; on a custom Webots adaptive cruise control environment, the same SG configuration produces a Pareto improvement -- reward parity (p=0.121), 8--45x steering jitter reduction, and total task-failure rate reduced from 2.0% to 0.7%.
Authors: Ryan Fahey
Abstract: Over the past year, prompt caching in Large Language Models (LLMs) has become increasingly more popular across inference APIs. Prompt caching helps save precious compute resources and speeds up response times by reusing parts of the KV cache of a specific prompt for another request. However, many implementations of prompt caching are not secure against timing attacks or even basic metadata disclosure. Gu et al. (ICML 2025) develop a method to audit prompt caching in LLMs. This paper investigates whether OpenRouter's API gateway architecture introduces prompt caching vulnerabilities that bypass provider-level prompt cache isolation guarantees. Most LLM inference providers implement per-account or per-organization prompt caching to prevent data leaks, but does routing through OpenRouter with shared organizational credentials inadvertently create global cache sharing across all OpenRouter users?
Authors: Rattana Pukdee, Maria-Florina Balcan, Pradeep Ravikumar
Abstract: Best-of-$N$ sampling is widely used to construct pairwise preference data: $N$ candidates are drawn from a base distribution, and the best is paired with a rejected response. Despite its widespread use, what Bradley--Terry (BT) reward learning extracts from such data, and how to choose $N$ and the base distribution, remain unclear. We specialize a recent analysis of preference data via its induced conditional distribution to Best-of-$N$. For independent-reference variants, we derive closed-form reward targets as explicit functions of $N$ and the base distribution, and show that they preserve the latent reward ranking. For the practical Best-vs-Random and Best-vs-Worst variants, chosen and rejected responses are coupled through the same candidate set, so exact BT representability generally fails; nevertheless, bounded-class minimizers approach the reference targets as $N$ grows. Although margin and connectivity are known to govern sample efficiency in pairwise preference learning, Best-of-$N$ couples them through $N$ in opposing directions: larger $N$ widens pairwise margins but reduces connectivity. This trade-off yields two design principles: use larger $N$ when preference labels are the bottleneck, smaller $N$ when generation is the bottleneck; and shape the base distribution to place mass between the responses whose comparison matters most at test time. Experiments on synthetic and real preference data support the predicted dependence on sample size and base-distribution shape.
Authors: Elahe Delavari, Junaid Farooq
Abstract: Open radio access network (O-RAN) architectures enable near real-time, software-driven control of network slicing through programmable xApps deployed on the near-real-time RAN Intelligent Controller (near-RT RIC). In industrial 5G downlink systems, adversarial jamming can abruptly reduce the effective physical resource block (PRB) capacity, triggering queue buildup and persistent latency violations, particularly in the presence of low spectral efficiency cell edge user equipments. This paper proposes a reserve-based resilience framework for PRB allocation in sliced O-RAN deployments. A finite pool of reserved PRBs is controlled by a near-RT RIC xApp that provides hybrid mitigation by proactively clearing backlog to build latency margin and reactively allocating reserve capacity during jammer active intervals. We formulate reserve activation as a constrained sequential decision problem and design a masked Deep Q-Network to learn effective control policies under non-stationary jamming. Simulation results show substantial reductions in URLLC latency violations and improved reserve efficiency compared to reactive baselines.
Authors: Mikhail L. Arbuzov, Lee Mosbacker, Sisong Bei, Ziwei Dong, Dmitri Kalaev, Alexey Shvets
Abstract: Universal LLM reliability is not a finite-library problem: across all possible tasks, tools, schemas, knowledge sources, and evaluator expectations, new intervention-distinguishable failure modes can appear without bound, so no finite intervention dictionary can guarantee bounded residual error for every such mode. But deployed systems do not operate over the whole universe. They operate inside operationally bounded patches (legal review, medical RAG, code repair, customer-support agents, contract extraction) with recurring tasks, schemas, tools, and evaluator expectations. Within such patches, empirical evidence suggests failures are sparse, repetitive, and concentrated in a small recurring catalogue, so reliability becomes a local catalogue-discovery and intervention-coverage problem rather than an exponential token-length problem. We formalize this transition with two propositions and one corollary. Proposition 1 is the worst-case-mode-wise negative result: no finite intervention dictionary covers every distinguishable failure mode of an unbounded domain. Corollary 1 is the inverse-discovery implication: the logarithmic upper bound on mode discovery cannot accommodate linearly more distinct tail modes without exponentially more observed hard-failure events. Proposition 2 is the positive patch-local result: under log active-mode exposure and head-heavy coverage, a sufficient per-hard-decision intervention budget grows polylogarithmically in sequence length and becomes domain-constant once the patch catalogue saturates. The framework relocates rather than dissolves long-context difficulty: where the number of hard decisions itself grows with task length, reliability remains hard; the contribution is to identify the on-axis intervention rather than to make those regimes easy.
Authors: Arunkumar Kannan, Yanbo Zhang, Han Liu, Michael Baumgartner, Jianing Wang, Alexander Hertel, Bogdan Georgescu, Sasa Grbic
Abstract: While automated diagnosis systems have achieved remarkable success in computed tomography (CT)-based lung cancer screening, their development remains limited by the scarcity of diverse, annotated pulmonary nodule datasets. Diffusion-based generative models offer a promising strategy for data synthesis; however, many existing conditional approaches primarily optimize spatial reconstruction losses, which encourage voxel-wise similarity but may inadequately constrain lesion-level intensity distributions. As a result, these methods may produce over-smoothed texture profiles and underrepresent the distinct attenuation characteristics of different nodule subtypes, including solid, part-solid, and ground-glass nodules. To address this challenge, we propose a controllable latent diffusion model that synthesizes pulmonary nodules within full 3D CT volumes while accurately modeling nodule-specific intensity distributions. Specifically, rather than relying solely on spatial losses, we introduce a histogram-based regularization term that constrains voxel intensity distributions during the generative process. The model combines subtype, spatial mask, and Hounsfield unit (HU) histogram conditioning with the differentiable feature-space histogram regularization term to better align lesion-level intensity distributions, improving the visual plausibility and subtype consistency of synthesized nodules. Extensive experiments on lung CT data demonstrate that our framework achieves strong visual realism, validated through both quantitative metrics and a visual Turing test. Furthermore, when used for data augmentation, the generated nodules improve performance in downstream clinical tasks, particularly for underrepresented nodule subtypes, and show a potential benefit for subtype-informed malignancy classification.
Authors: Aritra Dasgupta, Naga Datha Saikiran Battula, Avina Nakarmi, Sohom Sen, Subhodeep Ghosh, Xun Song
Abstract: We introduce Rationalize, a role-pair framework for shared semantic reasoning between humans and AI models in data-driven sensemaking. Building on ideas in human-machine teaming and critical thinking, we conceptualize human-AI interaction as a series of complementary role pairs (Explorer-Guide, Investigator-Informant, Teacher-Student, Judge-Advocate) operating in a shared reasoning space. In this space, human analysts and AI models (such as LLMs) make purposes, questions, assumptions, evidence, inferences, and implications explicit, facilitating alignment not only at the output level but at the level of rationalization of intent and action by each side. We relate these role pairs to the bidirectional human-AI alignment framework, illustrating how "aligning AI to humans" and "aligning humans to AI" differ by role, and sketch a collaborative research agenda for alignment design and assessment using element-level and role-specific approaches.
Authors: Mohammadreza Rashidi
Abstract: ReAct agents that interleave chain-of-thought reasoning with tool calls are increasingly deployed for real tasks such as scheduling, file retrieval, and data access. Their tool observation loop creates a direct attack surface: an adversary who controls any tool's return value can embed instructions that redirect the agent away from the user's goal, a threat known as indirect prompt injection. Existing benchmarks evaluate attack success rate (ASR) at a fixed injection position under fixed conditions, leaving three risk dimensions unexplored: where in the tool sequence the payload appears (injection depth), what rhetorical register it uses (framing), and how many turns the agent is permitted (turn cap). We conduct four controlled studies on 20 scenarios spanning five attack categories, totalling 460 trials against GPT-4o-mini and Claude Haiku at a combined API cost under 0.36 USD. Study 1 shows that ASR against GPT-4o-mini decays from 60% at depth 1 to 0% at depths 4 and 5 (Cramer's V = 0.58, p < 0.001; restricted to within-sequence depths 1-3: V = 0.47, p = 0.0013), driven by model resistance at depth 1 and task completion before payload encounter at deeper positions. Study 2 replicates the depth experiment on Claude Haiku, which achieves 0% ASR at every depth through a combination of conservative tool invocation and genuine instruction resistance. Study 3 shows that framing modulates ASR between 25% (neutral) and 75% (persona) at depth 1, a 50-percentage-point range that does not reach statistical significance at N = 20 per condition. Study 4 confirms that ASR is stable across turn caps of 3, 5, and 7, indicating the turn budget is not a risk factor in this setting. Our results establish injection depth as the dominant variable and show that sanitising only the first tool observation captures 67% of measured injection successes.
Authors: Erick Oliveira Rodrigues, Aura Conci
Abstract: This work introduces mathematical morphology-an established visual computing theory-into machine learning to exploit shape and density aspects often overlooked by standard techniques. We propose a fast clustering algorithm based on morphological reconstruction that accurately preserves cluster shapes and density. This scheme offers unique features: an intrinsic sense of maximal clusters, cost-free noise removal, and diverse growth patterns controlled by structuring elements.Additionally, we propose a novel distance metric combining Minkowski and Chebyshev distances, highly efficient for morphological dilations. In $Z^2$ discrete neighbourhood iterations, it is roughly 1.3 times faster than Manhattan and 329.5 times faster than Euclidean distances. When evaluated using a k-Nearest Neighbours (k-NN) classifier across 33 UCI datasets against 14 other distances, our metric achieved above-average accuracies most frequently (26 of 33 cases) and the best overall accuracy in 9 cases.Finally, we introduce novel morphological classifiers. Unlike current literature, this proposal uniquely models shape, density, and fractal information in datasets.
Authors: Sunghyun Kim, Jaehoon Hahm, Jeongwoo Shin, Joonseok Lee
Abstract: Geometry-aware generative models and novel view synthesis approaches have shown strong potential in visual fidelity and consistency. In parallel, equivariant representation learning has emerged as a powerful framework for constructing latent spaces where analytically known group transformations could act directly, capturing geometric structure in data and enhancing both interpretability and generalization in novel view synthesis. However, we identify that existing approaches often suffer from latent misalignment, a discrepancy between the intended group action and the actually required transformations in the latent space. Consequently, the learned latents often fail to consistently preserve the equivariant relations imposed by the underlying group symmetry. To address this, we propose Residual Latent Flow, a flow-based framework that corrects the misaligned latents, thereby improving compliance with the underlying equivariance relation. Our comprehensive experiments show that our method significantly reduces latent misalignment and improves novel view synthesis quality, under rotation groups SO(n).
Authors: Sijia Wang, Dhanajit Brahma, Ricardo Henao
Abstract: Agentic LLMs must continuously decide whether newly extracted facts should be added, merged with existing memories, or ignored, yet prior work has focused more on retrieval and storage than on principled write-side control. We frame memory evolution as a novelty-detection problem and propose SAGE, a Spherical Adaptive Gate for memory Evolution that scores candidate facts with a von Mises-Fisher-based density estimator over memory embeddings and routes them with an adaptive threshold that tracks memory-store geometry. SAGE resolves clearly novel facts as ADD, clearly redundant facts as NOOP, and sends only uncertain cases to an LLM merge step, reducing expensive write-time reasoning. On LoCoMo, SAGE achieves the best average token-F1 against Mem0 on all seven open-weight backbone comparisons, while on GPT-4o-mini it reduces add-phase API cost by 3.4$\times$ and add-phase latency by 2.5$\times$ with only a small average judge-score gap. As a drop-in binary gate for A-Mem, SAGE skips roughly 16-18% of LLM calls across five models with minimal quality change on open-weight backbones. These results suggest that novelty-aware write control is a practical lever for improving both memory quality and system efficiency in long-term agentic memory.
Authors: Joseph Wilson, Chris van der Heide, Liam Hodgkinson, Fred Roosta
Abstract: Epistemic uncertainty quantification (UQ) for deep neural networks (DNNs) is a requirement for safe adoption of AI in mission-critical settings. Several leading methods for UQ linearize DNNs to form Bayesian Generalized Linear Models (GLMs), where epistemic uncertainty is modeled via the predictive posterior distribution. Linearizing around the parameters of the final connected layer of a DNN is a commonly used approximation for reducing the computational burden of such GLMs, though it is often believed to come at the cost of degraded performance. In this work, we compare GLMs arising from full-network and last-layer linearization using both theoretical and empirical approaches. We first employ tools from random matrix theory to conduct a theoretical comparison; this analysis reveals no meaningful improvement in the UQ capabilities of full linearization. Coupled with a large-scale empirical evaluation across a range of modern machine learning tasks, we arrive at the following conclusion: a last-layer approximation yields comparable UQ performance while offering substantially improved computational efficiency.
Authors: Mujing Li
Abstract: Pairwise preference data is widely used in language-model evaluation and alignment, often for model ranking, reward modeling, or preference optimization. This note formulates a more basic measurement question: given a reference distribution of pairwise preferences, what model-level quantity is estimated when we test whether a model ranks preferred responses above rejected responses? We define pairwise reference alignment as an ordinal observable induced by a model scoring function. Given a reference pair distribution $P_{\mathrm{pair}}$ over triples $(x,y^+,y^-)$, and a scalar model score $S_M(x,y)$, we define the alignment observable as the probability that the model-induced ordering agrees with the reference preference ordering. We further define a centered order-parameter-like statistic and discuss a margin-based extension. The resulting quantities admit simple finite-sample estimators and concentration bounds under independent sampling assumptions. This note does not introduce a new benchmark. It provides a conceptual and statistical formulation for pairwise reference alignment, clarifies the role of the reference pair distribution, and distinguishes the general ordinal observable from scoring choices such as normalized log-probability or energy-based scores. We also provide an initial empirical study on Qwen2.5 models and RewardBench, where the proposed statistics increase with model size and instruction tuning and vary across reference-pair subsets as predicted by the formulation.
Authors: Purvam Jain, Preethi Jyothi, Vihari Piratla, Suvrat Raju
Abstract: We introduce a set of synthetic algorithmic tasks to detect cross-lingual gaps in the abilities of large language models. Our benchmark is commensurate across languages, since it requires models to perform the same underlying task in different languages; scalable, since each task can be generated at varying levels of complexity allowing it to be adapted to models with different capabilities; quantifiable, since every task admits an objective notion of correctness; and transparent, since tasks are generated from simple templates that can be readily audited for translation errors. Because our benchmark focuses on algorithmic tasks, differential performance is a sufficient -- but not necessary -- indicator of cross-lingual gaps. Nevertheless, we show through extensive experiments that our benchmark exposes persistent cross-lingual gaps in multiple state-of-the-art models.
Authors: Fengyu Gao, Jing Yang
Abstract: Preference alignment is a crucial post-training step for large language models (LLMs) to ensure their outputs align with human values. However, post-training on real human preference data raises privacy concerns, as these datasets often contain sensitive user prompts and human judgments. To address this, we propose DPPrefSyn, a novel algorithm for generating differentially private (DP) synthetic preference data to enable privacy-preserving preference alignment. DPPrefSyn is a principled framework grounded in the Bradley-Terry preference model and the intrinsic geometric structure of pairwise human preference data. It first learns an underlying preference model from private data with formal differential privacy guarantees, and then leverages the learned model together with public prompts to synthesize high-quality preference data. It exploits the shared linear structure of per-cluster reward models to effectively capture heterogeneous human preferences in private datasets, and leverages DP Principal Component Analysis (DP-PCA) to improve learning accuracy. Extensive experimental results demonstrate that DPPrefSyn achieves competitive alignment performance under strong DP guarantees. These findings highlight the potential of synthetic preference data as a practical alternative for privacy-preserving preference alignment across a broad range of applications. To the best of our knowledge, this is the first work to generate DP synthetic preference data for LLM alignment. Our code is available at https://github.com/gfengyu/Differentially-Private-Preference-Data-Synthesis.
URLs: https://github.com/gfengyu/Differentially-Private-Preference-Data-Synthesis.
Authors: Pawel Dabrowski-Tumanski, Bartosz Topolski, Dariusz Plewczynski, Tomasz Jetka
Abstract: Activity cliffs, structurally similar compounds with large potency differences, are widely treated as intrinsic features of chemical datasets. We argue that apart from target biology, much of our cliff understanding is a consequence of the geometry induced by the chosen molecular representation, not a property of a molecule pair itself. We designed a six-step pipeline to systematically test this hypothesis. The pipeline consists of: assessing pairwise distance geometry, cliff enrichment, activity gradient distribution, persistent homology of the cliff subspace, predictive benchmarking for a chosen pair of an embedding and a metric, and eventually, analysis of the matched molecular pairs and stereoisomers. We applied the pipeline to fifteen configurations of embeddings and metrics to build a benchmark across three distinctive datasets known of activity cliffs challenges. No representation excels on all criteria: Morgan Tanimoto provides the strongest cliff enrichment and cross-scaffold generalization; MolFormer cosine provides the only meaningful stereochemical sensitivity; MACCS and RDKit Dice fingerprints are most sensitive to matched-molecular-pair transformations; ChemBERTa fails uniformly due to embedding collapse. These findings are not a ranking. They reflect the fact that different representations encode different aspects of molecular recognition, and that choosing one implicitly defines what an activity cliff actually is.
Authors: Shuhao Zhang, Jiarui Li, Qi Cao, Ruiyi Zhang, Pengtao Xie
Abstract: Prompt-injection detectors are heterogeneous: each is strong on a different slice of attacks, and none is always reliable. Yet existing systems still treat detection as a fixed single-detector pipeline, committing every request to one detector's blind spots. We reframe defense as detector allocation: given a heterogeneous pool, decide per request which detectors to run and whether to escalate to an LLM judge. Our framework SCOUT (Scalable and Controllable Outcome-prediction for Uncertainty-aware Triage) makes this decision dynamic by predicting each detector's per-sample reliability and latency from how it behaved on similar past inputs, and exposes a single safety-utility threshold to the operator (where utility bundles benign-pass rate and wall-clock). To evaluate this setting, we build SCOUT-450, a benchmark that captures the structurally complex, agent-facing injections that older prompt-injection sets under-represent. On SCOUT-450, a safety-oriented operating point reduces attack-success rate by 46% and total wall-clock by 40% relative to an always-on GPT-4o judge, at a 5.1-point benign-utility drop. SCOUT also transfers to three external benchmarks (BIPIA, IPI, and IHEval), improving the safety-utility frontier.
Authors: Boris Hanin, Tianze Jiang
Abstract: A central aim of deep learning theory is to characterize how neural networks make predictions in the regime of simultaneously large model and training set size. Since the limits of diverging number of model parameters and dataset size do not commute it is not clear a priori what limits exist. In this work, we shed new light on these questions by studying Bayesian inference in deep non-linear MLPs in the regime where the number of training samples ($P$), the input dimension ($N_0$), the hidden layer width ($N$), and the number of hidden layers ($L$) can all be large. We build on the Neural Covariance SDE (Li et al., 2022) to analyze predictive posteriors in the regime where $LP/N\in\Theta(1)$, playing the role of an effective network depth. Our framework covers both smooth and ReLU activation functions and applies to arbitrary temperature. We find to first order in $LP/N$ a simple criterion for which data generating processes benefit from depth in the sense that larger $LP/N$ increases the Bayesian model evidence. We also give a novel derivation of a prior result from the physics literature that at least to first order in $LP/N$, the Bayesian predictive posterior is remarkably simple and is simply equivalent to that of a data-dependent kernel method.
Authors: Jaewoong Heo, Daniel K. Park
Abstract: Many practically relevant applications of quantum machine learning involve classical data, for which performance depends critically on how inputs are embedded into quantum states. Yet the use of a fixed embedding circuit ansatz remains standard practice. We propose an energy-based generative learning framework that synthesizes gate sequences to optimize embedding structures and refine data-tailored parameters, using a fidelity-based surrogate objective to guide the search toward improved class distinguishability. Empirically, the method improves classification performance across diverse settings, while also revealing datasets where architecture search within the present embedding family yields only limited additional gains. We explain this saturation by deriving bounds on the achievable empirical risk in terms of the Wasserstein distance in the input space, showing that classical data geometry provides an \emph{a priori} diagnostic for regimes in which substantial gains from embedding optimization are unlikely. The results establish a practically useful and theoretically motivated framework for searching effective quantum data embeddings through generative optimization, with the attainable gains diagnosed through the geometry of the underlying classical data.
Authors: Etinosa Osaro, Santosh Adhikari, Stamatia Zavitsanou, Kelsey Parker, Dario Rocca
Abstract: Constructing production-quality machine-learned interatomic potentials (MLIPs) requires balancing accuracy, dynamical stability, and computational throughput under constraints that are not captured by a single training loss. We introduce MLIPilot, an auto-research framework in which tool-calling large language models propose hypotheses, edit MLIP training code, launch HPC jobs, and accept or revert changes using a fixed, physically constrained scorecard. We evaluate MLIPilot on MACE potential optimization using both commercial and open-weight LLM agents, including GPT-5.5, GPT-4.1, Mistral-24B, and Qwen3-32B. The benchmarks span molecular and periodic settings: a QM7-derived dataset for which we generated B3LYP/6-31G(d) energies and forces, and a Cu EMT dataset with periodic copper supercells labeled by ASE's Effective Medium Theory calculator. Across these benchmarks, the strongest agents move initially constraint-violating baselines to accepted models by discovering useful training strategies, including output normalization, loss-function changes, progressive training schedules, and model-capacity adjustments. These results suggest that LLM agents can serve as autonomous operators for scientific machine-learning workflows when their search is constrained by domain-specific validation criteria, shifting part of MLIP development from manual trial-and-error toward auditable, automated experimentation.
Authors: Zihao Chen
Abstract: Anchored fixed point and monotone equation methods, including Halpern iteration, extra anchored gradient, and their relatives, add a vanishing pull toward a reference point to obtain last-iterate guarantees. Existing anchored variants often achieve sharp last-iterate guarantees, but from the update-level perspective the placement of the anchor can be algorithm-specific and conceptually opaque. We show that anchoring admits a single operator-side construction: regularize the operator queried by the base method with a vanishing Tikhonov term, then run the unmodified base method. Applied to the Picard iteration, this recipe reproduces the Halpern iteration; applied to the forward step, extragradient (EG), and past extragradient (PEG, also known as Popov's method), it yields three variants whose anchor placements inherit the base method's query pattern. The forward-step instantiation gives a new residual convergence guarantee, while the EG and PEG instantiations give new regularized variants. The four analyses share a residual recurrence, recovering the $O(1/k)$ Halpern residual-norm convergence rate, giving $O(1/\sqrt{k})$ for the regularized forward step, and giving $O(1/k)$ for the regularized EG and PEG variants in the unconstrained monotone Lipschitz setting.
Authors: Srivatsa Kundurthy, Clara Na, Colton Moraine, Anoushka Mohta, Case Winter, George Fang, John Ling, Emma Strubell, Zach Kirshner
Abstract: We present BlueFin, a benchmark that tasks large language model (LLM) agents with synthesis, manipulation, and comprehension tasks over spreadsheet workbooks in the professional finance domain. Though estimates of the global population of paying users of spreadsheet software range in the hundreds of millions -- an order of magnitude more than the estimated global population of professional developers -- comparatively fewer resources have been devoted to exploring and expanding LLM capabilities in the spreadsheet domain, with fewer still dedicated to mirroring real occupational tasks encountered by those in professional finance roles. In response, we curate a set of 131 challenging, complex tasks with real-world relevance in the domain, containing 3,225 granular rubric criteria; notably, our rubric criteria and LM judge evaluations are validated by a team of expert human annotators, resulting in high-quality, granular evaluations of complex tasks that are difficult to verify programmatically but can be reliably evaluated by an LM judge agent. Our judge achieves parity with expert consensus ($\alpha=0.826$) with a macro-F1 score of 0.839. Frontier LLMs demonstrate poor performance on the challenging benchmark, with the strongest LLMs achieving less than 50\% average scores across tasks -- models exhibit particular weaknesses in dynamic correctness. Our contributions include a dataset of examples across three categories of spreadsheet tasks, an open source harness and agentic evaluation framework, and a characterization of existing frontier models' performance on our benchmark.
Authors: Ivan Lau, Daniel McMorrow, Kevin Jamieson, Jonathan Scarlett
Abstract: We study stochastic linear bandits under a natural combination of batching and communication constraints: the time horizon is partitioned into batches of equal size $B$, and during each batch the learner sends $B$ requested arm pulls to an agent, who then observes the corresponding $B$ rewards and responds with a single bit of feedback to the learner. For each batch, the learner specifies the 1-bit quantization rule the agent uses, which may depend on all previously received bits but not on any past rewards directly. This setting addresses a significant yet unexplored ``middle ground'' between previous models having per-round quantization only or total bit budgets only. We establish a minimax lower bound showing that $\Omega(B\min\{d,\log\lvert \mathcal{A} \rvert\})$ regret is unavoidable due to the 1-bit communication bottleneck, even in the absence of noise. Combined with standard statistical limits, this yields a general lower bound of $\widetilde{\Omega}(B\min\{d,\log\lvert \mathcal{A} \rvert\} + \sqrt{dT \min\{d,\log\lvert \mathcal{A} \rvert\}})$. We develop two phased-elimination algorithms based on $G$-optimal designs and 1-bit mean estimation. The first achieves $\widetilde{O}(dB + d\sqrt{T})$ regret, matching the lower bound up to logarithmic factors when $\lvert \mathcal{A} \rvert = \exp(\Omega(d))$, and the second incorporates a safe-arm identification and warm-start procedure to obtain $\widetilde{O}(B\log\lvert \mathcal{A} \rvert + d^{3/2}\sqrt{B} + \sqrt{dT\log\lvert \mathcal{A} \rvert})$ regret, which is near-optimal in broad scaling regimes of $(\lvert \mathcal{A} \rvert, B, d, T)$. Together, our results demonstrate that a single bit of feedback per batch suffices to nearly match the minimax regret of unconstrained linear bandits in broad scaling regimes, even for batch sizes as large as $\Theta(\sqrt{T})$.
Authors: Riju Marwah, Ritvik Garimella, Vishal Pallagani, Atishay Jain, Michael Stewart, Amit Sheth
Abstract: Autoregressive language models frequently degrade during long-horizon generation, producing repetitive text, losing instruction adherence, and exhibiting unstable entropy. Despite the prevalence of these failures, practitioners lack online diagnostics to detect them in real-time as they occur. We formalize this degradation as cognitive fatigue, a measurable generation-time state characterized by decay in attention to the original prompt, representational drift, and entropy miscalibration. We introduce the Fatigue Index (FI), a lightweight, model-agnostic diagnostic that aggregates these three signals under explicit axioms (monotonicity, boundedness, interpretability) enabling reliable runtime monitoring. Across nine models (1B-13B parameters), FI trajectories exhibit structured temporal dynamics, predict task degradation (AUROC = 0.95) and repetition (Spearman rho = 0.94), and reveal non-monotonic scaling behavior: instruction-tuned models below 3B exhibit faster collapse than base models, with this trend reversing at 7B. Stress analyses further show that FI onset accelerates under longer contexts, middle-positioned evidence, and reduced numerical precision. These results establish cognitive fatigue as a coherent and measurable phenomenon, and position FI as a principled tool for runtime reliability monitoring in production LLM systems.
Authors: Tobias Wegel, Federico Di Gennaro, Geelon So, Fanny Yang
Abstract: When a learner faces a new task with few samples, it must leverage any available side information. In practice, this often comes in the form of model evaluations on related tasks in public benchmarks. A key question then is how to model task relatedness such that it is both realistic and the benchmark evaluations lead to provable gains. Empirically, we observe that weak monotonicity is often approximately satisfied: if a model dominates another on many benchmarks, it also tends to outperform on the new task. We explore the statistical complexity of learning under (approximate) weak monotonicity, leveraging it within two learning paradigms: transfer learning and model selection aggregation. We show that not only can we prune the model class based on monotonicity, but we can also further adapt to the geometry of the available trade-offs by hedging on the frontier.
Authors: Yuejie Wang, Tao Chang, Yuanyuan Zhao, Yulong Ao, Zeyu Gu, Zhiyu Li, Yanmin Jia, Yan Zhang, Mingjun Zhang, He Liu, Yongzhe He, Yonghua Lin, Guyue Liu
Abstract: Training Large Language Models (LLMs) on heterogeneous clusters presents significant challenges for collective communication, as hardware from multiple vendors introduces diverse network and computational characteristics. Existing collective communication frameworks (e.g., NCCL, RCCL) designed for homogeneous environments fail to address mixed-hardware setups, while communication libraries with heterogeneous support (e.g., Gloo, OpenMPI) incur heavy overhead in the data path. This paper presents HetCCL, a framework that enables heterogeneous collective communication by efficient P2P transport across heterogeneous devices (e.g., GPUs), eliminating the host-device memory copy overhead while offloading the control to the CPUs. For combining collectives (e.g., AllReduce, ReduceScatter), HetCCL introduces a border-communicator mechanism that achieves vendor independence by using the intrinsic reduction in the combining collectives in vendor collective communication libraries. With efficient heterogeneous P2P transport and portable reduction mechanism, HetCCL proposes a hierarchical topology abstraction for heterogeneous clusters, dissecting collective communication into cluster-level primitives that guarantee optimal cross-cluster data transfer volume and optimal bandwidth utilization. We implement HetCCL with 4 different vendor support and evaluate it in 4 heterogeneous settings with benchmarks and end-to-end LLM tasks. Our evaluation shows that HetCCL achieves 17-19x higher bandwidth than Gloo in heterogeneous communications, and speeds up end-to-end training by up to 16.9% in the per-step-time.
Authors: Atahan Karagoz
Abstract: Current alignment paradigms for generative artificial intelligence rely predominantly on monolithic benchmarking frameworks that reduce the plurality of human judgment to aggregated statistical baselines, thereby obscuring cultural, demographic, and contextual variability in evaluation. We introduce a state-space constrained emulation framework for AI evaluation that replaces singular assessment functions with a structured manifold of synthetic cognitive profiles representing diverse human perspectives. We show that modern generative architectures can instantiate and maintain these evaluative personas with high consistency, enabling a form of pluralistic, perspective-dependent benchmarking that more closely reflects real-world consensus variability. However, we further analyze the stability of these simulated evaluators under sequential inference and stochastic prompt perturbations, revealing systematic degradation in persona coherence that manifests as state-space drift and semantic inconsistency. These findings suggest that static alignment constraints are insufficient for sustaining robust evaluative behavior over time. Instead, we argue for the necessity of embedding dynamic, viability-driven regulatory mechanisms within generative systems to preserve coherent cognitive emulation. By framing persona-based evaluation as a structured dynamical system over latent representation manifolds, this study provides a foundation for more adaptive, human-aligned, and context-sensitive approaches to AI evaluation.
Authors: Mohamad A. Hady, Muhammad Anwar Masum, Siyi Hu, Mahardhika Pratama, Jimmy Cao, Ryszard Kowalczyk
Abstract: This work addresses the problem of autonomous resource management in heterogeneous satellite cluster conducting Earth Observation (EO) missions including optical and Synthetic Aperture Radar (SAR) satellites. In autonomous operation mode, satellites are equipped with intelligent capabilities enabling real-time decision-making based on the latest conditions, while requiring minimal interaction with ground operators. Traditional scheduling approaches typically rely on mathematical models to represent satellite mission and resource management. Then, this problem is solved by using optimization algorithms. However, such solutions become less effective when the underlying models are not available, over complex, and inaccurate due to dynamic changes and uncertainties inherent in the space mission environment. A promising alternative is to reformulate the problem as a sequential decision-making process and apply model-free reinforcement learning techniques to enable adaptive and real-time resource management. To this end, we propose a novel transformer-based architecture tailored for heterogeneous satellite cluster autonomous EO Mission with relational observations-actions tokenization and differential attention mechanism. Our experimental results demonstrate significant performance improvements compared to the available baselines. Moreover, the proposed architecture exhibits strong adaptability and transferability with respect to varying numbers of satellite clusters.
Authors: Ashwinkumar Badanidiyuru
Abstract: Online advertising platforms rely on machine learning models to predict click-through rates (pCTR) and conversion rates (pCVR) for auction mechanisms. We introduce a novel framework to study the interaction between recommender system model quality, auction format, and autobidder behavior. We formalize when model improvements -- defined via a refinement relation inspired by filtrations in probability theory -- lead to improvements in platform-level Evaluation Criteria Metrics (ECM) such as revenue, welfare, or liquid welfare. Our main contributions are: (1) a formal definition of model improvement based on cluster refinement, and (2) a systematic characterization of ECM monotonicity across different combinations of bidder types (tCPA, max-CPA), auction formats (first-price, second-price, VCG), and budget constraints. We show that first-price auctions with uniform bidding guarantee revenue monotonicity for tCPA bidders without budgets (via Jensen's inequality), while second-price auctions and budget constraints can break this property. We provide full numerical constructions for the non-monotonicity results. Our findings have practical implications for advertising platforms seeking to align model improvements with business outcomes.
Authors: Isabella Costa Maia, Pedro L. C. Rodrigues, Salem Said, Marco Congedo
Abstract: Cross-domain EEG decoding remains challenging despite advances in Riemannian deep learning: covariance matrices from different subjects occupy systematically distinct regions of the SPD manifold, yet existing domain adaptation methods either require target-domain calibration data or learn subject-specific components that cannot generalise across domains. We propose dynamic Stiefel routing: a pool of $K$ expert projection filters on the Stiefel manifold, each specialised for a different region of the SPD manifold, with each input covariance routed to the most appropriate filter via cross-attention, adapting the subspace projection per sample. A central finding is that this approach, implemented naively, provably collapses to ensemble averaging: when routing weights are uniform, the adaptive filter reduces exactly to an equal-contribution combination of experts, indistinguishable from a single fixed filter. Three structural properties break this degeneracy: a symmetric anchor $W_{\mathrm{base}} \in \mathrm{St}(n,k)$ that removes proximity bias among experts; a frozen domain-discriminative query encoder that decouples routing from task optimisation; and a decoupled key alignment loss that trains expert keys toward stable domain attractors. Together they produce the first genuinely committed and domain-structured routing on SPD manifolds, with consistent gains across three datasets: balanced accuracy improves from $0.773\to 0.823$, $0.757\to 0.809$, and $0.801\to 0.839$, with the alignment strategy determined automatically by a single data-driven rule and no dataset-specific hyperparameter search.
Authors: Gael Glorian, Ioannis Lamprou, Zhen Zhang, Yujie Yuan, Hongsheng Liu
Abstract: Dense self-attention is the compute and quality bottleneck of long-video diffusion inference: cost grows quadratically with the sequence length, and beyond the training horizon the model converges to near-static output, that is, "frozen" repetitive video. State of the art approaches are either too costly, e.g., they require retraining, or fail to satisfy both performance and quality objectives in a scalable manner. To this end, we introduce Long Video Sparse Attention (LVSA), a training-free model-agnostic block-sparse attention for video diffusion transformers that combines a structured window pattern with rotating global anchors, thus removing the fixed-grid bias which causes long-range temporal artifacts. LVSA, combined with a FlashInfer kernel, reduces compute up to 3.17x on Wan 2.1 1.3B at a 6x horizon, 2.98x on Wan 2.1 14B at a 6x horizon, and 3.33x on HunyuanVideo 1.5 at a 1.5x horizon, compared to dense attention. Beyond reducing compute, LVSA enables HunyuanVideo 1.5 generation at a 2x horizon, which is otherwise out-of-memory on a single GPU. Moreover, LVSA provides speedups up to 2.41x compared to RIFLEx and 3.27x compared to UltraViCo on Wan 2.1 1.3B. To demonstrate applicability across diverse platforms, we apply LVSA on NPUs and achieve speedups up to 2.71x on Wan 2.2 A14B and 3.24x on Wan 2.1 1.3B compared to dense attention. To evaluate quality in a fair way, we introduce VQeval, a tool properly scoring loopy video failures, which instead are rewarded in state of the art evaluators like VBench-Long. LVSA is quality-neutral for generation at training horizon length and quality-positive at extended lengths.
Authors: Jiajun He, Zijing Ou, Francisco Vargas, Yingzhen Li, Jos\'e Miguel Hern\'andez-Lobato, Carles Domingo-Enrich, Yuanqi Du
Abstract: Free energy estimation is a fundamental yet challenging problem, from physics to statistics. Classical approaches rely on thermodynamic transformations, ranging from direct estimation, quasistatic integration, to finite-time averaging. Recent work [He and Du et al., 2025] learns neural transports to significantly accelerate the efficiency in the finite-time regime. In this paper, we generalize this framework to arbitrary state spaces. Building on this view, we develop a generalized neural transport learning approach for efficient estimation. Experiments validate the effectiveness and efficiency of the proposed method beyond continuous settings, extending to discrete and multimodal spaces as well as autoregressive settings. Beyond free energy estimation, we establish algebraic identities and reveal a group-theoretic structure linking infinitesimal time reversal and generalized Doob's $h$-transforms, showing that their compositions form a generalized dihedral group.
Authors: Jonathan Swinnen, Tinne Tuytelaars
Abstract: In this work we introduce a novel approach to domain incremental learning, adapting models over time to evolving, non-stationary data. In contrast to other works, we do not attempt to avoid catastrophic forgetting, but rather allow it and exploit it. Our model combines a main task head with a self-supervised masked autoencoder (MAE) head. We then learn domain-specific LoRA adapters during incremental training. Each adapter specializes to its domain, naturally inducing forgetting on other domains in both heads. At inference, we perform online test-time training on the self-supervised MAE head to identify which LoRAs best matches the current input, so the model can `remember' the domain again. Our scheme is especially well-suited to real-world streaming data, such as video, where consecutive samples are highly correlated and domain shifts are gradual. We demonstrate our method on domain-incremental action recognition and semantic segmentation tasks.
Authors: Navin Sriram Ravie, Andrew Jong, Krrish Jain, John Liu, Omar Alama, Bijo Sebastian, Sebastian Scherer
Abstract: In robotics, dangers and adversity modes are often embodiment-specific and relative to each agent. A frontier of autonomous mobile robotics is to enable agents to operate effectively in the wild in unseen unstructured environments. A significant challenge in unseen unstructured environments is that it may not be possible to predict all the dangers to the specific robot. Although recent work has used large foundation vision-language models (VLMs) to preemptively predict an exhaustive list of common-sense dangers, it remains difficult to capture possible interaction and embodiment-dependent adversities. We propose a continual learning framework for a mobile embodied agent to learn online from disturbances and attribute anomalous behaviours to causes through semantics, enabling better prediction and planning of the world in the future. Our framework, "Don't Fool Me Twice", first observes disturbances and describes their effects on the robot; this description is augmented with visual context to query a VLM to predict possible causes; the local disturbance is characterized using kernel regression, which allows for efficient, few-shot modeling of transient anomalies. We leverage semantic voxel-centric modeling to estimate epistemic uncertainty, enabling richer downstream recovery by treating interaction-driven disturbances as learnable spatial behaviors. We present four hypotheses and validate them in simulation and on hardware across embodiments and adversity modes.
Authors: Binglun Wang, Edmond S. L. Ho, He Wang
Abstract: We propose a new method for synthesizing physically-based swimming motions. Physically-based character animation aims to generate physically valid, controllable, and natural-looking motions which can respond to unexpected disturbances, where one dictating factor of difficulty is the complexity of the task, especially the level of sophistication of the required interactions with the environment. Existing research has succeeded in various tasks in static and dynamic environments. We push the difficulty further to swimming, which requires full-body coordination and continuous interactions with fluids, a new level of complexity when it comes to interacting with the environment. This complexity imposes challenges in learning control under volatile environmental forces, generalizing control to different environments and swimming styles, lack of data references, and prohibitively slow physical simulation which is inevitable during control learning. To this end, we propose SWIM, a new imitation method for swimming motions, which can learn from a single swimming motion and generalize to unseen environments, body conditions, and swimming styles. Extensive evaluation and comparison demonstrate that SWIM is data-efficient, stable, robust, and generalizable, outperforming alternative methods across multiple classes of tasks and metrics.
Authors: Sina Alemohammad, Li Chen, Richard G. Baraniuk, Zhangyang Wang
Abstract: Can a language model improve from plain text sampled from itself, with no prompts, no teacher, no verifier, and no reward model? Yes, but only when the synthetic corpus is compatible with the student, a relational property of the source-student pair rather than an intrinsic property of the data. We call this the latent capability resurfacing hypothesis: weak self-training can amplify capabilities already present in the pretrained model, but only under this compatibility condition. We study this in the minimal setting of prompt-free unconditional self-training, where base language models are fine-tuned on text generated from the BOS token alone, with no task specification or external supervision. We report three findings. First, synthetic utility is relational rather than intrinsic: self-generated data is the most effective source, same-lineage transfer outperforms stronger but differently trained sources, and cross-family transfer is substantially weaker. Second, common intrinsic proxies fail: neither benchmark-level semantic similarity nor average per-token likelihood under the student predicts which corpora help. Third, this regime produces a surprising byproduct. In controlled Pythia experiments, capability and verbatim memorization decouple: benchmark utility is preserved or improved while held-out exact-match extraction drops by over 95 percent, with no forget set, privacy objective, or targeted unlearning. Together, these results suggest that prompt-free self-training works by amplifying what the student already knows, not by importing structure from the data. They also reveal a regime in which capability and verbatim memorization can be separated without any explicit unlearning objective.
Authors: Mohammed Asad Karim, Vinay Kumar Verma
Abstract: In-context localization (ICL) seeks to localize a target object specified by a small set of support examples in a query image, operating on the fly without training or parameter updates. Despite rapid advances in vision-language models (VLMs), achieving category-agnostic and visually grounded ICL remains an open problem, even though it is essential for applications such as image editing, personalized visual search, and retrieval. Existing methods are fragile and rely on explicit category supervision, which not only limits applicability in realistic settings with unnamed or instance-specific objects but also introduces category bias that steers predictions toward semantic priors rather than visual evidence. We introduce a two-stage training framework that explicitly optimizes in-context attention between support bounding boxes and query images without category supervision. We further refine localization via reinforcement learning using Group Relative Policy Optimization (GRPO) to directly minimize localization error. This formulation enforces visual correspondence over semantic priors, yielding robust instance-level localization. Empirically, a 7B-parameter model trained with our objectives outperforms models up to 72B parameters, demonstrating that context-aware localization objectives can surpass scaling alone. Comprehensive ablations validate the contribution of each component.
Authors: Yunfei Yang, Jun Fan
Abstract: This paper studies how efficiently deep ReLU neural networks can approximate and learn smooth functions. When the error is measured in $L^p([0,1]^d)$ norm and the approximator is a network with width $W$ and depth $L$, recent works have proven the supper approximation rate $\mathcal{O}((WL)^{-2s/d})$ for Besov space $\mathcal{B}^s_{q,r}([0,1]^d)$ under the Sobolev embedding condition $s/d>1/q-1/p$. In order to overcome the curse of dimensionality in this rate, we extent this result to anisotropic and mixed smooth function classes. We establish the approximation rate $\mathcal{O}((WL)^{-2\tilde{s}})$ for anisotropic Besov space $\mathcal{B}^{\boldsymbol{s}}_{q,r}([0,1]^d)$ with anisotropic smoothness $\boldsymbol{s}=(s_1,\dots,s_d)$ under the embedding condition $\tilde{s} > 1/q-1/p$, where the mean smoothness $\tilde{s} = (\sum_{i=1}^d s_i^{-1})^{-1}$. For mixed smooth Besov space $\mathcal{MB}^s_{q,r}([0,1]^d)$ with mixed smoothness $s>1/q-1/p$, we show that the approximation rate $\mathcal{O}((WL)^{-2s})$ holds up to logarithmic factors. Using these results, we also derive approximation bounds for the composition of anisotropic Besov functions. As an application, it is shown that deep ReLU neural networks can achieve minimax optimal rates up to logarithmic factors for a wide range of smooth function classes.
Authors: Jiacheng Lu, Haoyi Zhu, Sipei Yi, Enze Xie, Yu Li, Cheng Zhuo
Abstract: Interactive video world models generate video chunk by chunk in response to user-controlled camera movements, enabling applications such as real-time game simulation, virtual scene navigation, and embodied AI training. However, scaling to long interactive trajectories is prohibitively expensive due to growing context memory, quadratic attention complexity, and repeated denoising steps. We present Light Interaction, a training-free inference acceleration framework for interactive video world models. Our key insight is that interaction naturally enables trajectory-dependent adaptive computation: retrieved spatial memory can be discarded during novel exploration, temporal context can be adjusted according to local latent dynamics, and early-step model outputs can be reused when the camera revisits familiar regions. Based on this insight, Light Interaction combines adaptive context management, denoising cache acceleration, and hardware-software co-designed 3D block sparse attention with fused Triton kernels. Evaluated on HY-WorldPlay and Matrix-Game-3.0, Light Interaction achieves up to 2.59x speedup without model retraining while maintaining competitive visual quality.
Authors: Matthew Dowling, Hyungju Jeon, Cristina Savin, Il Memming Park
Abstract: We introduce the design-model framework: a way to derive efficient recurrent sequence maps from explicit assumptions about memory. A design model writes evidence into memory by exact Bayesian filtering; a query-dependent readout produces a predictive distribution whose mean is the layer output. In our linear-Gaussian instantiation, the \emph{Bayesian Layer} propagates both a mean and a covariance: the covariance tracks uncertainty over stored associations, steering writes toward uncertain directions, attenuating gains as evidence accumulates, and preserving confident memories. The same framework unifies several sub-quadratic recurrences. Linear attention, GLA, and Mamba-2/SSD are exact filters under one design model, whereas DeltaNet and related Delta-rule models arise as covariance-reset reductions under another. Restoring the covariance yields closed-form predictions for retrieval dynamics, verified empirically, and improves robustness beyond the training regime across controlled collision studies, learned associative recall, and the Zoology MQAR benchmark; distilling Bayesian Layers into a pretrained 340M Gated DeltaNet improves RULER long-context retrieval at matched compute.
Authors: Wenlun Zhang, Jun Yin, Kentaro Yoshioka
Abstract: Object detection in real-world scenarios remains challenging due to diverse image degradations and heterogeneous object distributions, which significantly hinder the generalization of existing detectors. Conventional approaches, including scene-specific representation learning and end-to-end pipeline design, are inherently limited by their reliance on predefined conditions and lack adaptability to dynamic environments. In this paper, we propose DetAS, an agentic detection framework that formulates object detection as a dynamic decision process. Instead of relying on static pipelines, DetAS leverages a Multimodal Large Language Model (MLLM) as a central agent to adaptively compose detection workflows by selecting from a toolbox of restoration modules and specialized detectors. Specifically, DetAS consists of two key components: Self-Adaptive Image Restoration, which dynamically determines whether and how to enhance images for downstream detection, and Multi-Expertise Detection, which integrates multiple domain-specialized detectors and resolves their predictions through instance-level reasoning. To further improve decision quality under fine-grained conditions, we introduce Self-Evolving Experience Harvesting and extend the framework to DetAS-X, which accumulates node-level decision experience from a small set of annotated data and enables experience-aware reasoning during inference. This mechanism allows the system to progressively refine its decision policy and adapt to diverse real-world scenarios. Extensive experiments on six challenging benchmarks demonstrate that DetAS-X significantly outperforms existing MLLM-based detectors, achieving an average improvement of 28.36% in F1 score, with up to 37.01% gain on DarkFace. These results demonstrate the promise of agentic detection and establish a solid foundation for its application in complex and dynamic environments.
Authors: Mikkel Godsk J{\o}rgensen, Lars Kai Hansen
Abstract: Sparse Autoencoders (SAEs) have been seen as a promising avenue for exploring the internals of Large Language Models (LLMs) and for steering model output generation. When AxBench - a model steering benchmark - was introduced in Wu et al. (2025), SAEs did not seem to live up to their original hype due to poor steering performance relative to a set of simple baselines. This work serves as a partial rebuttal for Sparse Autoencoders and suggests that the results of Wu et al. (2025) did not do them full justice. We find that Sparse Autoencoders can, in fact, perform close to on par with the reference LoRA performance on the AxBench benchmark, when features are selected and labelled with our supervised pipeline. We also find that our pipeline selects features that are surprisingly causal of their identified labels when using only its interpretability-based components. Lastly, we present evidence that high sparsity (low l0) may not be crucial for successful steering based on interpretability, which is in contrast to the earlier findings in Wang et al. (2025).
Authors: Firas Gabetni, Alexandre Rocchi Henry, Nacim Belkhir, Ziyi Liu, Gianni Franchi
Abstract: Detecting covariate shift is critical for building reliable vision systems. While most prior work focuses on improving robustness to shift, explicitly detecting covariate shift remains underexplored. Existing approaches typically rely on fully supervised training, requiring labeled examples from both original and shifted distributions, which is often impractical. In this paper, we show that covariate shift detection can be effectively addressed with weaker supervision using Positive Unlabeled (PU) learning. However, under covariate shift, in distribution and shifted data overlap significantly, making classical PU methods unstable and sensitive to noise. To overcome this challenge, we introduce Spectral PU Neighborhood Annotation (SPUNA), a geometry aware framework that progressively discovers shifted data by leveraging the local manifold structure of visual features. Extensive experiments show that SPUNA achieves state of the art performance in PU settings and remarkably matches the performances of fully supervised methods. Moreover, our approach transfers robustly across different types of shifts, demonstrating strong generalization capabilities.
Authors: Ei Hmue Khine, Yao Li, Jiebao Sun, Shengzhu Shi, Zhichang Guo, Boying Wu
Abstract: While decision-based black-box adversarial attacks present a severe security threat, current methodologies suffer from fundamental limitations. Pixel-wise attacks frequently introduce unnatural, high-frequency visual artifacts, while latent-space frameworks are confined by the limited search space of low-dimensional manifolds and inherent reconstruction flaws. To resolve these limitations, we propose Latent Geometric Chords (LGC) for Query-Efficient Decision-Based Adversarial Attacks alongside a variant, LGC-H. At its core, LGC navigates decision boundaries by executing a curvature-aware geometric search within a compressed semantic manifold. To guarantee high visual fidelity and circumvent dimensionality bottlenecks, we introduce a Residual-based Adversarial Generation (RAG) mechanism. RAG isolates semantic perturbations as geometric chords and superimposes them directly onto the original source image. RAG substantially resolves baseline reconstruction flaws and effectively doubles the permissible search space dimensions. Experimental results demonstrate that LGC achieves robust cross-dataset transferability and substantially outperforms state-of-the-art baselines. Notably, our method, LGC, minimizes perturbation magnitudes while achieving state-of-the-art visual fidelity--with a Structural Similarity Index Measure (SSIM) exceeding 0.99 and a Learned Perceptual Image Patch Similarity (LPIPS) below 0.01 at 5000 queries--and sustaining high attack success rates under stringent perceptual constraints, successfully compromising adversarially trained robust models. The source code is available at: https://github.com/eihmuekhine/Latent-Geometric-Chords.
URLs: https://github.com/eihmuekhine/Latent-Geometric-Chords.
Authors: Athina Kyriakou, Dennis Ulmer, Ivan Titov
Abstract: Confidence estimation (CE), i.e. quantifying the reliability of a model's prediction, has attracted great interest in the context of large language models (LLMs). However, most studies focus on English, ignoring the multilingual reality of LLM usage, while many CE methods degrade or require retraining across languages. To address this gap, we investigate whether multilingual LLMs encode shared, language-transferable confidence features. We use a lightweight linear probe that predicts answer correctness directly from intermediate representations. Trained monolingually, the probe generalizes zero-shot to unseen, typologically diverse languages without target-language supervision. Learned layer weights and multiple ablations reveal that confidence features concentrate in middle layers across languages, suggesting a shared confidence subspace. While zero-shot cross-lingual performance depends on similarity to the source language, the probe provides a strong baseline without any retraining and compares favorably to other popular confidence estimation methods.
Authors: Enrico Ballini, Allan Peter Engsig-Karup, Tito Andriollo
Abstract: We present a neural-network-based framework for the solution of three-dimensional boundary value problems where the solution is expressible in terms of harmonic potentials. The approach leverages the Whittaker integral formula, which allows representing the solution through functions that are holomorphic with respect to a suitable complex variable. These functions are subsequently approximated using holomorphic neural networks, which guaranty fulfillment of the holomorphicity requirement. A key feature of the proposed formulation is that the governing partial differential equations (PDEs) are satisfied exactly by construction. Therefore, in contrast to standard physics-informed neural networks, no residual minimization of PDEs is required in the interior of the domain, and training is based exclusively on boundary collocation points. The method is validated against three-dimensional Laplace and linear elasticity problems, where, in the latter case, displacement and stress fields are expressed via the Papkovich-Neuber potentials. The numerical results show an accurate approximation of both scalar and vector fields, with errors remaining controlled throughout the domain. Overall, the work demonstrates that the incorporation of analytical structures into neural network architectures provides a natural and effective framework for the meshless approximation of three-dimensional boundary value problems while preserving the underlying properties of the governing equations.
Authors: Pengyu Chen, Yonggang Zhang, Mingming Chen, Jun Song, Wei Xue, Yike Guo
Abstract: Endowing large language models with compositional reasoning over specialized documents requires multi-hop training data at scale, where such data rarely exists outside of curated benchmarks built on structured sources. To construct it directly from plain, unannotated text, existing methods ask a single teacher model to jointly discover an evidence path through a document and verbalize it as a question-answer pair. However, these methods degrade sharply when documents are structured around repetitive templates and densely cross-referencing clauses, conditions that characterize most real-world specialized corpora. In this work, we decouple the two operations: reasoning paths are enumerated offline over a graph of contextual keyword centroids, and the teacher is invoked only to verbalize pre-validated paths. The graph enforces five geometric admissibility constraints, for which we provide Gram-matrix arguments establishing that local similarity bounds alone admit endpoint drift up to ${\sim}91^{\circ}$, and that an upper similarity bound is necessary to exit dense embedding cliques formed by boilerplate text. A matched-size ablation isolates the mechanism: at equal training scale, constrained and unconstrained chains yield indistinguishable downstream performance, and the gain at full scale comes from a 4.4$\times$ expansion of the usable corpus rather than from higher per-chain quality -- reframing the role of graph constraints, in this setting, as raising teacher synthesizability rather than improving chain content. Fine-tuning Qwen3-32B on 80K examples constructed from the CUAD legal contract corpus improves closed-book Token F1 from 21.66% to 38.58%. We have released our codes at https://github.com/hkgai-official/GCSCS.
Authors: Salim I. Amoukou, Saumitra Mishra, Manuela Veloso
Abstract: Bagging-based ensembles, most notably Adaptive Random Forests, are among the strongest performers for learning from data streams. A common denominator across these methods is their reliance on Hoeffding Trees as base learners, which grow decision trees incrementally by testing whether a candidate split is significantly better than its alternatives using concentration inequalities. Despite their empirical success, existing variants lack valid statistical guarantees. Current analyses rely on fixed-sample concentration bounds, while split decisions are made using data-dependent stopping rules, which invalidates their guarantees and can drive the probabilty of incorrect splits to one. We introduce a principled alternative based on anytime-valid inference. Our method provides: (i) anytime-valid control of false splits under arbitrary data streams, including non-stationary settings; (ii) finite commitment time under a predictive advantage; and (iii) under stationary i.i.d. data, risk is monotone decreasing and strictly improves at every split. Empirically, we evaluate both standalone trees and their use within Adaptive Random Forests on non-stationary streams. Our method improves performance while producing substantially smaller trees.
Authors: Salim I. Amoukou, Emanuele Albini, Tom Bewley, Saumitra Mishra, Manuela Veloso
Abstract: We propose a unified framework for addressing three key challenges of distribution shift: (1) estimating a model's performance on an unlabeled target domain, (2) explaining the shift by identifying the features responsible, and (3) improving the target domain performance. Our method, Entropic Projection Alignment (EPA), aligns the source distribution to the target by matching carefully selected moments while simultaneously minimising the KL divergence from the source. This formulation yields a unique closed-form solution for importance weights, achieving robustness through implicit variance control. Drawing on domain adaptation theory, we establish that moment matching is sufficient for reliable estimation and adaptation, avoiding the need for full density ratio recovery. Extensive experiments, together with strong theoretical guarantees, demonstrate that EPA consistently outperforms state-of-the-art baselines while offering substantial computational efficiency.
Authors: Tianyi Zhou, Dongrui Liu, Leitao Yuan, Jing Shao, Xia Hu
Abstract: LLM agents are increasingly expected not only to complete isolated tasks, but also to carry bounded representations of human expertise, judgment, and interaction style. Building such person-grounded agents remains difficult because actionable knowledge associated with a person or role is usually embedded in heterogeneous traces rather than written as clean instructions. Existing memory and persona systems capture fragments of this evidence, while skill frameworks provide portable packaging formats; however, there is no end-to-end workflow for distilling these traces into inspectable, correctable, and agent-usable skills. We present an automated trace-to-skill distillation system for generating person-grounded AI skills via expert knowledge distillation. Given materials from a target person or role, COLLEAGUE.SKILL produces a versioned skill package with two coordinated tracks: a capability track for practices, mental models, and decision heuristics, and a bounded behavior track for communication style, interaction rules, and correction history. The package can be inspected, invoked, updated through natural-language feedback, rolled back, installed across agent hosts, and optionally prepared for controlled distribution. We describe the artifact contract, generation workflow, correction lifecycle, deployment surface, and domain presets implemented in the open-source system. At the time of writing, the public repository has approximately 18.5k GitHub stars; the gallery lists 215 skills from 165 contributors and more than 100k cumulative stars across listed skill cards. The system illustrates how person-grounded skills can be represented as portable, correctable packages rather than opaque prompts or hidden memories.
Authors: Nan Bao, Yifan Zhao, Wenzhuang Wang, Jia Li
Abstract: The layout-to-image (L2I) task enables fine-grained control over image generation via object categories and spatial layouts. However, existing L2I methods yield fragmented and distorted generations under few-shot atypical settings. We term this failure as representation fragmentation, arising from a granularity mismatch that entangles semantic identity with visual details. To address this issue, we propose a representation-driven framework that disentangles semantics from primitives for robust few-shot adaptation. Specifically, Semantic Anchoring aggregates categorical semantics into anchors for stable identity, while Primitive Imbuing models recomposable primitives for robust local detail modeling. Conceptual Steering further regulates optimization with a saliency-aware objective to preserve foreground semantic consistency. Extensive experiments demonstrate consistent improvements in the 5-shot regime over state-of-the-art L2I methods in both visual fidelity and alignment across diverse atypical domains. The source code is publicly available at https://github.com/iCVTEAM/DSP.
Authors: Ransika Gunasekara, Rahat Masood, Salil Kanhere
Abstract: Traditional traffic analysis is being fundamentally challenged by the rapid adoption of encryption, tunnelling, and privacy-preserving protocols, which increasingly obscure packet payloads and limit the usefulness of Deep Packet Inspection (DPI). Although machine learning has advanced encrypted traffic analysis, existing approaches often remain tied to protocol-specific header features, depend on large labelled datasets, and degrade when deployed across heterogeneous network environments. We present GETA, a protocol-agnostic framework for encrypted traffic analysis that models network flows as multivariate time series using only traffic metadata, thereby avoiding reliance on packet payloads or header semantics. GETA combines meta-learning, embedding refinement, and self-attention to support few-shot adaptation to previously unseen domains with minimal labelled data. Across nine public datasets spanning application identification, VPN traffic classification, IoT device fingerprinting, and attack detection, GETA consistently outperforms state-of-the-art baselines. These results show that GETA offers a practical and generalisable foundation for robust traffic analysis in modern encrypted networks.
Authors: Gr\'egoire Martinon, Ibrahim Merad, Mohammed Raki
Abstract: Reliable evaluation of agentic systems requires unbiased estimates with valid uncertainty, but standard practice navigates between costly human annotation and biased LLM-as-judge proxies. Prediction-powered inference (PPI) combines both into debiased estimates with valid confidence intervals, yet its various methods remain scattered across papers under partial implementations. We introduce GLIDE, an open-source Python library that unifies state-of-the-art PPI estimators (PPI++, Stratified PPI, Predict-Then-Debias and its stratified variants, Active Statistical Inference) and samplers (uniform, stratified, active, cost-optimal) under a scipy-style API specialized to mean estimation. GLIDE ships with a reproducible Monte Carlo validation suite, an empirically grounded decision tree for method selection, and an agentic evaluation case study showing substantial annotation savings at equivalent precision. The GLIDE package is available at this URL: https://github.com/EmertonData/glide
Authors: Th\'eo Ma\"etz, Luc Guillet, Andrea Cavallaro
Abstract: Recommender systems may operate under multiple, competing objectives. For example, audience reach, cultural values, public service mandate, and operational constraints must be balanced in editorial decisions of public service media. Existing approaches relying on fixed combinations of objectives or Pareto-based optimisation do not adapt to changing priorities across situations. In this paper, we propose Contextual Scalarisation Thompson Sampler (CSTS), a multi-objective contextual bandit method that learns to weight objectives as a function of the observed context. We evaluate CSTS on real programming data from Radio T\'el\'evision Suisse, the Swiss national broadcaster, showing improved contextual relevance and better alignment with expert curation practices compared to fixed weight and standard contextual bandit approaches.
Authors: Ioannis Prokopiou, Pantelis Vikatos, Maximos Kaliakatsos-Papakostas, Theodoros Giannakopoulos, Themos Stafylakis
Abstract: Transformer-based architectures have significantly advanced the generation of complex symbolic sequences, yet a significant gap remains in achieving fine-grained, interpretable control over discrete signal attributes. This paper investigates the mechanistic interpretability of the Multitrack Music Transformer (MMT) and proposes a framework for deterministic attribute modulation without retraining to bridge this gap via inference-time activation steering. Utilizing the Difference-in-Means (DiffMean) methodology, we isolate latent directions for signal attributes, specifically Pitch and Duration, within the residual stream. We validate the Linear Representation Hypothesis in this domain, achieving high correlation between steering magnitude and attribute shift. To address the inherent feature entanglement in multi-attribute steering, we introduce a Dual Steering framework utilizing Gram-Schmidt Orthogonalization. Experimental results demonstrate that this geometric decoupling reduces conceptual interference and signal degradation compared to naive vector addition, enabling independent deterministic control even against strong autoregressive conditioning.
Authors: Sawan Patel, Sophia Tang, Yesol Kim, Yinuo Zhang, Divya Srijay, Ping-Jung Lin, Shambhavi Shubham, Fengmei Pi, Cedric Wu, Sherwood Yao, Pranam Chatterjee
Abstract: Therapeutic mRNA design requires coordinating multiple interacting sequence features across the full transcript, where codon usage, untranslated regions (UTRs), and their coupling jointly determine stability, translation efficiency, and protein expression. Here, we present mRNA generation via unrolled trajectories and informed latent updates (mRNAutilus), a framework for simultaneous codon optimization and de novo UTR design directly from sequence. mRNAutilus combines a masked discrete diffusion model trained on millions of full-length mRNAs with Monte Carlo Tree Guidance to generate Pareto-efficient sequences under multiple functional objectives, using lightweight regressors over model embeddings to predict half-life, translation efficiency, and protein abundance. Unlike recent methods that design coding sequences and UTRs separately or rely on post hoc assembly and screening, mRNAutilus generates complete transcripts in a single process optimized across properties. Across diverse targets, zero-shot mRNAs encoding P. pyralis luciferase achieve over 400-fold higher expression than wild-type and outperform commercial and machine learning-designed baselines, including zero-shot generative approaches. Zero-shot SARS-CoV-2 Spike mRNAs exceed clinically used and commercial constructs and match or surpass lab-optimized designs with improved durability. We further demonstrate generality in therapeutic settings, including prime editing (PEMax) and programmable proteome modulation, where mRNAutilus-designed constructs enhance expression of peptide-guided E3 ligases (uAbs) for beta-catenin degradation. These results establish a sequence-based, multi-objective framework for generating functional mRNAs tailored to diverse biological applications.
Authors: Chao Yin, Youran Dong, Shiqian Ma, Bofan Wang, Junfeng Yang
Abstract: Networked AI systems increasingly rely on multiple agents that collaboratively learn and adapt models over communication networks. In such systems, bilevel formulations naturally arise in hyperparameter optimization, data cleaning, and meta-learning, but the repeated evaluation of gradients, Jacobians, and Hessians can impose a substantial computational burden on individual agents. To address this challenge, we propose Snapshot-SLDBO (S$^3$LDBO), an efficient single-loop decentralized bilevel optimization algorithm that enables agents to intermittently skip expensive derivative evaluations through a snapshot mechanism. This mechanism can be interpreted as an autonomous computation-adaptation strategy for networked AI, where agents selectively perform costly local updates while maintaining global collaborative learning. We establish the ergodic iteration complexity and the high probability nonergodic iteration complexity of the proposed algorithm within a deterministic setting. Experimental results on hyperparameter optimization with synthetic and MNIST datasets, data hyper-cleaning on Fashion-MNIST, and decentralized meta-learning on miniImageNet demonstrate that the proposed algorithm improves computational efficiency while maintaining competitive learning performance.
Authors: Matthias Templ
Abstract: Compositional data must be analysed through log-ratios: scale invariance, the defining axiom of the field, leaves no alternative. The centred log-ratio divides by the geometric mean of every part, so a single contaminated component shifts every centred-log-ratio coordinate at once, displacing the log-ratio vector by a fixed amount that no choice of coordinates can reduce. We develop a theory of cellwise contamination on the simplex around this observation. A scale-invariant contamination model built from multiplicative perturbation combines with a propagation theorem showing that corruption of a single raw part induces a rank-one shift of the log-ratio vector, with direction determined by the contrast matrix. The resulting perturbation pattern is not equivalent to any independent cellwise contamination model in log-ratio coordinates -- so standard Euclidean cellwise methods applied to log-ratios are ill-posed under the simplex contamination mechanism. For estimators whose Euclidean cellwise breakdown is witnessed by a column-concentrated configuration -- a class including MCD, $S$-, $\tau$-, and coordinate-wise $M$-estimators of location and scatter -- the cellwise breakdown value on the simplex is reduced by the factor $(D-1)/D$ relative to its Euclidean counterpart, a reduction that is tight and arises purely from the normalisation mismatch between $nD$ raw cells and $n(D-1)$ ilr cells. The cellwise influence function for the variation matrix carries a diagnostic fingerprint: contamination of a single part inflates exactly one row and column, identifying the responsible component. These results form the theoretical foundation for cellwise-robust methods on the simplex; a companion paper develops a cellwise-robust PCA estimator that exploits the propagation geometry and demonstrates it on simulated and geochemical data.
Authors: Alexandra Suvorikova, Igor Pavlov, Artem Vasin, Georgii Bychkov, Anastasia Antsiferova, Darina Dvinskikh, Alexander Gasnikov
Abstract: Zeroth-order (black-box) optimization is applied when gradients are unavailable and objective evaluations rely on expensive simulations. In many such applications, the oracle fidelity is tunable: higher-accuracy queries reduce noise but incur higher computational costs. To capture this trade-off, we study an accuracy-aware wall-clock model where each query with fidelity $\delta$ has a cost $c(\delta)$, and we minimize the total time $T_{\mathrm{total}} = \sum_{k=1}^{N} c(\delta_k)$, subject to a target accuracy constraint. We show how the choice of oracle type, noise model, and optimization scheme induces explicit wall-clock-optimal choices for the algorithmic parameters. For instance, we demonstrate that accelerated methods can be wall-clock inferior to non-accelerated schemes. Furthermore, we characterize the conditions under which a constant fidelity strategy is optimal in the Big-O sense. Our framework provides a unified methodology to translate convergence guarantees into practical fidelity and batching recommendations.
Authors: Yunpeng Zhou
Abstract: Modular visual reasoning systems increasingly rely on shared working memory for multi-step collaboration, yet the failure dynamics of intermediate state evolution in low-capacity regimes remain underexplored. We study failure modes of collaborative reasoning with weak learners (4B--8B models) through the lens of noise accumulation. We introduce CoSee, an auditing framework that formalizes the read-write-verify loop to trace information flow in document visual question answering. Across multi-page, chart, and web-based benchmarks, we find a counter-intuitive degradation: naive shared workspaces often amplify hallucinations rather than resolve them. We identify two dominant failure modes: Noise Reinforcement, where ungrounded notes are reused as evidence, and Policy Collapse, where added context shifts the model toward under-specified, short-form answers. Using cost-accuracy Pareto frontiers, we show that increased compute can correlate negatively with performance without explicit verification. Our findings suggest that for resource-constrained agents, the bottleneck lies not in reasoning depth but in communication fidelity, providing trace-level diagnostics and a mechanistic baseline for reliable modular design.
Authors: Tomas Leroy-Stone
Abstract: In cooperative multi-agent reinforcement learning (MARL), agents must coordinate with partners whose internal policies and intentions are not directly observable. While world models such as Dreamer have demonstrated strong generalization and sample efficiency in single-agent settings, their application to MARL remains limited by an inability to handle teammate-induced uncertainty. We propose a new perspective: treat teammates as structured, learnable components within the agent's world model. We introduce an architecture that factorizes the latent state of a Dreamer-style recurrent state-space model (RSSM) into environment and teammate components, and learns an auxiliary Theory-of-Mind (ToM) head to infer latent embeddings of partner behavior such as character, intent, and predicted actions from partial trajectories. These teammate latents condition the actor and critic, enabling the agent to imagine and adapt to diverse collaborators. We outline how this approach can support zero-shot and few-shot coordination in partially observable settings and propose a set of benchmarks and evaluation protocols to assess its impact. This work positions world models as not only predictors of environmental dynamics, but as simulators of social behavior, opening new directions for generalizable, human-compatible AI.
Authors: Katharina Lachner, Sa\'ul Alonso-Monsalve, Benjamin Richards, Davide Sgalaberna
Abstract: Modern machine learning techniques have become increasingly important in particle physics because of their powerful pattern-recognition capabilities, including in real-time data acquisition where stringent runtime constraints apply. This paper details the performance of deep-learning-based trigger algorithms for a large water Cherenkov detector such as Hyper-Kamiokande aimed at low-energy neutrino events (below 7 MeV). The performance of custom neural-network supervised classifiers is shown alongside two anomaly-detection approaches trained solely on detector noise: a pure autoencoder and an energy-based model based on Manifold Projection--Diffusion Recovery (MPDR). The supervised model shows signal identification efficiencies of 76.7% for single electrons of 3 MeV kinetic energy, significantly exceeding signal efficiencies obtained from a traditional hit-count-based trigger of 26.4%, as does the MPDR approach with 31.8%. Runtime evaluations on GPU yield per-window inference latencies well below the millisecond scale, indicating that real-time operation is feasible.
Authors: Xiaonan Xu, Wenjing Wu
Abstract: Skill documents provide procedural knowledge to large-language-model agents at inference time. This article studies whether the presentation granularity of controlled skill knowledge changes downstream task success. The experiment uses a pinned SkillsBench version, a 30-task domain-balanced subset validated by official oracle runs, two reasoning-enabled model configurations, six skill conditions, and five trials per task-condition-model cell. Skill availability is the clearest empirical signal. Relative to no skill, skill conditions increase task-mean pass rate by 26.7 to 36.0 percentage points for GPT-5.5 and by 18.0 to 26.0 percentage points for DeepSeek V4-Flash. The final data contain 1,800 rows, with 900 rows for each model. The task is the inference unit. Five trials are aggregated within each task-condition-model cell before paired contrasts are estimated over 30 tasks. The primary presentation contrasts are smaller and uncertain. Low-abstraction guidance differs from high-abstraction guidance by +0.7 percentage points for GPT-5.5 and -6.7 percentage points for DeepSeek V4-Flash, with both 95% bootstrap confidence intervals crossing zero. Adding one worked example to medium-abstraction guidance differs from the no-example variant by +0.7 and +1.3 percentage points. Mean-reward robustness checks preserve the same substantive conclusion. In this controlled subset, skill availability is associated with higher success than no skill, while the tested presentation-granularity changes yield small, uncertain, and model-dependent effects.
Authors: Arnak S. Dalalyan, Avetik Karagulyan
Abstract: We establish improved nonasymptotic bounds for Langevin Monte Carlo in the strongly log-concave setting, when the error is measured by the Wasserstein distance. The main result shows that the discretization error is governed by an average coordinate-wise smoothness constant, rather than by the usual global smoothness constant. The proof is short and probabilistic, and relies on a refined use of the synchronous coupling. We further show that the same ideas lead to improved bounds for variable step sizes, for potentials whose Laplacian is Lipschitz-continuous, and for finite-sum problems sampled by stochastic-gradient Langevin dynamics with fixed point control variates. In the Laplacian-smooth case, the usual Hessian-Lipschitz contribution is replaced by a weaker trace-type third-order smoothness quantity. In the finite-sum setting, the resulting SGLD bound improves the dependence on the root mean square smoothness of the component functions. Applications to generalized linear models with Gaussian design show that these refinements can yield substantial, dimension-dependent improvements over previously known bounds, especially for correlated covariates.
Authors: Naoki Chihara, Tatsushi Oka, Yasuko Matsubara, Yasushi Sakurai, Shota Yasui
Abstract: We present a regression-adjustment framework designed for the estimation of longitudinal treatment effects in randomized experiments under static regimes. While regression-adjustment methods are useful for variance reduction in randomized experiments by using pre-treatment covariates, they usually focus only on average effects, from which we cannot obtain valuable insights into when the effects appear and how long they continue. To address this issue, we consider intermediate outcomes and evolving post-treatment covariates over time, and we represent such dynamic trajectories using transition kernels. Furthermore, we establish the asymptotic normality and the semiparametric efficiency bound for our estimator, enabling more powerful statistical inference. Simulation studies and empirical analysis using A/B test data from a streaming platform in Japan show the practical advantages of our method.
Authors: Antonio Valerio Miceli-Barone, Vaishak Belle, Shay B. Cohen
Abstract: In this work we study agents in simulated bargaining scenarios, where a buyer and a seller communicate through a text channel and attempt to negotiate mutually beneficial trades, under different information regimes (complete information, information asymmetry or mutual uncertainty). We evaluate their performance w.r.t. game-theoretical solutions and further investigate their honesty (their tendency to disclose or withhold information or to mislead and deceive) as well as their credulity (their tendency to trust or distrust information provided by the other agent). We study zero-shot LLM agents with simple prompting scaffolding as well as fine-tuned agents, in order to investigate whether optimising the agents to maximise financial profits makes them stronger negotiators but also more dishonest and less trusting. We find that off-the-shelf LLMs all substantially deviate from game-theoretical equilibria, they attempt to lie about their private information but cannot efficiently exploit information asymmetries. Fine-tuning on financial utility makes the agents stronger at achieving better deals but also more dishonest, highlighting the risks that optimising agents for a task can have on their safety. We release our code and a dataset of bargaining scenarios.
Authors: Zheyu Zhang, Shuo Yang, Gjergji Kasneci
Abstract: Post-training of language models is commonly framed as a sample-score-update loop implemented by gradient descent. A recent line of work, exemplified by RandOpt, relocates this loop to weight space, sampling Gaussian perturbations around a pretrained model and ensembling the top-K rewarded specialists at inference. While competitive with PPO and GRPO under matched training compute, this prediction-level ensemble incurs K forward passes per test example and does not extend cleanly to free-form generation. We ask whether the rewarded population can instead be folded into a single deployable model, replacing the inference-time ensemble with one consolidated update. A split-half analysis over 25 model-task pairs reveals reproducible low-rank structure in every case. We turn this geometry into CoRP (Consolidating Rewarded Perturbations), a gradient-free operator that combines reward-weighted aggregation, compatibility-aware reweighting, and a held-out validation gate, with no gradient flowing through the language model. Across five language models from 0.5B to 8B and five tasks covering math, code, and creative writing, CoRP improves the base model by 8.1 points on average. Using one tenth of RandOpt's perturbation budget, CoRP exceeds single-inference RandOpt by 6.5 points and recovers more than half of the gain of the 50-pass majority-vote ensemble, at one forward pass per test example.
Authors: Arnas Uselis, Darina Koishigarina, Seong Joon Oh
Abstract: Humans easily determine which color belongs to which shape in multi-object scenes, an ability known as concept binding. Vision-language embedding models such as CLIP struggle with binding: they recognize individual concepts but fail to represent which concepts form which objects. Although CLIP behaves like a bag-of-concepts model in cross-modal retrieval, object information is recoverable from its image and text embeddings separately. We study this tension through the binding function, which maps concepts to scene embeddings. We find that scene embeddings decompose additively into object representations, explaining why uni-modal probes can recover object information. However, CLIP's binding function is high-complexity, which likely prevents the image and text encoders from learning a shared binding mechanism that generalizes to unseen concept combinations. We then ask whether this limitation is fundamental. We show that it is not. In controlled transformer models trained from scratch, binding generalization emerges with sufficient data coverage. These models learn low-complexity binding functions characterized by multiplicative interactions between concepts, enabling systematic generalization. Code is publicly available at https://github.com/oshapio/binding-concepts-complexity.
URLs: https://github.com/oshapio/binding-concepts-complexity.
Authors: Federico Califano, Jacopo Ciambella
Abstract: Constitutive laws for inelastic materials must satisfy strict thermodynamic admissibility requirements, yet current data-driven approaches sacrifice interpretability, even when formal guarantees are provided by physics-encoded architectures. We propose a symbolic regression framework for the data-driven discovery of dissipation potentials governing the evolution of internal variables within the Generalized Standard Materials (GSM) formalism. Starting from the Clausius--Duhem inequality, we enforce the thermodynamic requirements, convexity and non-negativity, that the dual dissipation potential must satisfy to guarantee non-negative mechanical dissipation. These requirements are formulated in the general subdifferential setting, encompassing rate-dependent (viscoelastic) and viscoplastic dissipative mechanisms, including potentials with genuine elastic domains, within a unified framework. Candidate potentials are generated by a composition-extended convexity-preserving grammar that guarantees thermodynamic admissibility \emph{by construction}. The framework is validated on synthetic datasets spanning Newtonian, power-law, and Bingham viscoplastic ground truths under process and measurement noise, and on experimental oscillatory shear measurements of a synthetic elastomer across multiple strain amplitudes and frequencies, where the discovered potentials reproduce the amplitude-dependent softening of the dynamic moduli and outperform a calibrated linear Zener baseline.
Authors: Ulrich Prestel, Stefan Andreas Baumann, Nick Stracke, Bj\"orn Ommer
Abstract: Self-supervised novel view synthesis (NVS) remains challenging to scale, despite the abundance of video data, largely due to the brittleness of training on realistic videos and the hard-to-predict scaling behavior of multi-network system designs. We introduce RayDer, a unified, feed-forward transformer that consolidates camera estimation, scene reconstruction, and rendering into a single backbone, turning self-supervised NVS into a well-posed single-model scaling problem. A minimal dynamic state, treated as a nuisance factor, absorbs time-varying content and enables stable training on unconstrained real-world video. Importantly, RayDer keeps static-scene NVS as its target task: dynamic content is leveraged purely as scalable supervision, not reconstructed as in dynamic-scene (4D) NVS. Across multiple model sizes and orders of magnitude in data, RayDer exhibits clean power-law scaling with data and compute, and outperforms static-scene data mixtures. On a large number of benchmarks, RayDer achieves strong zero-shot open-set performance competitive with state-of-the-art supervised approaches. Project Page: https://compvis.github.io/rayder
Authors: Ashok Choudhary, Chris Varghese, Leo Y. Li-Han, Frank G. Lee, Ellen L. Larson, Elizabeth B. Habermann, Cornelius A. Thiels, Hojjat Salehinejad
Abstract: Postoperative pancreatic fistula (POPF) is a serious complication after pancreatic resection, increasing morbidity, hospital stay, and healthcare costs. We present an automatic, end-to-end deep learning pipeline-from pancreatic segmentation to classification-for preoperative POPF risk estimation and stratification using preoperative CT scans. A data set with auto-segmented pancreas volumes and surgical outcomes was used to evaluate multiple architectures, including a custom lightweight 3D CNN baseline (CNN3D), R(2+1)D ResNet-18, and ResNet-MC3-18 models. Evaluation across multiple 3D architectures demonstrated promising predictive performance. This approach offers a clinically valuable tool and a methodological benchmark for pancreas-specific CT classification, supporting improved preoperative decision-making in pancreatic surgery.
Authors: Nianyi Lin, Jiajie Zhang, Lei Hou, Juanzi Li
Abstract: Long-context reasoning remains a central challenge for large language models, which often fail to locate and integrate key information in extensive distracting content. Reinforcement learning with verifiable rewards (RLVR) has shown promise for this task, yet existing methods are limited by low-confusability distractors and sparse, outcome-only reward signals that cannot supervise intermediate reasoning steps. To address these issues, we introduce \textsc{LongTraceRL}. For data construction, we generate multi-hop questions via knowledge graph random walks and leverage search agent trajectories to build \emph{tiered distractors}: documents the agent read but did not cite (high confusability) and documents that appeared in search results but were never opened (low confusability), producing training contexts that are far more challenging than those built by random sampling or one-shot search. For reward design, we propose a \emph{rubric reward} that uses the gold entities along each reasoning chain as fine-grained, entity-level process supervision. This rubric reward is applied only to responses with correct final answers (positive-only strategy), distinguishing the reasoning quality among correct responses and preventing reward hacking. Experiments on three reasoning LLMs (4B--30B) across five long-context benchmarks demonstrate that \textsc{LongTraceRL} consistently outperforms strong baselines and encourages comprehensive, evidence-grounded reasoning. Codes, datasets and models are available at \href{https://github.com/THU-KEG/LongTraceRL}{https://github.com/THU-KEG/LongTraceRL}.
URLs: https://github.com/THU-KEG/LongTraceRL, https://github.com/THU-KEG/LongTraceRL
Authors: Alireza Kheirandish, Jihoon Hong, Sara Fridovich-Keil
Abstract: Diffusion models have shown promising performance as data-driven priors for computational imaging, as well as some capacity to detect out-of-distribution (OOD) images. However, existing approaches to OOD detection often require some knowledge of the shifted distribution, fail to detect subtle or localized distribution shifts, and operate on full images, rather than the indirect measurements available in inverse problems. We propose an OOD detection metric based on the Kullback-Leibler divergence between the diffusion prior and the posterior distribution, that (i) does not require any calibration data or knowledge of the shifted distribution, and (ii) can detect whole images as OOD as well as localize OOD patches within an image. Experimentally, we show that this metric can detect subtle yet semantically meaningful distribution shifts, such as the shift from healthy liver CT scans to those with tumors, and generalizes across different types of diffusion models, datasets, and inverse problems. Our code can be found at https://github.com/voilalab/KLIP.
Authors: Anna Vettoruzzo, Mohamed-Rafik Bouguelia, Joaquin Vanschoren, Thorsteinn R\"ognvaldsson, KC Santosh
Abstract: Meta-learning empowers learning systems with the ability to acquire knowledge from multiple tasks, enabling faster adaptation and generalization to new tasks. This review provides a comprehensive technical overview of meta-learning, emphasizing its importance in real-world applications where data may be scarce or expensive to obtain. The paper covers the state-of-the-art meta-learning approaches and explores the relationship between meta-learning and multi-task learning, transfer learning, domain adaptation and generalization, self-supervised learning, personalized federated learning, and continual learning. By highlighting the synergies between these topics and the field of meta-learning, the paper demonstrates how advancements in one area can benefit the field as a whole, while avoiding unnecessary duplication of efforts. Additionally, the paper delves into advanced meta-learning topics such as learning from complex multi-modal task distributions, unsupervised meta-learning, learning to efficiently adapt to data distribution shifts, and continual meta-learning. Lastly, the paper highlights open problems and challenges for future research in the field. By synthesizing the latest research developments, this paper provides a thorough understanding of meta-learning and its potential impact on various machine learning applications. We believe that this technical overview will contribute to the advancement of meta-learning and its practical implications in addressing real-world problems.
Authors: Shijie Wang, Jiani Huang, Zhikai Chen, Yu Song, Wenzhuo Tang, Haitao Mao, Wenqi Fan, Hui Liu, Xiaorui Liu, Dawei Yin, Qing Li
Abstract: Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a cornerstone in Graph Machine Learning (Graph ML), facilitating the representation and processing of graphs. Recently, LLMs have demonstrated unprecedented capabilities in language tasks and are widely adopted in a variety of applications such as computer vision and recommender systems. This remarkable success has also attracted interest in applying LLMs to the graph domain. Increasing efforts have been made to explore the potential of LLMs in advancing Graph ML's generalization, transferability, and few-shot learning ability. Meanwhile, graphs, especially knowledge graphs, are rich in reliable factual knowledge, which can be utilized to enhance the reasoning capabilities of LLMs and potentially alleviate their limitations such as hallucinations and the lack of explainability. Given the rapid progress of this research direction, a systematic review summarizing the latest advancements for Graph ML in the era of LLMs is necessary to provide an in-depth understanding to researchers and practitioners. Therefore, in this survey, we first review the recent developments in Graph ML. We then explore how LLMs can be utilized to enhance the quality of graph features, alleviate the reliance on labeled data, and address challenges such as graph Heterophily and out-of-distribution (OOD) generalization. Afterward, we delve into how graphs can enhance LLMs, highlighting their abilities to enhance LLM pre-training and inference. Furthermore, we investigate various applications and discuss the potential future directions in this promising field.
Authors: Alexander M\"arz, Kashif Rasul
Abstract: We introduce Hyper-Trees as a novel framework for modeling time series data using gradient boosted trees. Unlike conventional tree-based approaches that forecast time series directly, Hyper-Trees learn the parameters of a target time series model, such as ARIMA or Exponential Smoothing, as functions of features. These parameters are then used by the target model to generate the final forecasts. Our framework combines the effectiveness of decision trees on tabular data with classical forecasting models, thereby inducing a time series inductive bias into tree-based models. To resolve the scaling limitations of boosted trees when estimating a high-dimensional set of target model parameters, we combine decision trees and neural networks within a unified framework. In this hybrid approach, the trees generate informative representations from the input features, which a shallow network then uses as input to learn the parameters of a time series model. With our research, we explore the effectiveness of Hyper-Trees across a range of forecasting tasks and extend tree-based modeling beyond its conventional use in time series analysis.
Authors: Dorian Gailhard, Enzo Tartaglione, Lirida Naviner, Jhony H. Giraldo
Abstract: Hypergraphs are powerful mathematical structures that can model complex, high-order relationships in various domains, including social networks, bioinformatics, and recommender systems. However, generating realistic and diverse hypergraphs remains challenging due to their inherent complexity and lack of effective generative models. In this paper, we introduce a diffusion-based Hypergraph Generation (HYGENE) method that addresses these challenges through a progressive local expansion approach. HYGENE works on the bipartite representation of hypergraphs, starting with a single pair of connected nodes and iteratively expanding it to form the target hypergraph. At each step, nodes and hyperedges are added in a localized manner using a denoising diffusion process, which allows for the construction of the global structure before refining local details. Our experiments demonstrated the effectiveness of HYGENE, proving its ability to closely mimic a variety of properties in hypergraphs. To the best of our knowledge, this is the first attempt to employ deep learning models for hypergraph generation, and our work aims to lay the groundwork for future research in this area.
Authors: Yididiya Y. Nadew, Xuhui Fan, Christopher J. Quinn
Abstract: In neuroscience, numerous studies conduct sensory or behavioral experiments under multiple conditions to acquire neural responses in the form of high-dimensional spike train datasets. Analyzing high-dimensional spike data is a challenging statistical problem. To this end, Gaussian process factor analysis (GPFA), a popular class of latent variable models, has been proposed for data collected under a single experimental condition. GPFA extracts smooth, low-dimensional latent trajectories that summarize highdimensional spike datasets. However, standard GPFA infers these trajectories independently for each experimental condition, not accounting for how the underlying activity varies across the condition space. This poses limitations on both accuracy and the interpretability of the latent representation. To address these limitations, we propose Coupled Subspaces GPFA (CS-GPFA), a Bayesian model that jointly learns latent representations, characterizing how the neural activity varies over the condition space. Building on this, we further develop an active-learning algorithm for adaptively selecting conditions. Experiments on both synthetic and real neural datasets demonstrate that CS-GPFA achieves superior performance compared to existing approaches. Moreover, our active learning results show that CS-GPFA can efficiently guide experiment design in practical settings.
Authors: Yachao Yuan, Yu Huang, Jin Wang
Abstract: The widespread usage of the Internet of Things (IoT) has raised the risks of cyber threats; thus, developing Anomaly Detection Systems (ADSs) that can adapt to evolving traffic pattern is critical. Previous studies primarily focused on offline unsupervised learning methods to safeguard ADSs, which is not applicable in practical real-world applications. In this paper, we design Adaptive NAD, an online and self-Adaptive unsupervised Network Anomaly Detection framework for security domains. A two-layer anomaly detection strategy is proposed to generate reliable high-confidence pseudo-labels. Then, an online training scheme is introduced to update Adaptive NAD by a novel threshold calculation technique. Experimental results demonstrate that Adaptive NAD achieves the lowest false alarm rate (1.33%, 0.71%, and 0.08%) and has a more than 3 times faster online inference latency compared with state-of-the-art solutions on the CIC-Darknet2020, NSL-KDD, and Edge-IIoTset datasets, respectively. The code is released at https://github.com/MyLearnCodeSpace/Adaptive-NAD.
Authors: Etrit Haxholli, Yeti Z. Gurbuz, Ogul Can, Eli Waxman
Abstract: Discrete flow matching, a recent framework for modeling categorical data, has shown competitive performance with autoregressive models. However, unlike continuous flow matching, the rectification strategy cannot be applied due to the stochasticity of discrete paths, necessitating alternative methods to minimize state transitions. We propose a dynamic-optimal-transport-like minimization objective and derive its Kantorovich formulation for discrete flows with convex interpolants, where transport cost depends solely on inter-state dissimilarity and can be optimized via minibatch strategies. We show that such methods can reduce the number of transitions up to 32 times (1024 to 32) to reach the same generative perplexity without compromising diversity. Additionally, path nondeterminism in discrete flows precludes an instantaneous change-of-variables analogue, preventing precise probability estimation available to continuous flows. We therefore propose two upper bounds on perplexity, enabling principled training, evaluation and model comparison. Finally, we introduce Multimask Flows which outperform masked flows in generative perplexity without compromising diversity, particularly when utilizing minibatch Optimal Transport.
Authors: Ferhat Erata, Orr Paradise, Thanos Typaldos, Timos Antonopoulos, ThanhVu Nguyen, Shafi Goldwasser, Ruzica Piskac
Abstract: Randomized self-reductions (RSRs) express $f(x)$ using $f$ evaluated at random correlated points, enabling self-correcting programs, instance-hiding protocols, and applications in complexity theory and cryptography. Yet discovering RSRs has required manual expert derivation for over 40 years, limiting their practical use. We present Bitween for automated RSR learning. First, we formalize RSR learning with sample complexity analysis under correlated sampling. Second, we develop Vanilla Bitween, which integrates multiple backends (linear regression, genetic programming, symbolic regression, and mixed-integer programming). The linear regression backend outperforms the others, discovering RSRs for 43 of 80 functions (54%) in RSR-Bench, our benchmark suite, including the first known reduction for sigmoid. Third, we introduce Agentic Bitween, a neuro-symbolic approach where LLM agents propose novel query functions beyond the fixed set ($x+r$, $x-r$, $x \cdot r$, $x$, $r$) in prior work. Agentic Bitween discovers RSRs for 64 of 80 functions (80%), outperforming pure neural baselines in both RSR discovery and verification accuracy.
Authors: Minghao Fu, Biwei Huang, Zijian Li, Yujia Zheng, Ignavier Ng, Guangyi Chen, Yingyao Hu, Kun Zhang
Abstract: Understanding climate dynamics requires going beyond correlations in observational data to uncover the underlying causal process. Latent drivers such as atmospheric processes play a central role in temporal dynamics, while direct causal influences also exist among geographically proximate observed variables. Traditional Causal Representation Learning (CRL) typically focuses on latent factors but overlooks such observable-to-observable causal relations, which limits its applicability to climate analysis. In this paper, we introduce a unified framework that jointly uncovers (i) causal relations among observed variables and (ii) latent driving forces together with their interactions. We establish conditions under which both the hidden dynamic process and the causal structure among observed variables are simultaneously identifiable from time-series data, and our guarantees continue to hold in the nonparametric setting through contextual information that recovers latent variables and causal relations. Building on these insights, we propose CaDRe (Causal Discovery and Representation learning), a time-series generative model with structural constraints that integrates CRL and causal discovery. Experiments on synthetic datasets validate our theoretical results. On real-world climate datasets, CaDRe delivers competitive forecasting accuracy and recovers visualized causal graphs aligned with domain expertise, thereby offering interpretable insights into climate systems. Code is available at https://github.com/MinghaoFu/CaDRe.
Authors: Tingting Chen, Beibei Lin, Srinivas Anumasa, Vedant Shah, Zifeng Yuan, Qiran Zou, Anirudh Goyal, Dianbo Liu
Abstract: Interactive discovery requires agents to maintain and update structured beliefs over many rounds of feedback. Before evaluating agents in noisy, open-ended scientific environments, it is useful to isolate this prerequisite capability under controlled conditions. We introduce Auto-Discovery-Bench, a deterministic oracle-guided diagnostic benchmark in which agents recover hidden structures through repeated hypothesis--intervention--feedback cycles. The benchmark instantiates three controlled discovery abstractions: directed graph discovery, undirected relational discovery, and symbolic equation discovery. Across models, performance degrades as the number of variables, trajectory length, and distractors increase. A separate trajectory-tracking diagnostic shows that many failures persist even when intervention selection and hypothesis generation are removed, suggesting that limitations in maintaining and integrating long-range structured information are an important bottleneck for oracle-guided discovery. Auto-Discovery-Bench is not intended to replace realistic discovery environments; rather, it provides a reproducible, low-confound diagnostic testbed for isolating a prerequisite capability for interactive scientific agents.
Authors: Zhenlong Liu, Wenyu Jiang, Feng Zhou, Hongxin Wei
Abstract: Membership Inference Attacks (MIAs) aim to estimate whether a specific data point was used in the training of a given model. Existing state-of-the-art attacks typically rely on training multiple reference models to approximate the conditional score distribution for individual data points, which leads to significant computational overhead and limits their practical applicability. In this work, we propose a novel approach -- Bayesian Membership Inference Attack (BMIA), which performs conditional attack through Bayesian sampling. Specifically, we apply Laplace approximation to a single reference model to obtain a posterior over model parameters, enabling direct estimation of the conditional score distribution. Theoretically, we demonstrate that Bayesian sampling reduces intra-model variance, thereby improving attack power. This insight naturally motivates the multi-reference variant that further enhances performance when additional reference models are available. Extensive experiments across image, text, and tabular datasets indicate that our method achieves state-of-the-art performance in both effectiveness and efficiency.
Authors: Li Lin, Xinyu Hu, Xiaojun Wan
Abstract: Large language models (LLMs) achieve impressive performance across domains but face significant challenges when deployed on consumer-grade GPUs or personal devices such as laptops, due to high memory consumption and inference costs. Post-training quantization (PTQ) of LLMs offers a promising solution that reduces their memory footprint and decoding latency. In practice, PTQ with uniform quantization representation is favored due to its efficiency and ease of deployment, as uniform quantization is widely supported by mainstream hardware and software libraries. Recent studies on low-bit uniform quantization have led to noticeable improvements in post-quantization model performance; however, they mainly focus on quantization methodologies, while the initialization of quantization parameters remains underexplored and still relies on the conventional Min-Max formula. In this work, we identify the limitations of the Min-Max formula, move beyond its constraints, and propose NeUQI, a method that efficiently determines near-optimal initialization for uniform quantization. Our NeUQI simplifies the joint optimization of the scale and zero-point by deriving the zero-point for a given scale, thereby reducing the problem to a scale-only optimization. Benefiting from the improved quantization parameters, our NeUQI consistently outperforms existing methods in the experiments with the LLaMA and Qwen families on various settings and tasks. Furthermore, when combined with a lightweight distillation strategy, NeUQI even achieves superior performance to PV-tuning, a considerably more resource-intensive method.
Authors: David Koplow, Tomaso Poggio, Liu Ziyin
Abstract: Hebbian and anti-Hebbian plasticity are widely observed in the brain and are classically modeled as mechanistic, local homosynaptic rules stabilized by homeostatic constraints. This raises an identifiability question: does observing Hebbian/anti-Hebbian structure in synaptic updates uniquely imply an underlying Hebbian computation? We identify an alternative, emergent route. We show that near stationarity, L2 weight decay generically drives the \emph{learning-signal} component of many update rules to align with a Hebbian direction, with alignment increasing monotonically with decay strength. This Hebbian-like signature is not specific to SGD and can arise even for non-learning or random update rules long before learning has ceased. We further show that stochastic noise in the learning signal can induce anti-Hebbian alignment, yielding a simple tradeoff with weight decay and a phase boundary in regression settings. These mechanisms do not replace standard Hebbian theory; they can coexist with genuine Hebbian plasticity and complicate the interpretation of synaptic measurements, motivating experiments that distinguish mechanistic Hebbian computation from emergent Hebbian signatures.
Authors: Dooho Lee, Myeong Kong, Sagad Hamid, Cheonwoo Lee, Jaemin Yoo
Abstract: We revisit DropEdge, a data augmentation technique for GNNs which randomly removes edges to expose diverse graph structures during training. While being a promising approach to effectively reduce overfitting on specific connections in the graph, we observe that its potential performance gain in supervised learning tasks is significantly limited. To understand why, we provide a theoretical analysis showing that the limited performance of DropEdge comes from the fundamental limitation that exists in many GNN architectures. Based on this analysis, we propose Aggregation Buffer, a parameter block specifically designed to improve the robustness of GNNs by addressing the limitation of DropEdge. Our method is compatible with any GNN model, and shows consistent performance improvements on multiple datasets. Moreover, our method effectively addresses well-known problems such as degree bias or structural disparity as a unifying solution. Code and datasets are available at https://github.com/dooho00/agg-buffer.
Authors: Shichang Zhang, Hongzhe Du, Jiaqi W. Ma, Himabindu Lakkaraju
Abstract: Modern AI systems are typically developed through multiple stages-pretraining, fine-tuning rounds, and subsequent adaptation or alignment, where each stage builds on the previous ones and updates the model in distinct ways. This raises a critical question of accountability: when a deployed model succeeds or fails, which stage is responsible, and to what extent? We pose the accountability attribution problem for tracing model behavior back to specific stages of the model development process. To address this challenge, we propose a general framework that answers counterfactual questions about stage effects: how would the model's behavior have changed if the updates from a particular stage had not occurred? Within this framework, we introduce estimators that efficiently quantify stage effects without retraining the model, accounting for both the data and key aspects of model optimization dynamics, including learning rate schedules, momentum, and weight decay. We demonstrate that our approach successfully quantifies the accountability of each stage to the model's behavior. Based on the attribution results, our method can identify and remove spurious correlations learned during image classification and text toxicity detection tasks that were developed across multiple stages. Our approach provides a practical tool for model analysis and represents a significant step toward more accountable AI development.
Authors: SeungBum Ha, Saerom Park, Sung Whan Yoon
Abstract: Machine unlearning (MU) aims to expunge a designated forget set from a trained model without costly retraining, yet the existing techniques overlook two critical blind spots: "over-unlearning" that deteriorates retained data near the forget set, and post-hoc "relearning" attacks that aim to resurrect the forgotten knowledge. Focusing on class-level unlearning, we first derive an over-unlearning metric, OU@epsilon, which quantifies collateral damage in regions proximal to the forget set, where over-unlearning mainly occurs. Next, we expose an unforeseen relearning threat on MU, i.e., the Prototypical Relearning Attack, which exploits the per-class prototype of the forget class with just a few samples, and easily restores the pre-unlearning performance. To counter both blind spots in class-level unlearning, we introduce Spotter, a plug-and-play objective that combines (i) a masked knowledge-distillation penalty on the nearby region of forget classes to suppress OU@epsilon, and (ii) an intra-class dispersion loss that scatters forget-class embeddings, neutralizing Prototypical Relearning Attacks. Spotter achieves state-of-the-art results across CIFAR, TinyImageNet, and CASIA-WebFace datasets, offering a practical remedy to unlearning's blind spots.
Authors: Dorian Gailhard, Enzo Tartaglione, Lirida Naviner, Jhony H. Giraldo
Abstract: Graph generative models perform well on small structured data but struggle to scale to large, complex structures. Hierarchical approaches improve scalability but often ignore node and edge features, which are critical in real-world applications, particularly for hypergraphs that model higher-order relationships. In this paper, we propose FAHNES (feature-aware (hyper)graph generation via next-scale prediction), a hierarchical framework that jointly generates topology and features for graphs and hypergraphs. FAHNES builds multi-scale representations through node coarsening and localized expansion, guided by a novel hierarchical scale encoding that controls granularity and ensures cross-scale consistency. Experiments on synthetic, 3D mesh, and graph point cloud datasets demonstrate competitive or state-of-the-art performance while uniquely scaling to featured large-scale graphs and hypergraphs. Our code is open source
Authors: Patryk Krukowski, {\L}ukasz Gorczyca, Piotr Helm, Kamil Ksi\k{a}\.zek, Przemys{\l}aw Spurek
Abstract: Continual learning under adversarial conditions remains an open problem, as existing methods often compromise either robustness, scalability, or both. We propose a novel framework that integrates Interval Bound Propagation (IBP) with a hypernetwork-based architecture to enable certifiably robust continual learning across sequential tasks. Our method, SHIELD, generates task-specific model parameters via a shared hypernetwork conditioned solely on compact task embeddings, eliminating the need for replay buffers or full model copies and enabling efficient over time. To further enhance robustness, we introduce Interval MixUp, a novel training strategy that blends virtual examples represented as $\ell_{\infty}$ balls centered around MixUp points. Leveraging interval arithmetic, this technique guarantees certified robustness while mitigating the wrapping effect, resulting in smoother decision boundaries. We evaluate SHIELD under strong white-box adversarial attacks, including PGD and AutoAttack, across multiple benchmarks. It consistently outperforms existing robust continual learning methods, achieving state-of-the-art average accuracy while maintaining both scalability and certification. These results represent a significant step toward practical and theoretically grounded continual learning in adversarial settings.
Authors: Erkan Turan, Aristotelis Siozopoulos, Louis Martinez, Julien Gaubil, Emery Pierson, Maks Ovsjanikov
Abstract: Continuous Normalizing Flows (CNFs) enable elegant generative modeling but remain bottlenecked by their iterative nature requiring costly sampling and lacking interpretability of the intermediate states. Recent approaches accelerate sampling by straightening trajectories or distilling endpoints, yet they treat the original generative process as a black box, discarding the teacher's intermediate dynamics. We propose a fundamentally different perspective: globally linearizing flow dynamics via Koopman theory to achieve trajectory-preserving linearization. By lifting a pre-trained Conditional Flow Matching (CFM) model into a higher-dimensional Koopman space, we represent its evolution with a single linear operator. Crucially, unlike boundary-only distillation, our method enforces infinitesimal consistency with the teacher's vector field along the full generative path. We derive a practical, simulation-free training objective that ensures this global alignment and yields two key benefits. First, sampling becomes one-step and parallelizable. Second, because the linearization is faithful to the dynamics, the Koopman operator provides unique insights on the generation. We demonstrate that this structure enables novel applications unavailable in prior approaches, including discovery of semantically coherent editing directions, inversion with a teacher-aligned linear operator and class-conditional spectral signatures. Empirically, our approach achieves competitive sample quality, while enabling spectral analysis and control of the entire trajectories of generative flows.
Authors: Qian Xie, Linda Cai, Alexander Terenin, Peter I. Frazier, Ziv Scully
Abstract: In automated machine learning, scientific discovery, and other applications of Bayesian optimization, deciding when to stop evaluating expensive black-box functions in a cost-aware manner is an important but underexplored practical consideration. A natural performance metric for this purpose is the cost-adjusted simple regret, which explicitly captures the trade-off between solution quality and cumulative evaluation cost. Existing stopping rules for Bayesian optimization are either heuristic, or are theoretically grounded but designed to optimize simple regret without accounting for evaluation costs; as a result, they provide no guarantees against unnecessary evaluations when costs are high. We propose a principled cost-aware stopping rule for Bayesian optimization that adapts to varying evaluation costs without heuristic tuning. Our rule is grounded in a theoretical connection to state-of-the-art cost-aware acquisition functions, namely the Pandora's Box Gittins Index (PBGI) and log expected improvement per cost (LogEIPC). When paired with either acquisition function, we prove that the resulting policy satisfies a theoretical guarantee bounding the expected cost-adjusted simple regret. Across synthetic tasks and empirical benchmarks including hyperparameter optimization and neural architecture size search, pairing our stopping rule with PBGI or LogEIPC usually matches or outperforms other acquisition-function--stopping-rule pairs in terms of cost-adjusted simple regret.
Authors: Zeyu Zhao, Yueling Che, Kaichen Liu, Jian Li, Junmei Yao
Abstract: Multi-objective reinforcement learning (MORL) is a fundamental framework for real-world decision-making problems involving multiple conflicting criteria. Existing multi-policy (MP) methods typically rely on online evolutionary frameworks that maintain large policy populations, leading to high sample complexity and excessive agent-environment interactions. To mitigate these limitations, we present Multi-policy Pareto Front Tracking (MPFT), a framework without a self-evolving population. It leverages an efficient Pareto-tracking mechanism initialized with single-objective extreme policies to trace the Pareto front, and further densifies sparse regions to achieve an accurate approximation of the full Pareto front. MPFT can be seamlessly integrated with advanced offline MORL algorithms, thereby substantially improving sample efficiency. We evaluate MPFT on six robotic control tasks with up to three objectives and three high-dimensional tasks with more than three objectives. Experimental results show that MPFT outperforms state-of-the-art baselines in terms of hypervolume and expected utility. It also significantly reduces agent-environment interactions. These results further demonstrate that MPFT serves as a general-purpose framework that can seamlessly integrate both online and offline MORL algorithms.
Authors: Matteo Pinna, Andrea Ceni, Claudio Gallicchio
Abstract: We introduce a novel class of untrained Recurrent Neural Networks (RNNs) within the Reservoir Computing (RC) paradigm, called Residual Reservoir Memory Networks (ResRMNs). ResRMN combines a linear memory reservoir with a non-linear reservoir, where the latter is based on residual orthogonal connections along the temporal dimension for enhanced long-term propagation of the input. The resulting reservoir state dynamics are studied through the lens of linear stability analysis, and we investigate diverse configurations for the temporal residual connections. The proposed approach is empirically assessed on time-series and pixel-level 1-D classification tasks. Our experimental results highlight the advantages of the proposed approach over other conventional RC models.
Authors: Gabriel Moreira, Zita Marinho, Manuel Marques, Jo\~ao Paulo Costeira, Chenyan Xiong
Abstract: Traditional embeddings represent datapoints as vectors, which makes similarity easy to compute but limits how well they capture hierarchies and compositionality. We propose a fundamentally different approach: representing concepts as linear subspaces. By spanning multiple dimensions, subspaces can model broader concepts with higher-dimensional regions and nest more specific concepts within them. This geometry naturally captures generality through dimension, hierarchy through inclusion, and enables an emergent structure for composition via linear algebraic operations. To make this paradigm trainable, we introduce a differentiable subspace parameterization via soft projection matrices, allowing the effective dimension of each subspace to be learned. Our method not only achieves state-of-the-art performance on hierarchical and natural language inference benchmarks but also provides a geometrically-grounded model of entailment. Further, we demonstrate that while standard vector embeddings degrade to near-random performance on negated queries, subspace embeddings natively capture logical composition without explicit supervision, while preserving compatibility with efficient Euclidean vector search.
Authors: Yi Liu, Hongji Zhang, Yiwen Wang, Dimitris Tsaras, Lei Chen, Mingxuan Yuan, Qiang Xu
Abstract: Estimating the quality of register transfer level (RTL) designs is crucial in the electronic design automation (EDA) workflow, as it enables instant feedback on key performance metrics like area and delay without the need for time-consuming logic synthesis. While recent approaches have leveraged large language models (LLMs) to derive embeddings from RTL code and achieved promising results, they overlook the structural semantics essential for accurate quality estimation. In contrast, the control data flow graph (CDFG) view exposes the design's structural characteristics more explicitly, offering richer cues for representation learning. In this work, we introduce StructRTL, a novel structure-aware graph self-supervised learning framework for improved RTL design quality estimation. By learning structure-informed representations from CDFGs, StructRTL significantly outperforms prior art on various quality estimation tasks. To further boost performance, we incorporate a knowledge distillation strategy that transfers low-level insights from post-mapping netlists into the CDFG-based predictor. Experimental results demonstrate that StructRTL establishes new state-of-the-art results, highlighting the effectiveness of combining structural learning with cross-stage supervision.
Authors: Kaoru Otsuka, Yuki Takezawa, Makoto Yamada
Abstract: Partial participation is essential for communication-efficient federated learning at scale, yet existing Byzantine-robust methods typically assume full client participation. In the partial participation setting, a majority of the sampled clients may be Byzantine, once Byzantine clients dominate, existing methods break down immediately. We introduce delayed momentum aggregation, a principle where the central server aggregates cached momentum from non-sampled clients along with fresh momentum from sampled clients. This principle ensures Byzantine clients remain a minority from the server's perspective even when they dominate the sampled set. We instantiate this principle in our optimizer DeMoA. We analyze the convergence rate of DeMoA, showing that DeMoA is Byzantine-robust under partial participation. Experiments show that, with 20% Byzantine ratio and only 10% partial participation rate, DeMoA achieves the best accuracy even when existing methods fail empirically.
Authors: Feihu Huang, Yuning Luo, Songcan Chen
Abstract: Large models recently are widely applied in machine learning, so efficient training of large models has received widespread attention. More recently, the useful Muon optimizer is specifically designed for matrix-structured parameters of large models. Although some works have begun to study the Muon optimizer, the existing Muon and its variants still suffer from high sample complexity or high memory for large models. To fill this gap, we propose a light and fast Muon (LiMuon) optimizer for training large models, which builds on the momentum-based variance reduced technique and randomized Singular Value Decomposition (SVD). In particular, our LiMuon simultaneously has a lower memory and lower sample complexity than the Muon and its variants. Moreover, we prove that our LiMuon with lower memory has a lower sample complexity of $O(\epsilon^{-3})$ for finding an $\epsilon$-stationary solution of non-convex stochastic optimization under the generalized smooth condition. To further narrow practice and theory gap, we also prove that our LiMuon with Newton-Schulz steps has a lower sample complexity than the Muon with Newton-Schulz steps. Numerical experimental results on training Mamba-130M, Qwen2.5-0.5B and ViT models demonstrate effectiveness of our LiMuon.
Authors: Tian Lan, Hao Duong Le, Jinbo Li, Wenjun He, Meng Wang, Chenghao Liu, Chen Zhang
Abstract: Time series anomaly detection (TSAD) is a critical task, but developing models that generalize to unseen data in a zero-shot manner remains challenging. Existing foundation models for TSAD often rely on reconstruction-error scoring at inference time, which can miss subtle anomalies that are well reconstructed and can falsely flag complex but normal patterns in unseen domains. We introduce TimeRCD, a foundation model for TSAD built on Relative Context Discrepancy (RCD), a pre-training paradigm that trains the model to detect anomalies by comparing a query pattern with its surrounding context. This relational formulation, implemented with a standard Transformer architecture, enables the model to infer normality from the input context rather than relying on fixed global normal patterns. We further construct a large-scale synthetic corpus with context-dependent anomaly labels to provide supervised pre-training signals for RCD. Experiments across diverse benchmarks show that TimeRCD outperforms existing general-purpose and anomaly-specific foundation models in most zero-shot TSAD settings, while remaining competitive with dataset-specific full-shot baselines. These results provide empirical evidence that RCD is an effective direction for building robust and generalizable TSAD models.
Authors: Arjun Prakash, Naicheng He, Kaicheng Guo, Saket Tiwari, Ruo Yu Tao, Tyrone Serapio, Amy Greenwald, George Konidaris
Abstract: We investigate why deep neural networks suffer from loss of plasticity in continual learning, and thus fail to learn new tasks without reinitializing parameters. We show that this failure is preceded by Hessian spectral collapse at new-task initialization, where meaningful curvature directions vanish and gradient descent becomes ineffective. Analyzing a linearized ReLU network, we derive explicit $\epsilon$-rank conditions for successful training and prove that the loss-weighted Gram matrix is spectrally equivalent to the Generalized Gauss-Newton approximation, thereby relating NTK dynamics to Hessian curvature. Targeting spectral collapse directly, we then discuss the Kronecker factored approximation of the Hessian, which motivates two regularization enhancements: maintaining high effective feature rank and applying L2 penalties. Experiments on continual supervised and reinforcement learning tasks confirm that combining these two regularizers effectively preserves plasticity.
Authors: Yiwei Li, Shuai Wang, Zhuojun Tian, Xiuhua Wang, Shijian Su
Abstract: Federated Learning (FL) often adopts differential privacy (DP) to protect client data, but the added noise required for privacy guarantees can substantially degrade model accuracy. To resolve this challenge, we propose model-splitting privacy-amplified federated learning (MS-PAFL), a novel framework that combines structural model splitting with statistical privacy amplification. In this framework, each client's model is partitioned into a private submodel, retained locally, and a public submodel, shared for global aggregation. The calibrated Gaussian noise is injected only into the public submodel, thereby confining its adverse impact while preserving the utility of the local model. We further present a rigorous theoretical analysis that characterizes the joint privacy amplification achieved through random client participation and local data subsampling under this architecture. The analysis provides tight bounds on both single-round and total privacy loss, demonstrating that MS-PAFL significantly reduces the noise necessary to satisfy a target privacy protection level. Extensive experiments validate our theoretical findings, showing that MS-PAFL consistently attains a superior privacy-utility trade-off and enables the training of highly accurate models under strong privacy guarantees.
Authors: Kairun Zhang, Haoyu Li, Yanjun Zhao, Yifan Sun, Huan Zhang
Abstract: Zeroth-order optimizers have recently emerged as an attractive approach for fine-tuning large language models (LLMs), as they avoid backpropagation and can substantially reduce memory overhead relative to standard first-order training. However, existing zeroth-order methods rely on hand-crafted, static sampling strategies that are not adaptable to model-specific structures. To address this, we propose ZO-Finetuner, a learning-based zeroth-order optimizer for LLMs that automatically learns efficient perturbation strategies through a compact and memory-efficient design. Motivated by the fact that a small set of base LLMs is repeatedly fine-tuned across tasks, ZO-Finetuner supports one-time per-model training and reuse across downstream tasks with minimal overhead. Therefore, learning the optimizer once for a given LLM and reusing it across diverse downstream tasks is both feasible and highly desirable. Accordingly, ZO-Finetuner is designed to scale learning to learn (L2L) to the foundation-model era by supporting one-time per-model training with minimal overhead. Experiments on 4 LLMs and 7 datasets show that ZO-Finetuner outperforms prior zeroth-order baselines in 82.1\% of task-model combinations, thereby demonstrating strong performance and scalability for efficient LLM fine-tuning. The code can be found in https://github.com/ASTRAL-Group/ZO_Fine_tuner.
Authors: Maxime M\'eloux, Fran\c{c}ois Portet, Maxime Peyrard
Abstract: Mechanistic Interpretability (MI) aims to reverse-engineer model behaviors by identifying functional sub-networks. Yet, the scientific validity of these findings depends on their stability. In this work, we argue that circuit discovery is not a standalone task but a statistical estimation problem built upon causal mediation analysis (CMA). We uncover a fundamental instability at this base layer: exact, single-input CMA scores exhibit high intrinsic variance, implying that the causal effect of a component is a volatile random variable rather than a fixed property. We then demonstrate that circuit discovery pipelines inherit this variance and further amplify it. Fast approximation methods, such as Edge Attribution Patching and its successors, introduce additional estimation noise, while aggregating these noisy scores over datasets leads to fragile structural estimates. Consequently, small perturbations in input data or hyperparameters yield vastly different circuits. We systematically decompose these sources of variance and advocate for more rigorous MI practices, prioritizing statistical robustness and routine reporting of stability metrics.
Authors: Ali Dadsetan, Frank Rudzicz
Abstract: Privacy is a central concern when fine-tuning large language models (LLMs) on sensitive data, and differentially private stochastic gradient descent (DP-SGD) -- which clips per-sample gradients and adds calibrated Gaussian noise -- is the standard tool for formal privacy guarantees. Both theory and practice show that lower-rank models are better suited to DP training, a property especially relevant for LLMs, whose fine-tuning gradients exhibit a strong low-rank structure. Methods such as DP-LoRA exploit this by restricting updates to a low-rank subspace, i.e., retaining only a few non-zero components in the SVD of each layer's gradient. However, we argue that while having few non-zero components is important, the isotropic noise injected by DP-SGD inflates the singular values of the gradient matrix, disrupting their naturally fast decay. In this work, we investigate whether this noise-induced eigenvalue blow-up reduces performance, and show that partially restoring the original singular-value profile significantly improves the sample efficiency of DP-SGD. Experiments on language classification (GLUE benchmark with RoBERTa) and text generation (E2E and DART table-to-text benchmarks with Qwen and Llama models up to 4B parameters) showcase that restoring the fast decay of singular values is a viable strategy for speeding up the DP optimization process, without compromising privacy guarantees.
Authors: Madeline Navarro, Ali Azizpour, Santiago Segarra
Abstract: We propose an adaptive node feature selection approach for graph neural networks (GNNs) that identifies and removes unnecessary features during training. The ability to measure how features contribute to model output is key for interpreting decisions and reducing dimensionality by eliminating unhelpful variables. However, graph-structured data introduces complex dependencies that may be unsuited to classical feature importance metrics. Inspired by this, we present a data-, model-, and task-agnostic method that determines relevant features during training based on changes in validation performance upon permuting feature values. We theoretically motivate our approach by characterizing how the relationships between node data and graph structure influences GNN performance. Empirically, we show that (i) our highly general approach rivals the performance of tailored feature selection approaches that exploit prior assumptions; (ii) we return meaningful feature importance scores well before the GNN is fully trained; and (iii) our scores demonstrably extract relevant properties that inform feature importance for various graph learning settings.
Authors: Behraj Khan, Tahir Qasim Syed
Abstract: We present a theoretical framework for M-FISHER, a method for sequential distribution shift detection and stable adaptation in streaming data. For detection, we construct an exponential martingale from non-conformity scores and apply Ville's inequality to obtain time-uniform guarantees on false alarm control, ensuring statistical validity at any stopping time. Under sustained shifts, we further bound the expected detection delay as $\mathcal{O}(\log(1/\delta)/\Gamma)$, where $\Gamma$ reflects the post-shift information gain, thereby linking detection efficiency to distributional divergence. For adaptation, we show that Fisher-preconditioned updates of prompt parameters implement natural gradient descent on the distributional manifold, yielding locally optimal updates that minimize KL divergence while preserving stability and parameterization invariance. Together, these results establish M-FISHER as a principled approach for robust, anytime-valid detection and geometrically stable adaptation in sequential decision-making under covariate shift.
Authors: Linghao Kong, Inimai Subramanian, Yonadav Shavit, Micah Adler, Dan Alistarh, Nir Shavit
Abstract: This work demonstrates how increasing the number of neurons in a network without increasing its total number of non-zero parameters improves performance. We show that this gain corresponds with a decrease in interference between multiple features that would otherwise share the same neurons. On symbolic Boolean tasks, splitting each neuron into sparser sub-neurons with knowledge of the clauses systematically reduces polysemanticity metrics and yields higher task accuracy. Notably, even random splits of neuron weights approximate these gains, indicating that reduced collisions, not precise assignment, are a primary driver. Consistent with the superposition hypothesis, the benefits of this framework grow with increasing interference: when polysemantic load is high, accuracy improvements are the largest. Transferring these insights to more realistic models, including classifiers over CLIP embeddings, convolutional neural networks, and deeper multilayer networks, we find that widening networks while maintaining a constant non-zero parameter count consistently increases accuracy. These results identify an interpretability-grounded mechanism to leverage width against superposition, improving performance without increasing the number of non-zero parameters. Such a direction is well matched to modern accelerators, where memory movement of non-zero parameters, rather than raw compute, is often a dominant bottleneck.
Authors: Abdelkrim Zitouni, Mehdi Hennequin, Juba Agoun, Ryan Horache, Nadia Kabachi, Omar Rivasplata
Abstract: We derive a novel PAC-Bayesian generalization bound for reinforcement learning that explicitly accounts for Markov dependencies in the data, through the chain's mixing time. This contributes to overcoming challenges in obtaining generalization guarantees for reinforcement learning, where the sequential nature of data breaks the independence assumptions underlying classical bounds. The new bound provides non-vacuous certificates for modern off-policy algorithms such as Soft Actor-Critic. We demonstrate the practical utility of the bound through PB-SAC, a novel algorithm that optimizes the bound during training to guide exploration. Experiments across several continuous control tasks show that the proposed approach provides meaningful confidence certificates while maintaining competitive performance.
Authors: Nianyi Lin, Jiajie Zhang, Lei Hou, Juanzi Li
Abstract: A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) is the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation during training. While existing methods approximate the log-likelihoods by their evidence lower bounds (ELBOs) via customized Monte Carlo (MC) sampling, they incur significant memory overhead due to the need to retain all MC samples for the gradient computation of non-linear terms in the RL objective, and thus restrict feasible sample sizes, leading to imprecise likelihood approximations and distorted RL objective. To address this, we propose \emph{Boundary-Guided Policy Optimization} (BGPO), a memory-efficient RL algorithm that maximizes a specially constructed lower bound of the ELBO-based objective. This lower bound is carefully designed to satisfy two key properties: (1) Linearity: it is a linear sum where each term depends only on a single MC sample, thereby enabling gradient accumulation across samples and ensuring constant memory usage; (2) Equivalence: Both the value and gradient of this lower bound are equal to those of the ELBO-based objective in on-policy training, making it also an effective approximation for the original RL objective. These properties allow BGPO to adopt a large MC sample size, improving likelihood approximations and RL objective estimation, which in turn leads to enhanced performance. Experiments show that BGPO significantly outperforms previous RL algorithms for dLLMs in math problem solving, code generation, and planning tasks. Our codes and models are available at \href{https://github.com/THU-KEG/BGPO}{https://github.com/THU-KEG/BGPO}.
URLs: https://github.com/THU-KEG/BGPO, https://github.com/THU-KEG/BGPO
Authors: Sanghyeok Choi, Sarthak Mittal, V\'ictor Elvira, Jinkyoo Park, Esmeralda S. Whitammer
Abstract: This paper proposes a synergy of amortised and particle-based methods for sampling from distributions defined by unnormalised density functions. We state a connection between sequential Monte Carlo (SMC) and neural sequential samplers trained by maximum-entropy reinforcement learning (MaxEnt RL), wherein learnt sampling policies and value functions define proposal kernels and twist functions. Exploiting this connection, we introduce an off-policy RL training procedure for the sampler that uses samples from SMC -- using the learnt sampler as a proposal -- as a behaviour policy that better explores the target distribution. We describe techniques for stable joint training of proposals and twist functions and an adaptive weight tempering scheme to reduce training signal variance. Furthermore, building upon past attempts to use experience replay to guide the training of neural samplers, we derive a way to combine historical samples with annealed importance sampling weights within a replay buffer. On synthetic multi-modal targets (in both continuous and discrete spaces) and the Boltzmann distribution of alanine dipeptide conformations, we demonstrate improvements in approximating the true distribution as well as training stability compared to both amortised and Monte Carlo methods.
Authors: Dung V. Nguyen, Anh T. Nguyen, Minh H. Nguyen, Luc Q. Nguyen, Shiqi Jiang, Ethan Fetaya, Linh Duy Tran, Gal Chechik, Tan M. Nguyen
Abstract: Existing expert merging strategies for Sparse Mixture of Experts (SMoE) typically rely on input-dependent or input-independent averaging of expert parameters, but often lack a principled weighting mechanism. In this work, we reinterpret expert merging through the lens of game theory, revealing cooperative and competitive dynamics among experts. Based on this perspective, we introduce Nash Merging of Experts (NAMEx), a novel framework that incorporates Nash Bargaining into the merging process, enabling more balanced and efficient collaboration among experts. Additionally, we incorporate complex momentum into NAMEx to accelerate expert propagation with theoretical guarantees for convergence. Extensive experiments across language modelling, text classification, image classification, and zero-shot robustness under data corruption show that NAMEx consistently outperforms competing methods while integrating seamlessly with popular MoE architectures. Finally, we demonstrate NAMEx's scalability by applying it to large-scale systems, including Qwen1.5-MoE (14B) and DeepSeek-MoE (16B), where it proves effective in both zero-shot and fine-tuning settings. The code is publicly available at: https://github.com/anh147/NAMEx.
Authors: Hao Xiang Li, Michael Amir, Amanda Prorok
Abstract: The agent-environment co-design paradigm jointly optimises agent policies and environment configurations in search of improved system performance. With application domains ranging from warehouse logistics to windfarm management, co-design promises to fundamentally change how we deploy multi-agent systems. However, current co-design methods struggle to scale. They collapse under high-dimensional environment design spaces and suffer from sample inefficiency when addressing moving targets inherent to joint optimisation. We address these challenges by developing Diffusion Co-Design (DiCoDe), a scalable and sample-efficient co-design framework pushing co-design towards practically relevant settings. DiCoDe incorporates two core innovations. First, we introduce Projected Universal Guidance (PUG), a sampling technique that enables DiCoDe to explore a distribution of reward-maximising environments while satisfying hard constraints such as spatial separation between obstacles. Second, we devise a critic distillation mechanism to share knowledge from the reinforcement learning critic, ensuring that the guided diffusion model adapts to evolving agent policies using a dense and up-to-date learning signal. Together, these improvements lead to superior environment-policy pairs when validated on challenging multi-agent environment co-design benchmarks including warehouse automation, multi-agent pathfinding and wind farm optimisation. Our method consistently exceeds the state-of-the-art, achieving, for example, 39% higher rewards in the warehouse setting with 66% fewer simulation samples. This sets a new standard in agent-environment co-design, and is a stepping stone towards reaping the rewards of co-design in real world domains.
Authors: Yashshi Pipalani, Hritik Raj, Rajat Ghosh, Vaishnavi Bhargava, Debojyoti Dutta
Abstract: Training data imbalance poses a major challenge for code LLMs. Most available data heavily over represents raw opensource code while underrepresenting broader software engineering tasks, especially in low resource languages like Golang. As a result, models excel at code autocompletion but struggle with real world developer workflows such as unit test generation. To address this gap, we introduce GO UT Bench, a benchmark dataset of 5264 pairs of code and unit tests, drawn from 10 permissively licensed Golang repositories spanning diverse domain. We evaluate its effectiveness as a fine tuning dataset across two LLM families i.e. mixture of experts and dense decoders. Our results show that finetuned models outperform their base counterparts on more than 75% of benchmark tasks.
Authors: Ziyang Zhang, Xinheng Ding, Jiayi Yuan, Rixin Liu, Huizi Mao, Jiarong Xing, Zirui Liu
Abstract: Deterministic inference is increasingly critical for large language model (LLM) applications such as LLM-as-a-judge evaluation, multi-agent systems, and Reinforcement Learning (RL). However, existing LLM serving frameworks exhibit non-deterministic behavior: identical inputs can yield different outputs when system configurations (e.g., tensor parallel (TP) size, batch size) vary, even under greedy decoding. This arises from the non-associativity of floating-point arithmetic and inconsistent reduction orders across GPUs. While prior work has addressed batch-size-related nondeterminism through batch-invariant kernels, determinism across different TP sizes remains an open problem, particularly in RL settings, where the training engine typically uses Fully Sharded Data Parallel (i.e., TP = 1) while the rollout engine relies on multi-GPU TP to maximize the inference throughput, creating a natural mismatch between the two. This precision mismatch problem may lead to suboptimal performance or even collapse for RL training. We identify and analyze the root causes of TP-induced inconsistency and propose Tree-Based Invariant Kernels (TBIK), a set of TP-invariant matrix multiplication and reduction primitives that guarantee bit-wise identical results regardless of TP size. Our key insight is to align intra- and inter-GPU reduction orders through a unified hierarchical binary tree structure. We implement these kernels in Triton and integrate them into vLLM and FSDP. Experiments confirm zero probability divergence and bit-wise reproducibility for deterministic inference across different TP sizes. Also, we achieve bit-wise identical results between vLLM and FSDP in RL training pipelines with different parallel strategy. Code is available at https://github.com/nanomaoli/llm_reproducibility.
Authors: Bing Liu, Boao Kong, Limin Lu, Kun Yuan, Chengcheng Zhao
Abstract: Decentralized learning often involves a weighted global loss with heterogeneous node weights $\lambda$. We revisit two natural strategies for incorporating these weights: (i) embedding them into the local losses to retain a uniform weight (and thus a doubly stochastic matrix), and (ii) keeping the original losses while employing a $\lambda$-induced row-stochastic matrix. Although prior work shows that both strategies target the same $\lambda$-weighted global loss, it remains unclear whether the Euclidean-space guarantees are tight and what fundamentally differentiates their behaviors. To clarify this, we develop a weighted Hilbert-space framework $L^2(\lambda;\mathbb{R}^d)$ and obtain convergence rates that are strictly tighter than those from standard Euclidean analysis. In this geometry, the row-stochastic matrix becomes \emph{self-adjoint} whereas the doubly stochastic one does not, creating additional \emph{penalty terms} that amplify consensus error, thereby slowing convergence. Consequently, the difference in convergence arises not only from spectral gaps but also from these penalty terms. We then derive sufficient conditions under which the row-stochastic design converges faster even with a smaller spectral gap. Finally, by using a Rayleigh-quotient and Loewner-order eigenvalue comparison, we further obtain topology conditions that guarantee this advantage and yield practical topology-design guidelines.
Authors: Wanli Zhong, Haibo Feng, Zirui Zhou, Hanyang Peng, Shiqi Yu
Abstract: Deploying Transformer models on edge devices is limited by latency and energy budgets. While INT8 quantization effectively accelerates the primary matrix multiplications, it exposes the softmax-related path as the dominant bottleneck. This stage incurs a costly dequantize -> softmax -> requantize detour, which can account for up to 65% of total attention latency and disrupts the end-to-end integer dataflow critical for edge hardware efficiency. To address this limitation, we present IntAttention, the first fully integer attention pipeline that serves as a training-free drop-in replacement. At the core of our approach lies IndexSoftmax, a hardware-friendly operator that replaces floating-point exponentials entirely within the integer domain. IntAttention integrates sparsity-aware clipping, a 32-entry lookup table approximation, and direct integer normalization, thereby eliminating datatype conversion overhead along the attention path. Experiments on Armv8 CPUs show that our method achieves up to 3.7x speedup and 61% energy reduction over FP16 baselines, and up to 2.0x speedup over conventional INT8 attention pipelines. Across diverse language and vision models, as well as additional reasoning and long-context evaluations, IntAttention maintains strong overall fidelity and demonstrates a more favorable trade-off than existing LUT-based softmax approximations. Code is available at https://github.com/WanliZhong/IntAttention
Authors: Cassandra Goldberg, Chaehyeon Kim, Adam Stein, Eric Wong
Abstract: Concept vectors aim to enhance model interpretability by linking internal representations with human-understandable semantics, but their practical utility is often limited by noisy and inconsistent activations. In this work, we uncover the SuperActivator Mechanism: a transformer dynamic that amplifies concept activation gaps, concentrating the most reliable concept evidence into a small set of high-activation tokens. To develop a theoretical understanding of this mechanism, we prove that concept-aligned attention heads multiplicatively amplify pairwise activation gaps, with already-extreme activations growing fastest. We find that this amplification is not just theoretical, but also occurs empirically on large-scale models: while in- and out-of-concept activation distributions overlap considerably, the in-concept distribution develops a positive tail clearly separated from the noise. These high-tail tokens, which we call SuperActivators, appear consistently across concept-positive samples, making them reliable indicators of concept presence. Accordingly, SuperActivator-based detection improves F1 by up to 0.14 over standard concept activation aggregators and prompting baselines across image and text modalities, models, layers, and concept extraction techniques, demonstrating the generality and practicality of our insights. Further empirical analysis demonstrates that the most reliable SuperActivators are sparse, with detection typically peaking when using only 5-10% of in-concept token activations, and capture more faithful localized semantics than global concept vectors.
Authors: Dooho Lee, Myeong Kong, Minho Jeong, Jaemin Yoo
Abstract: Generalizing pretrained models to unseen datasets without retraining is a central challenge toward foundation models. Achieving fully inductive inference on numerical data is particularly difficult due to large variations in feature dimensionality and semantics across datasets. We observe that, in the presence of graph structure, numerical data admits a distinct structure-induced representational axis beyond the feature space, which we formalize as the view space. This view space enables a unified representation of graphs with heterogeneous features and motivates Graph View Transformation (GVT), a class of parametric mappings that can be shared across arbitrary graphs. We instantiate this framework with Recurrent GVT, an architecture for fully inductive node representation learning in node classification. Pretrained on OGBN-Arxiv and evaluated on 27 benchmarks, Recurrent GVT outperforms GraphAny, the prior fully inductive graph model, by +8.93%, and surpasses 12 individually tuned GNNs by at least +3.30%. These results establish the view space as a principled and practical foundation for learning across graphs with heterogeneous feature spaces. Code and checkpoints are available in https://github.com/dooho00/graph-view-space.
Authors: Victor M. Yeom-Song, Severi Rissanen, Arno Solin, Samuel Kaski, Mingfei Sun
Abstract: Diffusion models have become a powerful generative prior for solutions of partial differential equations (PDEs). Existing approaches enforce physical constraints either by adding the PDE residuals as loss regularizers or through inference-time adjustments. These methods bias the model away from the true data distribution, which is especially problematic when the governing PDE is misspecified. To circumvent these issues while making the most out of the PDE constraint, we introduce soft inductive biases into the denoiser architecture derived from the PDEs. We show that these softly constrained denoisers exploit constraint knowledge to improve compliance over standard denoisers, while maintaining enough flexibility to deviate from it in case of misspecification with respect to observed data.
Authors: Yuqiao Tan, Minzheng Wang, Shizhu He, Huanxuan Liao, Chengfeng Zhao, Qiunan Lu, Tian Liang, Jun Zhao, Kang Liu
Abstract: Existing reinforcement learning (RL) approaches treat large language models (LLMs) as a unified policy, overlooking their internal mechanisms. In this paper, we decompose the LLM-based policy into Internal Layer Policies and Internal Modular Policies via the Transformer's residual stream. Our entropy analysis of internal policy reveals distinct patterns: (1) universally, internal policies evolve from high-entropy exploration in early layers to deterministic refinement in the top layers; and (2) Qwen exhibits an explicit progressive reasoning structure, contrasting with the abrupt convergence in Llama. Furthermore, we discover that optimizing internal layers induces feature refinement, forcing lower layers to capture high-level reasoning representations early. Motivated by these findings, we propose Bottom-up Policy Optimization (BuPO), a novel RL paradigm that reconstructs the LLM's reasoning foundation from the bottom up by optimizing internal layers in early stages. Extensive experiments on complex reasoning benchmarks demonstrate the effectiveness of BuPO.
Authors: Saeed Mohammadzadeh, Erfan Hamdi, Joel Shor, Emma Lejeune
Abstract: As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics, which develops and applies mathematical models and numerical methods to predict the behavior of physical systems under forces, deformation, and constraints, provides an ideal foundation for structured scientific reasoning evaluation. Problems follow clear mathematical structure, enforce strict physical and numerical constraints, and support objective verification. The discipline requires constructing explicit models of physical systems and reasoning about geometry, spatial relationships, and material behavior, connecting directly to emerging AI goals in physical reasoning and world modeling. We introduce FEM-Bench, a computational mechanics benchmark designed to evaluate the ability of LLMs to generate correct finite element method (FEM) and related code. FEM-Bench 2025 contains a suite of introductory but nontrivial tasks aligned with material from a first graduate course on computational mechanics. These tasks capture essential numerical and physical modeling challenges while representing only a small fraction of the complexity present in the discipline. Despite their simplicity, state-of-the-art LLMs do not reliably solve all of them. In a five attempt run, the best performing model at function writing, Gemini 3 Pro, completed 30/33 tasks at least once and 26/33 tasks all five times. The best performing model at unit test writing, GPT-5, had an Average Joint Success Rate of 73.8%. Other popular models showed broad performance variation. FEM-Bench establishes a structured foundation for evaluating AI-generated scientific code, and future iterations will incorporate increasingly sophisticated tasks to track progress as models evolve.
Authors: Hansen Jin Lillemark, Benhao Huang, Fangneng Zhan, Yilun Du, Thomas Anderson Keller
Abstract: Embodied systems experience the world as 'a symphony of flows': a combination of many continuous streams of sensory input coupled to self-motion, interwoven with the dynamics of external objects. These sensory streams and the underlying dynamics of the world obey smooth, time-parameterized symmetries which existing world models ignore. Without a memory that respects this structure, partial observability presents a major obstacle to existing methods: each observation reveals only a fraction of the world, while unobserved regions continue to evolve. In this work, we introduce Flow Equivariant World Modeling, a framework that leverages time-parameterized symmetries within a latent memory for stable and accurate dynamics prediction over long horizons. The latent memory shifts and transforms equivariantly with self-motion and inferred external object motion, keeping information about out-of-view regions aligned as time progresses. We demonstrate the advantage of this framework over state-of-the-art diffusion, memory-augmented, and recurrent world model architectures on 2D and 3D partially observed video world modeling benchmarks. More broadly, our results suggest that predictive representations become more powerful when they are organized in line with the temporal and dynamical structure of the world they model. Project page: https://flowequivariantworldmodels.github.io/
Authors: Selim Jerad, Anej Svete, Sophie Hao, Ryan Cotterell, William Merrill
Abstract: Transformers excel empirically on tasks that process well-formed inputs according to some grammar, such as natural language and code. However, it remains unclear how they can process grammatical syntax. In fact, under standard complexity conjectures, standard transformers cannot recognize context-free languages (CFLs), a canonical formalism to describe syntax, or even regular languages, a subclass of CFLs. Past work has shown that $\mathcal{O}(\log(N))$ looping layers (w.r.t. input length $N$) allow transformers to recognize regular languages, but the question of context-free recognition with looped transformers remained open. In this work, we show that looped transformers with $\mathcal{O}(\log(N))$ looping layers and $\mathcal{O}(N^6)$ padding symbols can recognize all CFLs. However, training and inference with $\mathcal{O}(N^6)$ padding symbols is potentially impractical. Fortunately, we show that, for natural subclasses such as unambiguous CFLs, the recognition problem on transformers becomes more tractable, requiring $\mathcal{O}(N^3)$ padding. Empirically, looped and padded transformers perform better than fixed-depth transformers in recognizing CFLs. Overall, our results shed light on the intricacy of CFL recognition by transformers: while general recognition may require an intractable amount of padding, natural constraints such as unambiguity yield efficient recognition algorithms.
Authors: Polina Dolgova, Sebastian U. Stich
Abstract: Certified unlearning based on differential privacy offers strong guarantees but remains largely impractical: the noisy fine-tuning approaches proposed so far achieve these guarantees but severely reduce model accuracy. We propose sequential noise scheduling, which distributes the noise budget across orthogonal subspaces of the parameter space, rather than injecting it all at once. This simple modification mitigates the destructive effect of noise while preserving the original certification guarantees. We extend the analysis of noisy fine-tuning to the subspace setting, proving that the same $(\varepsilon,\delta)$ privacy budget is retained. Empirical results on image classification benchmarks show that our approach substantially improves accuracy after unlearning while remaining robust to membership inference attacks. These results show that certified unlearning can achieve both rigorous guarantees and practical utility.
Authors: Yifan Zhang, Wei Bi, Kechi Zhang, Dongming Jin, Jie Fu, Zhi Jin
Abstract: Algorithm extraction aims to synthesize executable programs directly from models trained on algorithmic tasks, enabling de novo recovery of executable mechanisms from weights without relying on human-written target programs. However, applying this paradigm to Transformer is complicated by representation entanglement (e.g., superposition), where features encoded in overlapping directions substantially hinder the recovery of symbolic expressions. We propose the Discrete Transformer, an architecture explicitly designed to bridge the gap between continuous representations and discrete symbolic logic. By injecting discreteness through temperature-annealed sampling, our framework effectively leverages hypothesis testing and symbolic regression to extract human-readable programs. Empirically, the Discrete Transformer achieves performance comparable to the RNN-based MIPS baseline on shared discrete tasks, while broadening extraction to tasks with continuous-valued intermediate computations. Finally, we show that architectural inductive biases provide fine-grained control over synthesized programs, establishing the Discrete Transformer as a controllable testbed for algorithm extraction and Transformer interpretability.
Authors: Shuhang Tan, Jayson Sia, Paul Bogdan, Radoslav Ivanov
Abstract: This paper provides a fresh view of the neural network (NN) pruning problem through the lens of graph theory. To achieve effective pruning, we aim to identify the main NN data flows and the corresponding NN connections that are most and least important for the performance of the full model. Unlike the standard approach to NN data flow analysis, which is based on information theory, we employ the notion of graph curvature, specifically Ollivier-Ricci curvature (ORC). ORC has been successfully used to identify important graph edges in various domains such as road traffic analysis, biological networks, and social networks. In particular, edges with negative ORC are considered bottlenecks and are therefore critical to the graph's overall connectivity, whereas positive-ORC edges are less essential. We use this intuition for NNs to (1) construct a graph induced by the NN structure and introduce the notion of neural curvature (NC) based on ORC; (2) calculate curvatures based on activation patterns for a set of input examples; and (3) demonstrate that NC can be used to rank edges according to their importance for overall NN functionality. We evaluate our method through pruning experiments on a variety of small and medium size models trained on three image datasets: MNIST, CIFAR-10, and CIFAR-100. The results indicate that our method can identify a larger number of unimportant edges compared to existing pruning methods.
Authors: Dai Hai Nguyen, Duc Dung Nguyen, Atsuyoshi Nakamura, Hiroshi Mamitsuka
Abstract: We study multi-objective optimization over probability distributions in Wasserstein space. Recently, Nguyen et al. (2025) introduced Multiple Wasserstein Gradient Descent (MWGraD) algorithm, which exploits the geometric structure of Wasserstein space to jointly optimize multiple objectives. Building on this approach, we propose an accelerated variant, A-MWGraD, inspired by Nesterov's acceleration. We analyze the continuous-time dynamics and establish convergence to weakly Pareto optimal points in probability space. Our theoretical results show that A-MWGraD achieves a convergence rate of O(1/t^2) for geodesically convex objectives and O(e^{-\sqrt{\beta}t}) for $\beta$-strongly geodesically convex objectives, improving upon the O(1/t) rate of MWGraD in the geodesically convex setting. We further introduce a practical kernel-based discretization for A-MWGraD and demonstrate through numerical experiments that it consistently outperforms MWGraD in convergence speed and sampling efficiency on multi-target sampling tasks.
Authors: Binyan Xu, Fan Yang, Xilin Dai, Di Tang, Kehuan Zhang
Abstract: Deep Neural Networks remain inherently vulnerable to backdoor attacks. Traditional test-time defenses largely operate under the paradigm of internal diagnosis methods like model repairing or input robustness, yet these approaches are often fragile under advanced attacks as they remain entangled with the victim model's corrupted parameters. We propose a paradigm shift from Internal Diagnosis to External Semantic Auditing, arguing that effective defense requires decoupling safety from the victim model via an independent, semantically grounded auditor. To this end, we present a framework harnessing Universal Vision-Language Models (VLMs) as evolving semantic gatekeepers. We introduce PRISM (Prototype Refinement & Inspection via Statistical Monitoring), which overcomes the domain gap of general VLMs through two key mechanisms: a Hybrid VLM Teacher that dynamically refines visual prototypes online, and an Adaptive Router powered by statistical margin monitoring to calibrate gating thresholds in real-time. Extensive evaluation across 17 datasets and 11 attack types demonstrates that PRISM achieves state-of-the-art performance, suppressing Attack Success Rate to <1% on CIFAR-10 while improving clean accuracy, establishing a new standard for model-agnostic, externalized security.
Authors: Mingyue Xu, Gal Vardi, Itay Safran
Abstract: We study grokking, the onset of generalization long after overfitting, in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.
Authors: Minseo Kwak, Jaehyung Kim
Abstract: The opacity of massive pretraining corpora in Large Language Models (LLMs) raises significant privacy and copyright concerns, making pretraining data detection a critical challenge. Existing state-of-the-art methods typically rely on token likelihoods, yet they often overlook the gap between the target token and the model's top-1 prediction, as well as local correlations between adjacent tokens. In this work, we propose Gap-K%, a novel pretraining data detection method grounded in the optimization dynamics of LLM pretraining. By analyzing the next-token prediction objective, we observe that discrepancies between the model's top-1 prediction and the target token induce strong gradient signals, which are explicitly penalized during training. Motivated by this, Gap-K% leverages the log probability gap between the top-1 predicted token and the target token, incorporating a sliding window strategy to capture local correlations and mitigate token-level fluctuations. Extensive experiments on the WikiMIA and MIMIR benchmarks demonstrate that Gap-K% achieves state-of-the-art performance, consistently outperforming prior baselines across various model sizes and input lengths.
Authors: Steve Hanneke, Mingyue Xu
Abstract: Multitask learning and related frameworks have achieved tremendous success in modern applications. In multitask learning problem, we are given a set of heterogeneous datasets collected from related source tasks and hope to enhance the performance above what we could hope to achieve by solving each of them individually. The recent work of arXiv:2006.15785 has showed that, without access to distributional information, no algorithm based on aggregating samples alone can guarantee optimal risk as long as the sample size per task is bounded. In this paper, we focus on understanding the statistical limits of multitask learning. We go beyond the no-free-lunch theorem in arXiv:2006.15785 by establishing a stronger impossibility result of adaptation that holds for arbitrarily large sample size per task. This improvement conveys an important message that the hardness of multitask learning cannot be overcame by having abundant data per task. We also discuss the notion of optimal adaptivity that may be of future interests.
Authors: Vahid Shahverdi, Giovanni Luca Marchetti, Georg B\"okman, Kathl\'en Kohn
Abstract: We investigate the relation between end-to-end equivariance and layerwise equivariance in deep neural networks. We prove the following: For a network whose end-to-end function is equivariant with respect to group actions on the input and output spaces, there is a parameter choice yielding the same end-to-end function such that its layers are equivariant with respect to some group actions on the latent spaces. Our result assumes that the parameters of the model are identifiable in an appropriate sense. This identifiability property has been established in the literature for a large class of networks, to which our results apply immediately, while it is conjectural for others. The theory we develop is grounded in an abstract formalism, and is therefore architecture-agnostic. Overall, our results provide a mathematical explanation for the emergence of equivariant structures in the weights of neural networks during training -- a phenomenon that is consistently observed in practice.
Authors: Luca Benfenati, Matteo Risso, Andrea Vannozzi, Ahmet Caner Y\"uz\"ug\"uler, Lukas Cavigelli, Enrico Macii, Daniele Jahier Pagliari, Alessio Burrello
Abstract: Key-value (KV) caching enables fast autoregressive decoding but at long contexts becomes a dominant bottleneck in High Bandwidth Memory (HBM) capacity and bandwidth. A common mitigation is to compress cached keys and values by projecting per-head matrices to a lower rank, storing only the projections in the HBM. However, existing post-training approaches typically fit these projections using SVD-style proxy objectives, which may poorly reflect end-to-end reconstruction after softmax, value mixing, and subsequent decoder-layer transformations. For these reasons, we introduce StiefAttention, a post-training KV-cache compression method that learns orthonormal projection bases by directly minimizing decoder-layer output reconstruction error. StiefAttention additionally constructs layer-wise error-rank profiles over candidate ranks, enabling sequential rank allocation under a user-specified KV cache budget. Notably, on Llama3-8B under the same conditions, StiefAttention outperforms EigenAttention by $4.2$ points on C4 perplexity and $8.9$ points on 0-shot MMLU accuracy at iso-compression, yielding lower relative error and higher cosine similarity with respect to the original decoder-layer outputs.
Authors: Mehmet Ozgur Turkoglu, Dominik J. M\"uhlematter, Alexander Becker, Konrad Schindler, Helge Aasen
Abstract: Foundation models have become a dominant paradigm in machine learning, achieving remarkable performance across diverse tasks through large-scale pretraining. However, they often yield overconfident, uncalibrated predictions. The standard approach to quantifying epistemic uncertainty are ensembles of multiple independently trained models. But their computational cost scales linearly with ensemble size, making them impractical for large foundation models. We propose Singular Value Ensemble (SVE), a parameter-efficient implicit ensembling method. SVE builds on a simple, but powerful core assumption: namely, that the singular vectors of the weight matrices correspond to meaningful directions in the representation space. If the singular vectors are indeed meaningful (orthogonal) "knowledge directions", then a model ensemble can be obtained by modulating only how strongly each direction contributes to the output. Rather than learning new parameters for each ensemble member, we freeze the singular vectors and only train per-member singular values that rescale the contribution of each direction in that shared knowledge basis. Ensemble diversity emerges naturally during joint training as stochastic initialization and random batch sampling cause different members to converge to different combinations of the same underlying knowledge. SVE performs comparable to an explicit ensemble, while increasing the parameter count of the base model by <1%, making principled uncertainty estimation accessible in resource-constrained settings. We validate SVE on NLP and vision tasks with various different backbones and show that it improves calibration while maintaining predictive accuracy.
Authors: Matteo Pinna, Giacomo Lagomarsini, Andrea Ceni, Claudio Gallicchio
Abstract: Reservoir Computing (RC) has established itself as an efficient paradigm for temporal processing. However, its scalability remains severely constrained by the need to process temporal data sequentially and the prohibitive memory footprint of high-dimensional reservoirs. To address these limitations, we revisit RC through the lens of structured operators and state space modeling, introducing Parallel Echo State Network (ParalESN). Leveraging diagonal linear recurrence in the complex domain, ParalESN enables parallel processing of temporal data and the construction of efficient, high-dimensional reservoirs. A thorough theoretical analysis demonstrates that the Echo State Property and the universality guarantees of traditional Echo State Networks are preserved, while also admitting an equivalent representation of arbitrary linear reservoirs in the complex diagonal form. Empirically, ParalESN achieves competitive predictive accuracy with traditional RC and with fully trainable sequence models, while delivering computational savings by orders of magnitude. Overall, ParalESN offers a scalable and principled pathway for integrating RC within the deep learning landscape.
Authors: Yannis Montreuil, Letian Yu, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-defer (L2D) routes each decision to a system's own predictor or to an external expert. Streaming time-series settings break the offline-L2D assumptions: the data are non-stationary, expert availability shifts over time, and the internal predictor is trained online. We propose L2D-SLDS, a one-stage online L2D framework based on a factorized switching linear-Gaussian state-space model over all potential residuals: a discrete regime, a shared global factor, and per-expert idiosyncratic states. The always-observed internal residual continuously updates beliefs about every unqueried expert through the shared factor, and a learner-aware query score balances immediate cost against latent-state information gain and one-step learner improvement. We prove an oracle inequality against a time-varying learn-and-defer comparator, decomposing regret into a query-bonus budget, an SLDS predictive-cost-error term~$\mathcal{E}_{\mathrm{SLDS}}$, and the internal learner's interval dynamic regret. On synthetic, Melbourne, Jena, and 24-expert Delhi benchmarks, L2D-SLDS is competitive with or improves on contextual- and non-stationary-bandit baselines while deferring on ${<}2\%$ of real-data rounds.
Authors: Patrick Putzky, Martin Genzel, Mattes Mollenhauer, Sebastian Schulze, Thomas Wollmann, Stefan Dietzel
Abstract: Post-training compression is currently divided into two contrasting regimes. On the one hand, fast, data-free, and model-agnostic methods (e.g., NF4 or HQQ) offer maximum accessibility but suffer from functional collapse at extreme bit-rates below 4 bits. On the other hand, techniques leveraging calibration data or extensive recovery training achieve superior fidelity but impose high computational constraints and face uncertain robustness under data distribution shifts. We introduce EntQuant, a framework that unites the advantages of these distinct paradigms. By matching the performance of data-dependent methods with the speed and universality of data-free techniques, EntQuant enables practical utility in the extreme compression regime. Our method decouples numerical precision from storage cost via entropy coding, compressing a 70B parameter model in less than 10 minutes. We demonstrate that EntQuant does not only achieve state-of-the-art results on standard evaluation sets and models, but also retains functional performance on more complex benchmarks with instruction-tuned models, all at modest inference overhead.
Authors: Xiang Wu, Rong-Hua Li, Xunkai Li, Kangfei Zhao, Hongchao Qin, Guoren Wang
Abstract: Graph coarsening reduces the size of a graph while preserving certain properties. Most existing methods preserve either spectral or spatial characteristics. Recent research shows that topology-preserving coarsening methods maintain GNN performance on coarsened graphs but suffer from exponential time complexity. To address these problems, we propose Scalable Topology-Preserving Graph Coarsening (STPGC) by introducing the concepts of graph strong collapse and graph edge collapse extended from algebraic topology. STPGC comprises three new algorithms, GStrongCollapse, GEdgeCollapse, and NeighborhoodConing based on these two concepts, which eliminate dominated nodes and edges while rigorously preserving topological features. We further prove that STPGC preserves the GNN receptive field and develop approximate algorithms to accelerate GNN training. Experiments on node classification with GNNs demonstrate the efficiency and effectiveness of STPGC.
Authors: Pyo Min Hong, Albert No
Abstract: We propose dgMARK, a decoding-guided watermarking method for discrete diffusion language models (dLLMs). Unlike autoregressive models, dLLMs can generate tokens in arbitrary order. While an ideal conditional predictor would be invariant to this order, practical dLLMs exhibit strong sensitivity to the unmasking order, creating a new channel for watermarking. dgMARK steers the unmasking order toward positions whose high-reward candidate tokens satisfy a simple parity constraint induced by a binary hash, without explicitly reweighting the model's learned probabilities. The method is plug-and-play with common decoding strategies (e.g., confidence, entropy, and margin-based ordering) and can be strengthened with a one-step lookahead variant. Watermarks are detected via elevated parity-matching statistics, and a sliding-window detector ensures robustness under post-editing operations including insertion, deletion, substitution, and paraphrasing. Project website: https://dgmark-watermarking.github.io
Authors: Hao Ma, Melis Ilayda Bal, Liang Zhang, Bingcong Li, Niao He, Melanie Zeilinger, Michael Muehlebach
Abstract: Modern large language models are increasingly deployed under compute and memory constraints, making flexible control of model capacity a central challenge. While sparse and low-rank structures naturally trade off capacity and performance, existing approaches often rely on heuristic designs that ignore layer and matrix heterogeneity or require model-specific architectural modifications. We propose SALAAD, a plug-and-play framework applicable to different model architectures that induces sparse and low-rank structures during training. By formulating structured weight learning under an augmented Lagrangian framework and introducing an adaptive controller that dynamically balances the training loss and structural constraints, SALAAD preserves the stability of standard training dynamics while enabling explicit control over the evolution of effective model capacity during training. Experiments across model scales show that SALAAD substantially reduces memory consumption during deployment while achieving performance comparable to ad-hoc methods. Moreover, a single training run yields a continuous spectrum of model capacities, enabling smooth and elastic deployment across diverse memory budgets without the need for retraining.
Authors: Fabio Turazza, Marco Picone, Marco Mamei
Abstract: Classical Federated Learning relies on a multi-round iterative process of model exchange and aggregation between server and clients, with high communication costs and privacy risks from repeated model transmissions. In contrast, one-shot federated learning (OFL) alleviates these limitations by reducing communication to a single round, thereby lowering overhead and enhancing practical deployability. Nevertheless, most existing one-shot approaches remain either impractical or constrained, for example, they often depend on the availability of a public dataset, assume homogeneous client models, or require uploading additional data or model information. To overcome these issues, we introduce the Gaussian-Head OFL (GH-OFL) family, a suite of one-shot federated methods that assume class-conditional Gaussianity of pretrained embeddings. Clients transmit only sufficient statistics (per-class counts and first/second-order moments) and the server builds heads via three components: (i) Closed-form Gaussian heads (NB/LDA/QDA) computed directly from the received statistics; (ii) FisherMix, a linear head with cosine margin trained on synthetic samples drawn in an estimated Fisher subspace; and (iii) Proto-Hyper, a lightweight low-rank residual head that refines Gaussian logits via knowledge distillation on those synthetic samples. In our experiments, GH-OFL methods deliver state-of-the-art robustness and accuracy under strong non-IID skew while remaining strictly data-free.
Authors: Jiayu Bai, Danchen Yu, Zhenyu Liao, TianQi Hou, Feng Zhou, Robert C. Qiu, Zenan Ling
Abstract: Kronecker adapters have emerged as a promising approach for fine-tuning large-scale models, enabling high-rank updates through tunable component structures. However, existing work largely treats the component structure as a fixed or heuristic design choice, leaving the dimensions and number of Kronecker components underexplored. In this paper, we identify component structure as a key factor governing the capacity of Kronecker adapters. We perform a fine-grained analysis of both the dimensions and number of Kronecker components. In particular, we show that the alignment between Kronecker adapters and full fine-tuning depends on component configurations. Guided by these insights, we propose Component Designed Kronecker Adapters (CDKA). We further provide parameter-budget-aware configuration guidelines and a tailored training stabilization strategy for practical deployment. Experiments across various architectures and modalities demonstrate the effectiveness of CDKA. Code is available at https://github.com/rainstonee/CDKA.
Authors: Fabian Fumagalli, Landon Butler, Justin Singh Kang, Kannan Ramchandran, R. Teal Witter
Abstract: The Shapley value is a ubiquitous framework for attribution in machine learning, encompassing feature importance, data valuation, and causal inference. However, its exact computation is generally intractable, necessitating efficient approximation methods. While the most effective and popular estimators leverage the paired sampling heuristic to reduce estimation error, the theoretical mechanism driving this improvement has remained opaque. In this work, we provide an elegant and fundamental justification for paired sampling: we prove that the Shapley value depends exclusively on the odd component of the set function, and that paired sampling orthogonalizes the regression objective to filter out the irrelevant even component. Leveraging this insight, we propose OddSHAP, a novel consistent estimator that performs polynomial regression solely on the odd subspace. By utilizing the Fourier basis to isolate this subspace and employing a proxy model to identify high-impact interactions, OddSHAP overcomes the combinatorial explosion of higher-order approximations. Through an extensive benchmark, we find that OddSHAP achieves state-of-the-art estimation accuracy at larger sampling budgets.
Authors: Quang Truong, Yu Song, Donald Loveland, Mingxuan Ju, Tong Zhao, Neil Shah, Jiliang Tang
Abstract: Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on explicit structural heuristics or memory-intensive node embeddings -- approaches that struggle to generalize or scale to massive graphs. Emerging Graph Transformers (GTs) offer a potential alternative but often incur significant overhead due to complex structural encodings, hindering their applications to large-scale link prediction. We challenge these sophisticated paradigms with PENCIL, an encoder-only plain Transformer that replaces hand-crafted priors with attention over sampled local subgraphs, retaining the scalability and hardware efficiency of standard Transformers. Through experimental and theoretical analysis, we show that PENCIL extracts richer structural signals than GNNs, implicitly generalizing a broad class of heuristics and subgraph-based expressivity. Empirically, PENCIL outperforms heuristic-informed GNNs and is far more parameter-efficient than ID-embedding--based alternatives, while remaining competitive across diverse benchmarks -- even without node features. Our results challenge the prevailing reliance on complex engineering techniques, demonstrating that simple design choices are potentially sufficient to achieve the same capabilities. Our code is publicly available at https://github.com/quang-truong/pencil.
Authors: Wenbo Pan, Zhichao Liu, Xianlong Wang, Haining Yu, Xiaohua Jia
Abstract: Token attribution methods provide intuitive explanations for language model outputs by identifying causally important input tokens. However, as modern LLMs increasingly rely on extended reasoning chains, existing schemes face two critical challenges: (1) efficiency bottleneck, where attributing a target span of M tokens within a context of length N requires O(M*N) operations, making long-context attribution prohibitively slow; and (2) faithfulness drop, where intermediate reasoning tokens absorb attribution mass, preventing importance from propagating back to the original input. To address these, we introduce FlashTrace, an efficient multi-token attribution method that employs span-wise aggregation to compute attribution over multi-token targets in a single pass, while maintaining faithfulness. Moreover, we design a recursive attribution mechanism that traces importance through intermediate reasoning chains back to source inputs. Extensive experiments on long-context retrieval (RULER) and multi-step reasoning (MATH, MorehopQA) tasks demonstrate that FlashTrace achieves over 130x speedup over existing baselines while maintaining superior faithfulness. We further analyze the dynamics of recursive attribution, showing that even a single recursive hop improves faithfulness by tracing importance through the reasoning chain.
Authors: Riccardo Zaccone, Stefanos Laskaridis, Marco Ciccone, Samuel Horv\'ath
Abstract: The growing scale of deep neural networks, encompassing large language models (LLMs) and vision transformers (ViTs), has made training from scratch prohibitively expensive and deployment increasingly costly. These models are often used as computational monoliths with fixed cost, hindering adaptive deployment across different cost budgets.We argue that nested components, ordered by importance, can be extracted from pretrained models and selectively activated within the available computational budget. To this end, our proposed FlexRank method leverages low-rank weight decomposition with nested, importance-based consolidation to extract submodels of increasing capabilities. Our approach enables a ``train-once, deploy-everywhere'' paradigm offering a graceful trade-off between cost and performance without training from scratch for each budget - advancing practical deployment of large models.
Authors: Mathieu Even, Cl\'ement Berenfeld, Linus Bleistein, Tudor Cebere, Julie Josse, Aur\'elien Bellet
Abstract: Membership Inference Attacks (MIAs) aim to distinguish training points (members) from unseen data (non-members), and are widely used to quantify memorization and assess privacy risks. Standard MIA evaluation requires repeated retraining, which is computationally costly for large models. One-run (single training with randomized data inclusion) and zero-run (post hoc evaluation) methods are often used instead, but their statistical validity remains unclear. We address this gap by framing MIA evaluation as a causal inference problem, defining \emph{memorization as the causal effect of including a data point in the training set}. This novel formulation reveals and formalizes key sources of bias in existing protocols: one-run methods suffer from interference between jointly included points, while zero-run evaluations are additionally confounded by distribution shift between member and non-member evaluation data. We derive causal analogues of standard MIA metrics and propose practical estimators for multi-run, one-run, and zero-run regimes with non-asymptotic consistency guarantees. We validate our approach in several settings, including pretrained and fine-tuned LLMs, showing that it enables reliable measurement of MIA performance without retraining and under distribution shift. Overall, our framework provides a principled foundation for privacy evaluation in modern AI systems.
Authors: Francesco De Santis, Gabriele Ciravegna, Giovanni De Felice, Arianna Casanova, Francesco Giannini, Michelangelo Diligenti, Johannes Schneider, Danilo Giordano, Mateo Espinosa Zarlenga, Pietro Barbiero
Abstract: Concept Bottleneck Models (CBMs) promote interpretability by grounding predictions in human-understandable concepts. However, existing CBMs typically constrain their task predictor to a single expression whose functional form is set a priori, limiting both predictive accuracy and adaptability to diverse user needs. We propose Mixture of Concept Bottleneck Experts (M-CBE), a framework that generalizes existing CBMs along two dimensions: the number of expressions, referred to as experts, employed by the task predictor to map concepts to the task, and the functional form each expression takes, thus exposing an underexplored region of this design space. We investigate this region by instantiating two novel models: Linear M-CBE, which learns a finite set of linear expressions, and Symbolic M-CBE, which leverages symbolic regression to discover expert functions from data subject to user-specified operator vocabularies. Empirical evaluation demonstrates that varying the number of expressions and their functional form provides a robust framework for navigating the accuracy-interpretability trade-off.
Authors: Giovanni Luca Marchetti, Daniel Kunin, Adele Myers, Francisco Acosta, Nina Miolane
Abstract: How do neural networks trained over sequences acquire the ability to perform structured operations, such as arithmetic, geometric, and algorithmic computation? To gain insight into this question, we introduce the sequential group composition task. In this task, networks receive a sequence of elements from a finite group encoded in a real vector space and must predict their cumulative product. This task can be order-sensitive and cannot be solved by a linear model. Our analysis isolates the roles of the group structure, encoding statistics, and sequence length in shaping learning. We prove that two-layer networks from vanishing initialization learn this task one irreducible representation of the group at a time in an order determined by the Fourier statistics of the encoding. To perfectly learn the task, these networks require a hidden width exponential in the sequence length $k$. In contrast, we construct deeper architectures that exploit associativity to dramatically improve this scaling: recurrent neural networks can compose elements sequentially in $k$ steps, while multilayer networks can compose adjacent pairs in parallel in $\log k$ layers. Overall, the sequential group composition task offers a tractable window into the mechanics of deep learning.
Authors: Aditya Gorla, Ratish Puduppully
Abstract: Tabular Language Models (TLMs) have been claimed to achieve strong generalization for tabular prediction. We conduct a systematic re-evaluation of Tabula-8B as a representative TLM, utilizing 165 datasets from the UniPredict benchmark. Our investigation reveals three findings. First, binary and categorical classification achieve near-zero median lift over majority-class baselines and strong aggregate performance is driven entirely by quartile classification tasks. Second, top-performing datasets exhibit pervasive contamination, including complete train-test overlap and task-level leakage that evades standard deduplication. Third, instruction-tuning without tabular exposure recovers 92.2% of standard classification performance and on quartile classification, format familiarity closes 71.3% of the gap with the residual attributable to contaminated datasets. These findings suggest claimed generalization likely reflects evaluation artifacts rather than learned tabular reasoning. We conclude with recommendations for strengthening TLM evaluation.
Authors: Kosuke Sugiyama, Masato Uchida
Abstract: This paper presents a novel information-theoretic perspective on generalization in machine learning by framing the learning problem within the context of lossy compression and applying finite blocklength analysis. In our approach, the sampling of training data formally corresponds to an encoding process, and the model construction to a decoding process. By leveraging finite blocklength analysis, we derive lower bounds on sample complexity and generalization error for a fixed randomized learning algorithm and its associated optimal sampling strategy. Our bounds explicitly characterize the degree of overfitting of the learning algorithm and the mismatch between its inductive bias and the task as distinct terms. This separation provides a significant advantage over existing frameworks. Additionally, we decompose the overfitting term to show its theoretical connection to existing metrics found in information-theoretic bounds and stability theory, unifying these perspectives under our proposed framework.
Authors: Kejiang Qian, Amos Storkey, Fengxiang He
Abstract: This paper proposes a suite of rationality measures and associated theory for reinforcement learning agents, a property increasingly critical yet rarely explored. We define an action in deployment to be perfectly rational if it maximises the hidden true value function in the steepest direction. The expected value discrepancy of a policy's actions against their rational counterparts, culminating over the trajectory in deployment, is defined to be expected rational risk; an empirical average version in training is also defined. Their difference, termed as rational risk gap, is decomposed into (1) an extrinsic component caused by environment shifts between training and deployment, and (2) an intrinsic one due to the algorithm's generalisability in a dynamic environment. They are upper bounded by, respectively, (1) the $1$-Wasserstein distance between transition kernels and initial state distributions in training and deployment, and (2) the empirical Rademacher complexity of the value function class. Our theory suggests hypotheses on the benefits from regularisers (including layer normalisation, $\ell_2$ regularisation, and weight normalisation) and domain randomisation, as well as the harm from environment shifts. Experiments are in full agreement with these hypotheses. The code is available at https://github.com/EVIEHub/Rationality.
Authors: Guri Zab\"ergja, Rafiq Kamel, Arlind Kadra, Christian M. M. Frey, Josif Grabocka
Abstract: The long-standing dominance of gradient-boosted decision trees for tabular data has recently been challenged by in-context learning tabular foundation models. In-context learning methods fit and predict in one forward pass without parameter updates by leveraging the training data as context for predicting on query test points. While recent tabular foundation models achieve state-of-the-art performance, their transformer architecture based on the attention mechanism has quadratic complexity regarding dataset size, which in turn increases the overhead on training and inference time, and limits the capacity of the models to handle large-scale datasets. In this work, we propose TACO, an end-to-end tabular compression model that compresses the training dataset in a latent space. We test our method on the TabArena benchmark, where our proposed method is up to 94x faster in inference time, while consuming up to 97\% less memory compared to the state-of-the-art tabular transformer architecture, all while retaining performance without significant degradation. Lastly, our method not only scales better with increased dataset sizes, but it also achieves better performance compared to other baselines.
Authors: Hao Qiu, Andrew Jacobsen, Emmanuel Esposito, Mengxiao Zhang
Abstract: In this paper, we study dynamic regret in unconstrained online convex optimization (OCO) with movement costs. Specifically, we generalize the standard setting by allowing the movement cost coefficients $\lambda_t$ to vary arbitrarily over time. Our main contribution is a novel algorithm that establishes the first comparator-adaptive dynamic regret bound for this setting, guaranteeing $\widetilde{\mathcal{O}}(\sqrt{(M^2+MP_T)(T+\sum_t \lambda_t)})$ regret, where $P_T$ is the path length of the comparator sequence over $T$ rounds and $M$ is the maximal comparator norm. Our result recovers the optimal adaptive rates for both static and dynamic regret in OCO as the special case where $\lambda_t=0$ for all rounds. To demonstrate the versatility of our results, we consider two applications: OCO with delayed feedback and OCO with time-varying memory. We show that both problems can be translated into time-varying movement costs, establishing a novel reduction specifically for the delayed feedback setting that is of independent interest. A crucial observation is that the first-order dependence on movement costs in our regret bound plays a key role in enabling optimal comparator-adaptive dynamic regret guarantees in both settings.
Authors: Etam Benger, Katrina Ligett
Abstract: Binary classification based on predicted probabilities (scores) is a fundamental task in supervised machine learning. While thresholding scores is Bayes-optimal in the unconstrained setting, using a single threshold generally violates statistical group fairness constraints. Under independence (statistical parity) and separation (equalized odds), such thresholding suffices when the scores already satisfy the corresponding criterion. However, this does not extend to sufficiency: even perfectly group-calibrated scores -- including true class probabilities -- violate predictive parity after thresholding. In this work, we present an exact solution for optimal binary (randomized) classification under sufficiency, assuming finite sets of group-calibrated scores. We provide a geometric characterization of the feasible pairs of positive predictive value (PPV) and false omission rate (FOR) achievable by such classifiers, and use it to derive a simple post-processing algorithm that attains the optimal classifier using only group-calibrated scores and group membership. Finally, since sufficiency and separation are generally incompatible, we identify the classifier that minimizes deviation from separation subject to sufficiency, and show that it can also be obtained by our algorithm, often achieving performance comparable to the optimum.
Authors: Yanlin Qi, Xinhang Chen, Huiqiang Jiang, Qitong Wang, Botao Peng, Themis Palpanas
Abstract: KV-cache retrieval is essential for long-context LLM inference, yet existing methods struggle with distribution drift and high latency at scale. We introduce ParisKV, a drift-robust, GPU-native KV-cache retrieval framework based on collision-based candidate selection, followed by a quantized inner-product reranking estimator. For million-token contexts, ParisKV supports CPU-offloaded KV caches via Unified Virtual Addressing (UVA), enabling on-demand top-$k$ fetching with minimal overhead. ParisKV matches or outperforms full attention quality on long-input and long-generation benchmarks. It achieves state-of-the-art long-context decoding efficiency: it matches or exceeds full attention speed even at batch size 1 for long contexts, delivers up to 2.8$\times$ higher throughput within full attention's runnable range, and scales to million-token contexts where full attention runs out of memory. At million-token scale, ParisKV reduces decode latency by 17$\times$ and 44$\times$ compared to MagicPIG and PQCache, respectively, two state-of-the-art KV-cache Top-$k$ retrieval baselines, code is available at https://github.com/amy-77/ParisKV/tree/main.
Authors: Ziyun Li, Huancheng Hu, Soon Hoe Lim, Xuyu Li, Fei Gao, Enmao Diao, Zezhen Ding, Michalis Vazirgiannis, Henrik Bostrom
Abstract: Flow-based generative models can be viewed through a physics lens: sampling transports a particle from noise to data by integrating a learned velocity field, and each sample corresponds to a trajectory with its own dynamical effort. Motivated by classical mechanics, we introduce Kinetic Path Energy (KPE), an action-like, per-sample diagnostic that measures the accumulated kinetic effort along an ordinary differential equation (ODE) trajectory. Empirically, KPE exhibits two robust correspondences: {i} higher KPE predicts stronger semantic fidelity; {ii} high-KPE trajectories land in sparse representation regions. We further provide theoretical guarantees linking trajectory energy to data sparsity. Paradoxically, this correlation is non-monotonic. At sufficiently high energy, generation can degenerate into memorization. Leveraging the closed-form formula of empirical flow matching, we show that extreme energies drive trajectories toward near-copies of training examples. This yields a Goldilocks principle and motivates Kinetic Trajectory Shaping (KTS), a training-free two-phase inference strategy that boosts early motion and enforces a late-time soft landing, reducing memorization and improving generation quality across benchmark tasks.
Authors: Jinwoo Kim, S\'ekou-Oumar Kaba, Jiyun Park, Seunghoon Hong, Siamak Ravanbakhsh
Abstract: We study the problem of transformation inversion on general Lie groups: a datum is transformed by an unknown group element, and the goal is to recover an inverse transformation that maps it back to the original data distribution. Such unknown transformations arise widely in machine learning and scientific modeling, where they can significantly distort observations. We take a probabilistic view and model the posterior over transformations as a Boltzmann distribution defined by an energy function on the data space. To sample from this posterior, we introduce a diffusion process on Lie groups that keeps all updates on-manifold and only requires computations in the associated Lie algebra. Our method, Transformation-Inverting Energy Diffusion (TIED), relies on a new trivialized target-score identity that enables efficient score-based sampling of the transformation posterior. As a key application, we focus on test-time equivariance, where the objective is to improve the robustness of pretrained neural networks to input transformations. Experiments on image homographies and PDE symmetries demonstrate that TIED can restore transformed inputs to the training distribution at test time, showing improved performance over strong canonicalization and sampling baselines. Code is available at https://github.com/jw9730/tied.
Authors: Paul Saegert, Ullrich K\"othe
Abstract: Symbolic regression (SR) aims to discover interpretable analytical expressions that accurately describe observed data. Amortized SR promises to be much more efficient than the predominant genetic programming SR methods, but currently struggles to scale to realistic scientific complexity. We find that a key obstacle is the lack of a fast reduction of equivalent expressions to a concise normalized form. Amortized SR has addressed this with general-purpose Computer Algebra Systems (CAS) like SymPy, but the high computational cost severely limits training and inference speed. We propose SimpliPy, a rule-based simplification engine achieving a 100-fold speed-up over SymPy at comparable quality. This enables substantial improvements in amortized SR, including scalability to much larger training sets, more efficient use of the per-expression token budget, and systematic training set decontamination with respect to equivalent test expressions. We demonstrate these advantages in our Flash-ANSR framework, which achieves much better accuracy than amortized baselines (NeSymReS, E2E) on the FastSRB benchmark. Moreover, it performs on par with state-of-the-art direct optimization (PySR) while recovering more concise rather than more complex expressions with increasing inference budget.
Authors: Raghu Arghal, Fade Chen, Niall Dalton, Evgenii Kortukov, Calum McNamara, Angelos Nalmpantis, Moksh Nirvaan, Gabriele Sarti, Mario Giulianelli
Abstract: Understanding an agent's goals helps explain and predict its behaviour, yet there is no established methodology for reliably attributing goals to agentic systems. We propose a framework for evaluating goal-directedness that integrates behavioural evaluation with interpretability-based analyses of models' internal representations. As a case study, we examine an LLM agent navigating a 2D grid world towards a goal state. Behaviourally, we evaluate the agent against optimal policies across varying grid sizes, obstacle densities, and goal structures, finding that performance scales with task difficulty while remaining robust to difficulty-preserving transformations and multi-goal structures. We then use probing methods to decode internal representations of the environment and multi-step action plans. We find that the LLM agent non-linearly encodes a coarse spatial map, preserving approximate task-relevant cues about its position and the goal location; that its actions are broadly consistent with these internal representations; and that reasoning reorganises them, shifting from spatial cues towards immediate action selection. Our findings support the view that introspective examination is required beyond behavioural evaluations to characterise how agents represent and pursue their objectives.
Authors: Iv\'an Arcuschin, David Chanin, Adri\`a Garriga-Alonso, Oana-Maria Camburu
Abstract: Large Language Models (LLMs) often provide chain-of-thought (CoT) reasoning traces that appear plausible, but may hide internal biases. We call these unverbalized biases. Monitoring models via their stated reasoning is therefore unreliable, and existing bias evaluations typically require predefined categories and hand-crafted datasets. In this work, we introduce a fully automated, black-box pipeline for detecting task-specific unverbalized biases. Given a task dataset, the pipeline uses LLM autoraters to generate candidate bias concepts. It then tests each concept on progressively larger input samples by generating positive and negative variations, and applies statistical techniques for multiple testing and early stopping. A concept is flagged as an unverbalized bias if it yields statistically significant performance differences while not being cited as justification in the model's CoTs. We evaluate our pipeline across seven LLMs on three decision tasks (hiring, loan approval, and university admissions). Our technique automatically discovers previously unknown biases in these models (e.g., Spanish fluency, English proficiency, writing formality). In the same run, the pipeline also validates biases that were manually identified by prior work (gender, race, religion, ethnicity). More broadly, our proposed approach provides a practical, scalable path to automatic, more efficient, and broader task-specific unverbalized bias discovery.
Authors: Rattana Pukdee, Maria-Florina Balcan, Pradeep Ravikumar
Abstract: Pairwise preference learning is central to machine learning, with recent applications in aligning language models with human preferences. A typical dataset consists of triplets $(x, y^+, y^-)$, where response $y^+$ is preferred over response $y^-$ for context $x$. The Bradley--Terry (BT) model is the predominant approach, modeling preference probabilities as a function of latent score differences. Standard practice assumes data follows this model and learns the latent scores accordingly. However, real data may violate this assumption, and it remains unclear what BT learning recovers in such cases. Starting from triplet comparison data, we formalize the preference information it encodes through the conditional preference distribution (CPRD). We give precise conditions for when BT is appropriate for modeling the CPRD, and identify factors governing sample efficiency -- namely, margin and connectivity. Together, these results offer a data-centric foundation for understanding what preference learning actually recovers.
Authors: Timoth\'ee Chauvin, Cl\'ement Lalanne, Erwan Le Merrer, Jean-Michel Loubes, Fran\c{c}ois Ta\"iani, Gilles Tredan
Abstract: Remote change detection in LLMs is a difficult problem. Existing methods are either too expensive for deployment at scale, or require initial white-box access to model weights or grey-box access to log probabilities. We aim to achieve both low cost and strict black-box operation, observing only output tokens. Our approach hinges on specific inputs we call Border Inputs, for which there exists more than one output top token. From a statistical perspective, optimal change detection depends on the model's Jacobian and the Fisher information of the output distribution. Analyzing these quantities in low-temperature regimes shows that border inputs enable powerful change detection tests. Building on this insight, we propose the Black-Box Border Input Tracking (B3IT) scheme. Extensive in-vivo and in-vitro experiments show that border inputs are easily found for non-reasoning tested endpoints, and achieve performance on par with the best available grey-box approaches. B3IT reduces costs by $30\times$ compared to existing methods, while operating in a strict black-box setting.
Authors: Tessa Han, Sebastian Bordt, Hanlin Zhang, Sham Kakade
Abstract: Large language models are typically trained in two broad phases: pretraining to produce a base model, followed by further training to improve downstream performance. However, hyperparameter optimization and scaling laws are studied primarily from the perspective of the base model's validation loss, overlooking a crucial model property: downstream adaptability. In this work, we study pretraining from the perspective of model plasticity, that is, the ability of the base model to successfully adapt to downstream tasks upon additional training. We focus on the role of weight decay, a key regularization parameter during pretraining, and show through systematic experiments that larger weight decay increases the plasticity of the pretrained model, resulting in greater performance gains downstream after fine-tuning. This effect can lead to counterintuitive trade-offs where base models that perform worse after pretraining can perform better after further training. Further investigation of weight decay's mechanistic effects on model behavior reveals that it encourages linearly separable representations, regularizes attention matrices, and reduces overfitting on the training data. Together, these findings highlight the importance of pretrained model plasticity, the limits of using cross-entropy loss as the sole metric for hyperparameter optimization, and the multifaceted role that a single optimization hyperparameter plays in shaping model behavior.
Authors: Xin Ju (Hadrian), Nok Hei (Hadrian), Fung, Yuyan Zhang, Carl Jacquemyn, Matthew Jackson, Randolph Settgast, Sally M. Benson, Gege Wen
Abstract: The Earth's subsurface is a cornerstone of modern society, providing essential energy resources like hydrocarbons, geothermal, and minerals while serving as the primary reservoir for $CO_2$ sequestration. However, full physics numerical simulations of these systems are notoriously computationally expensive due to geological heterogeneity, high resolution requirements, and the tight coupling of physical processes with distinct propagation time scales. Here we propose the $\textbf{Adaptive Physics Transformer}$ (APT), a geometry-, mesh-, and physics-agnostic neural operator that explicitly addresses these challenges. APT fuses a graph-based encoder to extract high-resolution local heterogeneous features with a global attention mechanism to resolve long-range physical impacts. Our results demonstrate that APT outperforms state-of-the-art architectures in subsurface tasks across both regular and irregular grids with robust super-resolution capabilities. Notably, APT is the first architecture that learns directly from HR-adaptive mesh refinement simulations. We also demonstrate APT's favorable scaling behavior and cross-dataset learning capability, positioning it as a robust and scalable backbone for large-scale subsurface foundation model development.
Authors: Panagiotis Antoniadis, Beatrice Pavesi, Simon Olsson, Ole Winther
Abstract: Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals such as structural embeddings, temperature, and large-language-model-derived embeddings on model performance.
Authors: Lilian Marey, Mathilde Perez, Tiphaine Viard, Charlotte Laclau
Abstract: Graph link prediction (LP) plays a critical role in socially impactful applications such as job recommendation and friendship formation, making fairness a critical concern in this task. While many fairness-aware methods manipulate graph structures to mitigate prediction disparities, the topological biases inherent to social graphs remain poorly understood and are consistently conflated with homophily alone. In this work, we study the relationship between structural biases and fairness outcomes in LP. To this end, we formalize a taxonomy of topological bias measures and introduce a graph generation method producing a diverse corpus of synthetic graphs with controlled structural properties. Using this corpus, we show empirically that fairness outcomes are strongly correlated with graph topology, and that current fairness-aware methods remain sensitive to structural biases beyond homophily. These findings highlight the need for structurally grounded evaluations in fair graph learning.
Authors: Juneyoung Park, Yuri Hong, Seongwan Kim, Jaeho Lee
Abstract: On-device fine-tuning enables privacy-preserving personalization of large language models, but mobile devices impose severe memory constraints, typically 6--12GB shared across all workloads. Existing approaches force a trade-off between exact gradients with high memory (MeBP) and low memory with noisy estimates (MeZO). We propose Memory-efficient Structured Backpropagation (MeSP), which bridges this gap by manually deriving backward passes that exploit LoRA's low-rank structure. Our key insight is that the intermediate projection $h = xA$ can be recomputed during backward at minimal cost since rank $r \ll d_{in}$, eliminating the need to store it. MeSP achieves 49\% average memory reduction compared to MeBP on Qwen2.5 models (0.5B--3B) while computing mathematically identical gradients. Our analysis also reveals that MeZO's gradient estimates show near-zero correlation with true gradients (cosine similarity $\approx$0.001), explaining its slow convergence. MeSP reduces peak memory from 361MB to 136MB for Qwen2.5-0.5B, enabling fine-tuning scenarios previously infeasible on memory-constrained devices.
Authors: Kiho Park, Todd Nief, Yo Joong Choe, Victor Veitch
Abstract: This paper concerns the question of how AI systems encode semantic structure into the geometric structure of their representation spaces. The motivating observation is that the natural geometry of these representation spaces should reflect the way models use representations to produce behavior. We focus on the important special case of representations that define softmax distributions. In this case, we argue that the natural geometry is information geometry. Our focus is on the role of information geometry on semantic encoding and the linear representation hypothesis. As an illustrative application, we develop "dual steering", a method for robustly steering representations to exhibit a particular concept using linear probes. We prove that dual steering optimally modifies the target concept while minimizing changes to off-target concepts. Empirically, we find that dual steering enhances the controllability and stability of concept manipulation.
Authors: Erkan Turan, Gaspard Abel, Maysam Behmanesh, Emery Pierson, Maks Ovsjanikov
Abstract: Graph Neural Networks (GNNs) learn node representations through iterative network-based message-passing. While powerful, deep GNNs suffer from oversmoothing, where node features converge to a homogeneous, non-informative state. We re-frame this problem of representational collapse from a \emph{bifurcation theory} perspective, characterizing oversmoothing as convergence to a stable ``homogeneous fixed point.'' Our central contribution is the theoretical discovery that this undesired stability can be broken by replacing standard monotone activations (e.g., ReLU) with a class of functions. Using Lyapunov-Schmidt reduction, we analytically prove that this substitution induces a bifurcation that destabilizes the homogeneous state and creates a new pair of stable, non-homogeneous \emph{patterns} that provably resist oversmoothing. Our theory predicts a precise, nontrivial scaling law for the amplitude of these emergent patterns, which we quantitatively validate in experiments. Finally, we demonstrate the practical utility of our theory by deriving a closed-form, bifurcation-aware initialization and showing its utility in real benchmark experiments.
Authors: Jiangweizhi Peng, Yuanxin Liu, Ruida Zhou, Charles Fleming, Zhaoran Wang, Alfredo Garcia, Mingyi Hong
Abstract: Training LLMs as interactive agents for multi-turn decision-making remains challenging, particularly in long-horizon tasks with sparse and delayed rewards, where agents must execute extended sequences of actions before receiving meaningful feedback. Most existing reinforcement learning (RL) approaches model LLM agents as flat policies operating at a single time scale, selecting one action at each turn. In sparse-reward settings, such flat policies must propagate credit across the entire trajectory without explicit temporal abstraction, which often leads to unstable optimization and inefficient credit assignment. We propose HiPER, a novel Hierarchical Plan-Execute RL framework that explicitly separates high-level planning from low-level execution. HiPER factorizes the policy into a high-level planner that proposes subgoals and a low-level executor that carries them out over multiple action steps. To align optimization with this structure, we introduce a key technique called hierarchical advantage estimation (HAE), which carefully assigns credit at both the planning and execution levels. By aggregating returns over the execution of each subgoal and coordinating updates across the two levels, HAE provides an unbiased gradient estimator and provably reduces variance compared to flat generalized advantage estimation. Empirically, HiPER achieves state-of-the-art performance on challenging interactive benchmarks, reaching 97.4\% success on ALFWorld and 83.3\% on WebShop with Qwen2.5-7B-Instruct (+6.6\% and +8.3\% over the best prior method), with especially large gains on long-horizon tasks requiring multiple dependent subtasks. These results highlight the importance of explicit hierarchical decomposition for scalable RL training of multi-turn LLM agents.
Authors: Zachary Berger, Daniel Prakah-Asante, John Guttag, Collin M. Stultz
Abstract: This position paper argues that current benchmarking practice in 12-lead ECG representation learning must be fixed to ensure progress is reliable and aligned with clinically meaningful objectives. The field has largely converged on three public multi-label benchmarks (PTB-XL, CPSC2018, CSN) dominated by arrhythmia and waveform-morphology labels, even though the ECG is known to encode substantially broader clinical information. We argue that downstream evaluation should expand to include an assessment of structural heart disease and patient-level forecasting, in addition to other evolving ECG-related endpoints, as relevant clinical targets. Next, we outline evaluation best practices for multi-label, imbalanced settings, and show that when they are applied, the literature's current conclusion about which representations perform best is altered. Furthermore, we demonstrate the surprising result that a randomly initialized encoder with linear evaluation matches state-of-the-art pre-training on many tasks. This motivates the use of a random encoder as a reasonable baseline model. We substantiate our observations with an empirical evaluation of five representative ECG pre-training approaches across six evaluation settings: the three standard benchmarks, a structural disease dataset, hemodynamic inference, and patient forecasting.
Authors: M. Reza Ebrahimi, Micha\"el Defferrard, Sunny Panchal, Roland Memisevic
Abstract: Despite the remarkable practical success of transformer-based language models, recent work has raised concerns about their ability to perform state tracking. In particular, a growing body of literature has shown this limitation primarily through failures in out-of-distribution (OOD) generalization, such as length extrapolation. In this work, we shift attention to the in-distribution implications of these limitations. We conduct a large-scale experimental study of the data efficiency of transformers and recurrent neural networks (RNNs) across multiple supervision regimes. We find that the amount of training data required by transformers grows much more rapidly with state-space size and sequence length than for RNNs. Furthermore, we analyze the extent to which learned state-tracking mechanisms are shared across different sequence lengths. We show that transformers exhibit negligible or even detrimental weight sharing across lengths, indicating that they learn length-specific solutions in isolation. In contrast, recurrent models exhibit effective amortized learning by sharing weights across lengths, allowing data from one sequence length to improve performance on others. Together, these results demonstrate that state tracking remains a fundamental challenge for transformers, even when training and evaluation distributions match.
Authors: Samuel Fern\'andez-Mendui\~na, Eduardo Pavez, Antonio Ortega
Abstract: Despite their theoretical advantages, spectral methods based on the graph Fourier transform (GFT) are seldom used in graph neural networks (GNNs) due to the cost of computing the eigenbasis and the lack of vertex-domain locality in the resulting representations. As a result, most GNNs rely on local approximations such as polynomial Laplacian filters or message passing, which limit their ability to model long-range dependencies. In this paper, we introduce an exact factorization of the GFT into operators acting on subgraphs, which are then combined via a sequence of Cauchy matrices. Building on this factorization, we propose a new class of spectral GNNs, termed L2G-Net (Local to Global Net). Unlike existing spectral methods, which are either fully global (when using the GFT) or local (when using polynomial filters), L2G-Net operates by processing the spectral representations of subgraphs and then combining them via structured matrices. Our algorithm avoids full eigendecompositions, exploiting graph topology to construct the factorization with quadratic complexity in the number of nodes, scaled by the maximum cut size between subgraphs. Experiments stressing long-range dependencies on large graphs show that L2G-Net scales to regimes out of reach for the standard GFT, and is competitive with state-of-the-art methods with orders of magnitude fewer learnable parameters.
Authors: Jack Goffinet, Casey Hanks, David E. Carlson
Abstract: Representing the past in a compressed, efficient, and informative manner is a central problem for systems trained on sequential data. The HiPPO framework, originally proposed by Gu & Dao et al., provides a principled approach to sequential compression by projecting signals onto orthogonal polynomial (OP) bases via structured linear ordinary differential equations. Subsequent works have embedded these dynamics in state space models (SSMs), where HiPPO structure serves as an initialization. Nonlinear successors of these SSM methods such as Mamba are state-of-the-art for many tasks with long-range dependencies, but the mechanisms by which they represent and prioritize history remain largely implicit. In this work, we revisit the HiPPO framework with the goal of making these mechanisms explicit. We show how polynomial representations of history can be extended to support capabilities of modern SSMs such as adaptive memory allocation and associative memory, while retaining direct interpretability in the OP basis. We introduce a unified framework comprising five such extensions, which we collectively refer to as a "HiPPO zoo." Each extension exposes a specific modeling capability through an explicit, interpretable modification of the HiPPO framework. The resulting models adapt their memory online and train in streaming settings with efficient updates. We illustrate the behaviors and modeling advantages of these extensions through a range of synthetic sequence modeling tasks, demonstrating that capabilities typically associated with modern SSMs can be realized through explicit, interpretable polynomial memory structures.
Authors: Hrishikesh Viswanath, Juanwu Lu, S. Talha Bukhari, Mihir Chauhan, Damon Conover, Ziran Wang, Aniket Bera
Abstract: Offline goal-conditioned reinforcement learning (GCRL) learns goal-reaching behaviors from static datasets, but accurate value estimation remains challenging under limited state-action coverage. Existing physics-informed approaches address this by imposing pointwise distance-like geometric constraints derived from Hamilton--Jacobi--Bellman (HJB) optimality principles, often through first-order partial differential equations such as the Eikonal equation. However, enforcing local consistency through explicit differential structure can become unstable in complex, high-dimensional environments. Our key insight is to instead reinterpret distance-like constraints as an expectation over a local spatial measure. By aggregating constraints over this measure rather than evaluating them pointwise, the objective acts as a spatial mollifier, inducing distance-like value geometry without requiring expensive differential operators. We refer to this as Mollified Value Learning (MVL). Experiments across navigation and high-dimensional robotic manipulation tasks show that MVL learns structured, value representations, improving goal-reaching performance, when used with implicit value representation learning methods. Open-source codes are available at https://github.com/HrishikeshVish/MVL.
Authors: Zhi Hong, Qian Zhang, Jiahang Sun, Zhiwei Shang, Mingze Kong, Xiangyi Wang, Yao Shu, Zhongxiang Dai
Abstract: Large Language Models (LLMs) have achieved great success in many real-world applications, especially the one serving as the cognitive backbone of Multi-Agent Systems (MAS) to orchestrate complex workflows in practice. Since many deployment scenarios preclude MAS workflow modifications and its performance is highly sensitive to the input prompts, prompt optimization emerges as a more natural approach to improve its performance. However, real-world prompt optimization for MAS is impeded by three key challenges: (1) the need of sample efficiency due to prohibitive evaluation costs, (2) topology-induced coupling among prompts, and (3) the combinatorial explosion of the search space. To address these challenges, we introduce MASPOB (Multi-Agent System Prompt Optimization via Bandits), a novel sample-efficient framework based on bandits. By leveraging Upper Confidence Bound (UCB) to quantify uncertainty, the bandit framework balances exploration and exploitation, maximizing gains within a strictly limited budget. To handle topology-induced coupling, MASPOB integrates Graph Neural Networks (GNNs) to capture structural priors, learning topology-aware representations of prompt semantics. Furthermore, it employs coordinate ascent to decompose the optimization into univariate sub-problems, reducing search complexity from exponential to linear. Extensive experiments across diverse benchmarks demonstrate that MASPOB achieves state-of-the-art performance, consistently outperforming existing baselines.
Authors: Dongheon Lee, Seokju Yun, Jaegyun Im, Youngmin Ro
Abstract: Recent Super-Resolution~(SR) methods mainly adopt Transformers for their strong long-range modeling capability and exceptional representational capacity. However, most SR Transformers rely heavily on relative positional bias~(RPB), which prevents them from leveraging hardware-efficient attention kernels such as FlashAttention. This limitation imposes a prohibitive computational burden during both training and inference, severely restricting attempts to scale SR Transformers by enlarging the training patch size or the self-attention window. Consequently, unlike other domains that actively exploit the inherent scalability of Transformers, SR Transformers remain heavily focused on effectively utilizing limited receptive fields. In this paper, we propose Rank-factorized Implicit Neural Bias~(RIB), an alternative to RPB that enables FlashAttention in SR Transformers. Specifically, RIB approximates positional bias using low-rank implicit neural representations and concatenates them with pixel content tokens in a channel-wise manner, turning the element-wise bias addition in attention score computation into a dot-product operation. Further, we introduce a convolutional local attention and a cyclic window strategy to fully leverage the advantages of long-range interactions enabled by RIB and FlashAttention. We enlarge the window size up to \textbf{96$\times$96} while jointly scaling the training patch size and the dataset size, maximizing the benefits of Transformers in the SR task. As a result, our network achieves \textbf{35.63\,dB PSNR} on Urban100$\times$2, while reducing training and inference time by \textbf{2.1$\times$} and \textbf{2.9$\times$}, respectively, compared to the RPB-based SR Transformer~(PFT).
Authors: Andrzej Cichocki, Piergiulio Tempesta
Abstract: We introduce a comprehensive theoretical and algorithmic framework that bridges formal group theory and group entropies with modern machine learning, paving the way for an infinite, flexible family of Mirror Descent (MD) optimization algorithms. Our approach exploits the rich structure of group entropies, which are generalized entropic functionals governed by group composition laws, encompassing and significantly extending all trace-form entropies such as the Shannon, Tsallis, and Kaniadakis families. By leveraging group-theoretical mirror maps (or link functions) in MD, expressed via multi-parametric generalized logarithms and their inverses (group exponentials), we achieve highly flexible and adaptable MD updates that can be tailored to diverse data geometries and statistical distributions. To this end, we introduce the notion of \textit{mirror duality}, which allows us to seamlessly switch or interchange group-theoretical link functions with their inverses, subject to specific learning rate constraints. By tuning or learning the hyperparameters of the group logarithms enables us to adapt the model to the statistical properties of the training distribution, while simultaneously ensuring desirable convergence characteristics via fine-tuning. This generality not only provides greater flexibility and improved convergence properties, but also opens new perspectives for applications in machine learning and deep learning by expanding the design of regularizers and natural gradient algorithms. We extensively evaluate the validity, robustness, and performance of the proposed updates on large-scale, simplex-constrained quadratic programming problems.
Authors: Peihao Wang, Shan Yang, Xijun Wang, Tesi Xiao, Xin Liu, Changlong Yu, Yu Lou, Pan Li, Zhangyang Wang, Ming Lin, Ren\'e Vidal
Abstract: Associative memory has long underpinned the design of sequential models. Beyond recall, humans reason by projecting future states and selecting goal-directed actions, a capability that modern language models increasingly require but do not natively encode. While prior work uses reinforcement learning or test-time training, planning remains external to the model architecture. We formulate reasoning as optimal control and introduce the Test-Time Control (TTC) layer, which performs finite-horizon LQR planning over latent states at inference time, represents a value function within neural architectures, and leverages it as the nested objective to enable planning before prediction. To ensure scalability, we derive a hardware-efficient LQR solver based on a symplectic formulation and implement it as a fused CUDA kernel, enabling parallel execution with minimal overhead. Integrated as an adapter into pretrained LLMs, TTC layers improve mathematical reasoning performance by up to +27.8% on MATH-500 and 2-3x Pass@8 improvements on AMC and AIME, demonstrating that embedding optimal control as an architectural component provides an effective and scalable mechanism for reasoning beyond test-time training.
Authors: Albus Yizhuo Li, Matthew Wicker
Abstract: Foundation models are increasingly being deployed in contexts where understanding the uncertainty of their outputs is critical to ensuring responsible deployment. While Bayesian methods offer a principled approach to uncertainty quantification, their computational overhead renders their use impractical for training or inference at foundation model scale. State-of-the-art models achieve parameter counts in the trillions through carefully engineered sparsity including Mixture-of-Experts (MoE) layers. In this work, we demonstrate calibrated uncertainty at scale by introducing Variational Mixture-of-Experts Routing (VMoER), a structured Bayesian approach for modelling uncertainty in MoE layers. VMoER confines Bayesian inference to the expert-selection stage which is typically done by a deterministic routing network. We instantiate VMoER using two inference strategies: amortised variational inference over routing logits and inferring a temperature parameter for stochastic expert selection. Across fine-tuning tested foundation models, VMoER improves routing stability under noise by 38\%, reduces calibration error by 94\%, and increases out-of-distribution AUROC by 12\%, while incurring less than 1\% additional FLOPs. These results suggest VMoER offers a scalable path toward robust and uncertainty-aware foundation models.
Authors: Erkan Turan, Nicolas Dufour, Maks Ovsjanikov
Abstract: Generative Modeling via Drifting~\citep{deng2026drifting} has recently achieved state-of-the-art one-step image generation through a kernel-based drift operator, yet its success is largely empirical and its theoretical foundations remain poorly understood. We observe that \emph{under a Gaussian kernel, the drift operator is exactly a score difference on smoothed distributions}. This answers three questions left open in the original work: (1) whether a vanishing drift guarantees equality of distributions ($V_{p,q}=0\Rightarrow p=q$), (2) how to choose between kernels, and (3) why the stop-gradient operator is indispensable for stable training. Our observations position drifting within the score-matching family. By linearizing the McKean-Vlasov dynamics and probing them in Fourier space, we reveal frequency-dependent convergence timescales comparable to \emph{Landau damping} in plasma kinetic theory: the Gaussian kernel suffers an exponential high-frequency bottleneck, potentially explaining the empirical preference for the Laplacian kernel. This suggests a fix: an exponential bandwidth annealing schedule $\sigma(t)=\sigma_0 e^{-rt}$ that reduces convergence time from $\exp(O(K_{\max}^2))$ to $O(\log K_{\max})$. Finally, by formalizing drifting as a Wasserstein gradient flow of the smoothed KL divergence, we prove that the stop-gradient operator is not a heuristic but is derived from the frozen-field discretization mandated by the Jordan-Kinderlehrer-Otto (JKO) scheme, and removing it severs training from any gradient-flow guarantee. This variational perspective further provides a general template for constructing novel drift operators, which we demonstrate with a Sinkhorn divergence drift. We validate our analysis on toy datasets and scale it up to ImageNet.
Authors: Qijun Liao, Jue Yang, Yiting Kang, Xinxin Zhao, Yong Zhang, Mingan Zhao
Abstract: Deep reinforcement learning for continuous control often suffers from high variance, low energy efficiency, and poor generalization under distribution shift, as purely data-driven exploration ignores available physical structure. This paper proposes Hybrid Energy-Aware Reward Shaping (H-EARS), which encodes dominant energy terms -- assumed known a priori -- directly as reward potentials at O(n) per-step computation. H-EARS decomposes the shaping potential into task-oriented and energy-based components, supplemented by an action regularization term that deliberately modifies the optimization objective to enforce energy-efficient control. A complete theoretical foundation is established: functional independence of shaping and regularization, energy-based gradient enrichment under positive-definite Hessian conditions, convergence guarantees under function approximation, and approximate potential error bounds. Across four continuous control benchmarks and four baseline algorithms, H-EARS achieves consistent gains in convergence speed, policy stability, and final performance. High-fidelity vehicle simulations validate applicability in safety-critical settings under extreme road conditions.
Authors: Kadir-Kaan \"Ozer, Ren\'e Ebeling, Markus Enzweiler
Abstract: Multivariate time series anomalies often manifest as shifts in cross-channel dependencies rather than simple amplitude excursions. In autonomous driving, for instance, a steering command might be internally consistent but decouple from the resulting lateral acceleration. Residual-based detectors can miss such anomalies when flexible sequence models still reconstruct signals plausibly despite altered coordination. We introduce AxonAD, an unsupervised detector that treats multi-head attention query evolution as a short horizon predictable process. A gradient-updated reconstruction pathway is coupled with a history-only predictor that forecasts future query vectors from past context. This is trained via a masked predictor-target objective against an exponential moving average (EMA) target encoder. At inference, reconstruction error is combined with a tail-aggregated query mismatch score, which measures cosine deviation between predicted and target queries on recent timesteps. This dual approach provides sensitivity to structural dependency shifts while retaining amplitude-level detection. On proprietary in-vehicle telemetry with interval annotations and on the TSB-AD multi-variate suite (17 datasets, 180 series) with threshold-free and range-aware metrics, AxonAD improves ranking quality and temporal localization over strong baselines. Ablations confirm that query prediction and combined scoring are the primary drivers of the observed gains. Code is available at the URL https://github.com/iis-esslingen/AxonAD.
Authors: Mingkun Xia, Weiwei Zhang
Abstract: Symbolic regression is a powerful tool for knowledge discovery, enabling the extraction of interpretable mathematical expressions directly from data. However, conventional symbolic discovery typically follows an end-to-end, "one-step" process, which often generates lengthy and physically meaningless expressions when dealing with real physical systems, leading to poor model generalization. This limitation fundamentally stems from its deviation from the basic path of scientific discovery: physical laws do not exist in a single form but follow a hierarchical and progressive pattern from simplicity to complexity. Motivated by this principle, we propose Chain of Symbolic Regression (CoSR), a novel framework that models the discovery of physical laws as a chain of symbolic knowledge. This knowledge chain is formed by progressively combining multiple knowledge units with clear physical meanings along a specific logic, ultimately enabling the precise discovery of the underlying physical laws from data. CoSR fully recapitulates the progressive discovery path from Kepler's third law to the law of universal gravitation in classical mechanics, and is applied to three types of problems: turbulent Rayleigh-Benard convection, viscous flows in a circular pipe, and laser-metal interaction, demonstrating its ability to improve classical scaling theories. Finally, CoSR showcases its capability to discover new knowledge in the complex engineering problem of aerodynamic coefficients scaling for different aircraft.
Authors: Karen Sargsyan
Abstract: Neural networks often learn the parts of a task but fail on novel combinations of those parts. We argue that this failure is architectural: a decoder generalizes compositionally only when it respects the algebraic laws of the task, i.e. when it descends from freely generated sequences to the quotient determined by those laws. We make this principle constructive by compiling Higher Inductive Type (HIT) specifications into neural architectures. Basepoints, path constructors, and 2-cells are mapped to base constraints, generator networks, structural concatenation, and learned homotopies. The resulting transport decoders are strict monoidal functors by construction: decoding a concatenated word is concatenation of independently generated loop segments. In contrast, we prove that softmax self-attention cannot simultaneously satisfy strict monoidal composition and descent to any non-trivial compositional quotient. Experiments on the torus, wedge of circles, and Klein bottle validate the predicted hierarchy: functorial decoders outperform non-functorial alternatives by $2$--$10\times$, and a learned 2-cell closes a $46\%$ error gap precisely on words exercising the Klein-bottle relation. These results suggest that compositional generalization should be enforced as functorial structure in the architecture, rather than learned from examples alone.
Authors: Yasi Zhang, Tianyu Chen, Mingyuan Zhou, Oscar Leong, Ying Nian Wu, Michal Lukasik
Abstract: Large language models (LLMs) are increasingly deployed as automated evaluators that assign numeric scores to model outputs, a paradigm known as LLM-as-a-Judge. However, standard Reinforcement Learning (RL) methods typically rely on binary rewards (e.g., 0-1 accuracy), thereby ignoring the ordinal structure inherent in regression tasks; for instance, they fail to recognize that predicting 4 is significantly better than predicting 1 when the ground truth is 5. Conversely, existing regression-aware approaches are often confined to Supervised Fine-Tuning (SFT), limiting their ability to explore optimal reasoning paths. To bridge this gap, we propose \textbf{REAL} (\underline{RE}gression-\underline{A}ware Reinforcement \underline{L}earning), a principled RL framework designed to optimize regression rewards, and also proven to be optimal for correlation metrics. A key technical challenge is that the regression objective is explicitly policy-dependent, thus invalidating standard policy gradient methods. To address this, we employ the generalized policy gradient estimator, which naturally decomposes optimization into two complementary components: (1) exploration over Chain-of-Thought (CoT) trajectory, and (2) regression-aware prediction refinement of the final score. Extensive experiments across model scales (8B to 32B) demonstrate that REAL consistently outperforms both regression-aware SFT baselines and standard RL methods, exhibiting significantly better generalization on out-of-domain benchmarks. On Qwen3-32B specifically, we achieve gains of +8.40 Pearson and +7.20 Spearman correlation over the SFT baseline, and +18.30/+11.20 over the base model. These findings highlight the critical value of integrating regression objectives into RL exploration for accurate LLM evaluation.
Authors: Michal Balcerak, Suprosana Shit, Chinmay Prabhakar, Sebastian Kaltenbach, Michael S. Albergo, Yilun Du, Bjoern Menze
Abstract: Generative modeling of discrete data, such as graphs, underpins many scientific and industrial applications, including molecular discovery and materials design. In these domains, probabilistic inference is particularly valuable, as it enables composable generation and principled incorporation of desired constraints, such as structural or functional properties. Energy-based models naturally support this goal by capturing relative likelihoods and enabling composable inference by directly enforcing constraints during inference. However, discrete energy-based models typically struggle with efficient and high-quality sampling, as off-support regions often contain spurious local minima, trapping samplers and causing training instabilities, resulting in a fidelity gap compared to discrete diffusion models. To address this gap, we introduce Graph Energy Matching (GEM), a discrete generative framework inspired by the Jordan-Kinderlehrer-Otto (JKO) transport-map optimization perspective. GEM learns a permutation-invariant potential energy that simultaneously guides discrete transport from noise toward high-likelihood graph regions and refines samples within these regions. We further introduce a sampling protocol leveraging an energy-based switching strategy, seamlessly bridging rapid, gradient-guided transport and a local mixing regime for effective exploration. On molecular graph benchmarks, GEM matches or surpasses strong discrete diffusion baselines on most reported metrics. Beyond improving generation quality, GEM's relative likelihood modeling enables targeted exploration, facilitating compositional generation, property-constrained sampling, and interpolation between graphs. Project page: https://michalbalcerak.ai/graph-energy-matching/.
Authors: Tongfei Chen, Jingying Yang, Linlin Yang, Juan Zhang, Jinhu L\"u, David Doermann, Chunyu Xie, Long He, Tian Wang, Guodong Guo, Baochang Zhang
Abstract: Deep networks often rely on architectural heuristics to shape representation evolution, limiting their ability to model data governed by intrinsic dynamics. We present the Circuit-inspired High-Order Neural Network (CHONN), a modular framework that treats representation evolution as a latent potential process and increases its effective order through Kirchhoff-inspired cascade composition. A single Kirchhoff Neural Cell implements a stable first-order update, while serially composed cells form higher-order dynamical operators within one block. This construction is interpretable, numerically stable and compatible with common neural backbones. Theoretical analysis shows that cascaded cells induce end-to-end high-order operators, and controlled experiments demonstrate that intra-block high-order construction differs from generic depth stacking, especially on derivative-sensitive measures. Across steady-state operator learning, long-horizon physical forecasting and ImageNet-1K recognition, CHONN improves structural fidelity, rollout stability and visual representation learning. These results identify high-order circuit composition as a general principle for neural dynamics modeling.
Authors: Yijun Wang, Qiyuan Zhuang, Larysa Marchanka, Xiu-Shen Wei
Abstract: Real-world time series exhibit temporally structured uncertainty: volatility clusters in turbulent regimes, dissipates in stable periods, and shifts abruptly around structural breaks. Yet many probabilistic forecasting methods estimate predictive uncertainty as an independent per-step quantity, leaving the evolution and persistence of volatility regimes under-modeled. We formalize this missing dimension as temporal uncertainty dynamics and instantiate it in the Volatility Dynamics Variational Autoencoder (VolDy-VAE), a non-autoregressive generative forecaster with a location-scale decoder. VolDy-VAE combines a location path for mean prediction with a recurrent scale path that transfers and evolves a volatility hidden state from the look-back window to the forecasting horizon, enabling temporally coherent predictive variances. This design yields an adaptive attenuation mechanism: high-variance observations receive lower influence on the location estimate while their uncertainty is preserved through explicit scale predictions. We further provide a simplified regime-switching analysis showing that, when variances are known or consistently estimated, the volatility-aware objective reduces to inverse-variance weighting, whereas MSE-based estimators remain unbiased but statistically inefficient. Experiments on nine benchmarks show that VolDy-VAE improves forecasting accuracy and uncertainty calibration over competitive probabilistic and point-forecasting baselines while maintaining low inference latency; plug-in studies further indicate that the VolDy principle can benefit GAN, Koopman VAE, and Transformer backbones. The source code is publicly available at https://github.com/wangyijunlyy/VolDy-VAE.
Authors: Andrew Jacobsen, Dorian Baudry, Shinji Ito, Nicol\`o Cesa-Bianchi
Abstract: We revisit the standard perturbation-based approach of Abernethy et al. (2008) in the context of unconstrained Bandit Linear Optimization (uBLO). We show the surprising result that in the unconstrained setting, this approach effectively reduces Bandit Linear Optimization (BLO) to a standard Online Linear Optimization (OLO) problem. Our framework improves on prior work in several ways. First, we derive expected-regret guarantees when our perturbation scheme is combined with comparator-adaptive OLO algorithms, leading to new insights about the impact of different adversarial models on the resulting comparator-adaptive rates. We also extend our analysis to dynamic regret, obtaining the first guarantees with optimal $\sqrt{P_T}$ path-length dependencies without prior knowledge of $P_T$. We then develop the first high-probability guarantees for both static and dynamic regret in uBLO. Finally, we discuss lower bounds on the static regret, and prove the folklore $\Omega(\sqrt{dT})$ rate for adversarial linear bandits on the Euclidean ball, which is of independent interest.
Authors: Yuejiang Liu, Fan Feng, Lingjing Kong, Weifeng Lu, Jinzhou Tang, Kun Zhang, Kevin Murphy, Chelsea Finn, Yilun Du
Abstract: General-purpose world models promise scalable policy evaluation, optimization, and planning, yet achieving the required level of robustness remains challenging. Unlike policy learning which primarily focuses on optimal actions, a world model needs to be reliable over a vast space of suboptimal actions, which are often underrepresented in action-labeled robot interactions. To address this challenge, we propose World Action Verifier (WAV), a framework that enables world models to identify their own prediction errors and self-improve. The key idea is to decompose action-conditioned state prediction into two independently verifiable factors: state plausibility and action reachability. We show that verifying these factors is significantly more tractable than direct forward prediction due to two underlying asymmetries: the broader availability of action-free data and the lower dimensionality of action-relevant features. Leveraging these asymmetries, we augment a world model with (i) a diverse subgoal generator obtained from video corpora and (ii) a sparse inverse model that infers actions from a subset of state features. By enforcing cycle consistency among proposed subgoals, inferred actions, and forward rollouts, WAV provides an effective verification mechanism in under-explored regimes, where existing methods often fail. Across nine tasks spanning MiniGrid, RoboMimic, and ManiSkill, our method achieves 2x higher sample efficiency while improving downstream policy performance by over 22%.
Authors: Tianyue Yang, Xiao Xue
Abstract: Neural operators have emerged as powerful surrogates for dynamical systems due to their grid-invariant properties and computational efficiency. However, Fourier-based variants inherently truncate high-frequency components in spectral space, resulting in the loss of small-scale structures and degraded prediction quality at high resolutions when trained on low-resolution data. While diffusion-based enhancement methods can recover multi-scale features, they introduce substantial inference overhead that undermines the efficiency advantage of neural operators. In this work, we introduce MeanFlow-Enhanced Neural Operators (MENO), a novel framework that achieves accurate all-scale predictions with minimal inference cost. By leveraging the improved MeanFlow method, MENO restores both small-scale details and large-scale dynamics with superior physical fidelity and statistical accuracy. We evaluate MENO on three challenging dynamical systems, including phase-field dynamics, 2D Kolmogorov flow, and active matter dynamics, at resolutions up to 256$\times$256. Across all benchmarks, MENO improves the power spectrum density accuracy by up to a factor of 2 compared to baseline neural operators while achieving up to $14\times$ faster inference than the state-of-the-art Denoising Diffusion Implicit Model (DDIM)-enhanced counterparts, effectively bridging the gap between accuracy and efficiency. The flexibility and efficiency of MENO position it as an efficient surrogate model for scientific machine learning applications where both statistical integrity and computational efficiency are paramount.
Authors: Patrick Lutz, Themistoklis Haris, Arjun Chandra, Aditya Gangrade, Venkatesh Saligrama
Abstract: Transformers can perform in-context classification from a few labeled examples, yet the inference-time algorithm remains opaque. We study multi-class linear classification in the hard no-margin regime and make the computation identifiable by enforcing feature- and label-permutation equivariance at every layer. This enables interpretability while maintaining functional equivalence and yields highly structured weights. From these models we extract an explicit depth-indexed recursion: an end-to-end identified, emergent update rule inside a softmax transformer, to our knowledge the first of its kind. Attention matrices formed from mixed feature-label Gram structure drive coupled updates of training points, labels, and the test probe. The resulting dynamics implement a geometry-driven algorithmic motif, which can provably amplify class separation and yields robust expected class alignment.
Authors: Runhe Zhou, Shanglin Li, Guanxiang Huang, Xinliang Zhou, Qibin Zhao, Motoaki Kawanabe, Yi Ding, Cuntai Guan
Abstract: Electroencephalography (EEG)-based multimodal learning integrates brain signals with complementary modalities to improve mental state assessment, providing great clinical potential. The effectiveness of such paradigms largely depends on the representation learning on heterogeneous modalities. For EEG-based paradigms, one promising approach is to leverage their hierarchical structures, as recent studies have shown that both EEG and associated modalities (e.g., facial expressions) exhibit hierarchical structures reflecting complex cognitive processes. However, Euclidean embeddings struggle to represent these hierarchical structures due to their flat geometry, while hyperbolic spaces, with their exponential growth property, are naturally suited for them. In this work, we propose EEG-MoCE, a novel hyperbolic mixture-of-curvature experts framework designed for multimodal neurotechnology. EEG-MoCE assigns each modality to an expert in a learnable-curvature hyperbolic space, enabling adaptive modeling of its intrinsic geometry. A curvature-aware fusion strategy then dynamically weights experts, emphasizing modalities with richer hierarchical information. Extensive experiments on benchmark datasets demonstrate that EEG-MoCE achieves state-of-the-art performance, including emotion recognition, sleep staging, and cognitive assessment. Code is available at https://github.com/zhourunhe/EEG-MoCE.
Authors: Yaohong Yang, Sammie Katt, Samuel Kaski
Abstract: Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing multiple expensive black-box functions. However, existing MOBO methods often struggle with coverage, scalability, and handling constraints and preferences. In this work we propose STAGE-BO, Sequential Targeting Adaptive Gap-Filling $\varepsilon$-Constraint Bayesian Optimization: by analyzing the coverage of the surrogate Pareto front, our method identifies the Pareto front point with the largest uncovered gap, and uses its coordinates to define adaptive constraints in $\varepsilon$-constraint method, which transforms the problem into a sequence of inequality-constrained subproblems, efficiently solved via constrained expected improvement acquisition. Our approach provides uniform Pareto coverage without hypervolume computation and naturally handles constraints and preferences. Experiments on synthetic and real-world benchmarks demonstrate superior coverage and competitive hypervolume performance against state-of-the-art baselines. Our code implementation can be found at https://github.com/YangYaohong1/STAGE-BO.
Authors: Franki Nguimatsia Tiofack, Fabian Schramm, Th\'eotime Le Hellard, Justin Carpentier
Abstract: Standard approaches to goal-conditioned reinforcement learning (GCRL) that rely on temporal-difference learning can be unstable and sample-inefficient due to bootstrapping. While recent work has explored contrastive and supervised formulations to improve stability, we present a probabilistic alternative, called survival value learning (SVL), that reframes GCRL as a survival learning problem by modeling the time-to-goal from each state as a probability distribution. This structured distributional Monte Carlo perspective yields a closed-form identity that expresses the goal-conditioned value function as a discounted sum of survival probabilities, enabling value estimation via a hazard model trained via maximum likelihood on both event and right-censored trajectories. We introduce three practical value estimators, including finite-horizon truncation and two binned infinite-horizon approximations to capture long-horizon objectives. Experiments on offline GCRL benchmarks show that SVL combined with hierarchical actors matches or surpasses strong hierarchical TD and Monte Carlo baselines, excelling on complex, long-horizon tasks. Webpage and Code: https://simple-robotics.github.io/publications/survival-value-learning/
URLs: https://simple-robotics.github.io/publications/survival-value-learning/
Authors: Shashank Mishra, Karan Patil, Cedric Schockaert, Didier Stricker, Jason Rambach
Abstract: Root cause analysis (RCA) for time-series anomaly detection is critical for the reliable operation of complex real-world systems. Existing explanation methods often rely on unrealistic feature perturbations and ignore temporal and cross-feature dependencies, leading to unreliable attributions. We propose a conditional attribution framework that explains anomalies relative to contextually similar normal system states. Instead of using marginal or randomly sampled baselines, our method retrieves representative normal instances conditioned on the anomalous observation, enabling dependency-preserving and operationally meaningful explanations. To support high-dimensional time-series data, contextual retrieval is performed in learned low-dimensional representations using both variational autoencoder latent spaces and UMAP manifold embeddings. By grounding the retrieval process in the system's learned manifold, this strategy avoids out-of-distribution artifacts and ensures attribution fidelity while maintaining computational efficiency. We further introduce confidence-aware and temporal evaluation metrics for assessing explanation reliability and responsiveness. Experiments on the SWaT and MSDS benchmarks demonstrate that the proposed approach consistently improves root-cause identification accuracy, temporal localization, and robustness across multiple anomaly detection models. These results highlight the practical utility of conditional attribution for explainable anomaly diagnosis in complex time-series systems. Code and models will be publicly released.
Authors: Guchan Li, Rui Tian, Hongning Wang
Abstract: Large language models (LLMs) have demonstrated significant potential in formal theorem proving, yet state-of-the-art performance often necessitates prohibitive test-time compute via massive roll-outs or extended context windows. In this work, we address this scalability bottleneck by exploiting an informative structure in formal verification: the observation that compilers map a vast space of diverse proof attempts to a compact set of structured failure modes. We introduce a learning-to-refine framework that leverages this compression to perform efficient learning and proof exploration. We perform tree search that corrects errors locally conditioned on explicit verifier feedback, thereby circumventing the costs associated with accumulating a long history of proof attempts. Extensive evaluations show that our method consistently amplifies the reasoning capabilities of base provers across varying scales. Notably, our approach achieves state-of-the-art performance on PutnamBench among publicly reported $\sim$8B and $\sim$32B parameter models under comparable test-time budgets, offering a scalable paradigm for next-generation verifier-guided reasoning.
Authors: Clara Mohri, Amir Globerson, Haim Kaplan, Tomer Koren, Yishay Mansour
Abstract: We consider the problem of Cost-Aware Learning, where sampling different components of a finite-sum objective incurs different costs. The objective is to reach a target error while minimizing the total cost. We propose Cost-Aware SGD, which uses a distribution based on gradient norms and costs to sample components. We provide a thorough analysis of this algorithm, including cost-improvement bounds over baselines, a characterization of distribution proxy sub-optimality, and a lower bound. We apply our theoretical insights to reinforcement learning with language models, where the computational cost of sequence-level policy gradients varies with length. We find that the advantage magnitude serves as a high-fidelity proxy for gradient norms, and use this to introduce Cost-Aware GRPO. Empirical results on 1.5B, 4B, and 8B LLMs demonstrate that this algorithm significantly reduces the tokens used in policy optimization while matching or exceeding baseline accuracy.
Authors: Sahil Mishra, Srinitish Srinivasan, Sourish Dasgupta, Tanmoy Chakraborty
Abstract: Real-world knowledge is often organized as hierarchies such as product taxonomies, medical ontologies, and label trees, yet learning hierarchical representations is challenging due to asymmetric structure and noisy semantics. We introduce Polaris, a polar hyperspherical embedding framework that separates semanticity from hierarchy using angular geometry and radius, enabling the learning of meaning and structure without interference. To map latent representation onto the sphere, we project it to the tangent space at the north pole, apply the exponential map, and learn unit-norm representations using spherical linear layers. Polaris then combines robust local constraints, global regularization that prevents geometric collapse, and uncertainty-aware asymmetric objectives that encourage directional containment. At inference time, Polaris uses structure-guided retrieval to efficiently narrow down candidate parents before final ranking. We evaluate Polaris on different settings of taxonomy expansion - spanning trees, multi-parent DAGs, and multimodal hierarchies, showing consistent improvements of up to ~19 points in top-K retrieval and up to ~60% reduction in mean rank over fourteen strong baselines.
Authors: Badr Moufad, Albina Ilina, Hai Victor Habi, Salem Lahlou, Yazid Janati, Hagit Messer, Eric Moulines
Abstract: Commercial Microwave Links (CMLs) offer dense spatial coverage for rainfall sensing but produce path-integrated measurements that make accurate ground-level reconstruction challenging. Existing methods typically oversimplify CMLs as point sensors and neglect line integration relating rainfall to signal attenuation, resulting in degraded performance under heterogeneous precipitation. In this work, we view rain field reconstruction as a Bayesian inverse problem with Diffusion Models (DMs) as high-fidelity spatial priors. We show that diffusion models better preserve key rainfall statistics compared to censored Gaussian processes. Framing rainfall estimation as a Bayesian inverse problem with a DM prior enables training-free posterior sampling using a broad family of methods, including Plug-and-Play, Sequential Monte Carlo, and Replica Exchange methods. Experiments on synthetic and real-world datasets demonstrate consistent improvements over established CML-based reconstruction baselines.
Authors: Muhammad H. Ashiq, Samanyu Arora, Abhinav N. Harish, Ishaan Kharbanda, Hung Yun Tseng, Grigorios G. Chrysos
Abstract: We theoretically study the hallucination phenomena in two canonical diffusion samplers: the stochastic Denoising Diffusion Probabilistic Model (DDPM) and the deterministic Denoising Diffusion Implicit Model (DDIM). We analyze the reverse ODE (DDIM) and SDE (DDPM) for a Gaussian mixture target, proving that after a critical time $\tau$, (a) DDIM can become stuck on the segment connecting the two nearest modes and (b) DDPM *stochasticity* helps it become unstuck from this region, thus avoiding hallucination. Our empirical validation verifies that DDPM has a significantly lower hallucination rate than DDIM when this region is entered. Building on our observations, we exhibit how using additional stochastic steps can help DDIM avoid hallucinations and offer new insights on how to design improved samplers.
Authors: Christian Moya, Alex Semendinger, Guang Lin, Elliott Thornley
Abstract: Preference learning methods like Direct Preference Optimization (DPO) are known to induce reliance on spurious correlations, leading to sycophancy and length bias in today's language models and potentially severe goal misgeneralization in future systems. In this work, we provide a unified theoretical analysis of this phenomenon, characterizing the mechanisms of spurious learning, its consequences on deployment, and a provable mitigation strategy. Focusing on log-linear policies, we show that standard preference-learning objectives induce reliance on spurious features at the population level through two channels: mean spurious bias and causal-spurious correlation leakage. We then show that this reliance creates an irreducible vulnerability to distribution shift: more data from the same training distribution fails to reduce the model's dependence on spurious features. To address this, we propose tie training, a data augmentation strategy using ties (equal-utility preference pairs) to introduce data-driven regularization. We demonstrate that this approach selectively reduces spurious learning without degrading causal learning. Finally, we validate our theory on log-linear models and provide empirical evidence that both the spurious learning mechanisms and the benefits of tie training persist for neural networks and large language models.
Authors: Daniel Holmberg, Joel Oskarsson, Erik Wikingsson, Fredrik Lindsten, Teemu Roos
Abstract: Ocean dynamics are inherently chaotic, yet existing machine learning ocean models produce only deterministic forecasts. We introduce Njord, a probabilistic data-driven model for ocean forecasting, applicable to both global and regional domains. Njord combines a deep latent variable framework with a graph neural network architecture, enabling sampling each forecast step in a single forward pass. We apply Njord globally at 0.25{\deg} resolution and regionally to the Baltic Sea at 2 km resolution. To scale to these large ocean grids we introduce K-means cluster meshes that adapt to irregular sea surface geometry. Experiments demonstrate strong performance on both domains compared to deterministic machine learning baselines, while also providing uncertainty estimates from the sampled ensemble forecasts. On the global OceanBench benchmark, Njord achieves the lowest errors on average across upper-ocean variables when evaluated against real-world observations, with the largest improvements in surface temperature prediction.
Authors: Sihan Zeng, Sujay Bhatt, Sumitra Ganesh
Abstract: Neural networks are typically trained with a single learning rate across all layers. While recent empirical evidence suggests that assigning layer-specific learning rates can accelerate training, a principled understanding of the conditions and mechanisms under which non-uniform learning rates are beneficial remains limited. In this work, we investigate non-uniform learning rates through the lens of Stackelberg optimization. Specifically, we demonstrate that training neural networks with a smaller learning rate for the body layers and a larger learning rate for the final layer can be interpreted as a two-time-scale alternating gradient descent algorithm applied to a Stackelberg reformulation of the original objective. We establish finite-time convergence guarantees for the algorithm under broad conditions that accommodate constraint sets and non-smooth activation functions. Beyond convergence, we identify two mechanisms by which non-uniform learning rates can outperform uniform learning rates: (i) we show that certain problem instances induce a Stackelberg objective with stronger optimization structure than the original objective, yielding faster convergence to globally optimal solutions, (ii) our numerical analysis reveals that the Stackelberg objective can exhibit substantially sharper local curvature, especially in early training, which leads to more informative gradients and learning acceleration. Experiments in supervised learning and reinforcement learning support our findings.
Authors: Xingjian Wu, Junkai Lu, Siyu Yan, Xiangfei Qiu, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: Recent advances in Large Language Models (LLMs) have catalyzed the development of multi-agent systems (MAS) for complex reasoning tasks. However, existing MAS typically rely on pre-defined or pre-compiled communication topologies, which limits their flexibility and adaptability to dynamic task requirements. In this work, we propose Differentiable Mixture-of-Agents (DMoA), a self-evolving multi-agent framework that enables elastic and adaptive agent collaboration during inference. Instead of statically constructing workflows, DMoA dynamically routes and activates agents at each reasoning step, allowing the system to implicitly simulate diverse communication topologies and adapt to evolving demands. To achieve this, we design a differentiable, context-aware routing mechanism that leverages recurrent structures to incorporate historical and contextual information, producing sparse agent activations in a step-wise manner. Furthermore, we introduce predictive entropy as self-supervised signals to optimize the routing process, enabling efficient test-time adaptation without external annotations. Extensive experiments across 9 benchmarks demonstrate that DMoA achieves state-of-the-art performance while exhibiting strong efficiency, robustness, and ensembling capabilities.
Authors: Qiran Zou, Hou Hei Lam, Wenhao Zhao, Tingting Chen, Yiming Tang, Samson Yu, Yingtao Zhu, Srinivas Anumasa, Zufeng Zhang, Tianyi Zhang, Chang Liu, Zhengyao Jiang, Anirudh Goyal, Dianbo Liu
Abstract: AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which strategy choices drive performance remains unclear. Answering this question requires a benchmark that separates agent strategy (e.g., search topology) from execution infrastructure (e.g., code editor), so that performance differences are attributable to strategy rather than infrastructure, and that provides process-level metrics beyond final scores to analyze exploration behaviors. Existing benchmarks offer limited support. We propose FML-Bench, a benchmark of 18 fundamental ML research tasks across 10 domains that separates agent strategy from execution infrastructure and defines 12 process-level behavioral metrics. Evaluating six representative agents, we find that: (1) strategy complexity alone does not guarantee strong performance: a simple greedy hill-climber nearly matches the best-performing tree-search agent, both well above the remaining agents; (2) our analysis suggests this pattern relates to improvement opportunity structure: greedy search tends to be more effective when opportunities are dense, while tree-search and evolutionary strategies tend to be more effective when opportunities are sparse; an adaptive agent built on this insight switches to broader exploration upon detecting improvement stagnation and outperforms the other six agents, lending initial support to this observation; and (3) process-level analysis reveals that early convergence and directionally focused exploration are significantly associated with final performance, while solution diversity and compute cost are not. Our benchmark is available at: https://github.com/qrzou/FML-bench.
Authors: Wenxuan Xiao
Abstract: Binary quantization (BQ) compresses high-dimensional embeddings into one or two bits per coordinate, enabling nearest neighbor search at extreme speed. Yet a striking puzzle persists: BQ achieves competitive recall on contrastive embeddings but fails on others -- and two leading systems adopt diametrically opposite strategies (random rotation vs. preserving coordinate axes) without a common theory explaining when each is appropriate. We address this puzzle by connecting the Gaussian structure recently established for InfoNCE-trained representations to a statistical framework for BQ quality. Our analysis reveals two distinct roles of the covariance matrix. First, the full covariance structure -- not merely its diagonal -- determines the absolute level of ranking fidelity, with off-diagonal correlations contributing 30--50% of the signal. Second, coordinate heterogeneity (the non-uniformity of per-coordinate variances) governs key design choices: how much each additional bit contributes, and whether random rotation helps or hurts. We derive approximate expressions for ranking fidelity under a Gaussian model, show that the magnitude bit carries information proportional to heterogeneity, and show that random rotation destroys precisely the signal that one paradigm exploits while creating the isotropy that the other requires. A phenomenological scaling law predicts fidelity across models and dimensions. Experiments on 18 datasets spanning 9 embedding families support the main predictions and provide, to our knowledge, the first principled design guide for binary quantization systems.
Authors: Sunwoo Lee, Mingu Kang, Yonghyeon Jo, Seungyul Han
Abstract: Cooperation is central to multi-agent reinforcement learning (MARL), yet learned coordination can be fragile when external perturbations disrupt inter-agent interactions. Prior robust MARL methods have primarily considered value-oriented attacks, leaving a gap in robustness when interaction structures themselves are corrupted. In this paper, we propose an interaction-breaking adversarial learning (IBAL) framework that takes an information-theoretic view to construct attacks that impede coordination by perturbing agents' observations and actions, and trains agents to perform reliably under such disruptions. Empirically, our approach improves robustness over existing robust MARL baselines across diverse attack settings and yields stronger performance even under agent-missing scenarios. Our code is available at https://sunwoolee0504.github.io/IBAL.
Authors: Guillaume Lauga (LJAD), Cesare Molinari (MaLGA), Samuel Vaiter (CNRS, LJAD)
Abstract: Global optimization is a challenging problem, with plenty of algorithms displaying empirical success, but scarce theoretical backing. In this work, we propose a new theoretical framework called Proximal Basin Hopping (PBH), carefully tailored to combine proximal optimization and local minimization. We use it to construct a practical algorithm that converges to the global minimizer with high probability, when using a finite amount of samples. Proximal Basin Hopping outperforms well known algorithms with theoretical backing on standard synthetic hard functions, and real problems such as fitting scaling laws for deep learning. Furthermore, the higher the dimension, the better the performance gap.
Authors: Ahmet H. G\"uzel, Jenny Seidenschwarz, Benjamin Graham, Jonathan Sadeghi, Jeffrey Hawke, Ilija Bogunovic
Abstract: Modern action-conditioned video world models achieve strong short-horizon visual realism, yet remain unreliable on rare, interaction-critical transitions that dominate downstream planning and policy performance. Because passive demonstration data systematically under-samples these high-impact regimes, improving robustness requires actively eliciting model failures rather than relying on their natural occurrence. We introduce a KL-constrained adversarial curriculum in which a policy is trained to expose high-error trajectories of a diffusion-based world model while remaining close to the behavior distribution. The world model is continuously fine-tuned on these adversarially discovered trajectories, yielding an adversarial training loop that converts rare failures into a stable, near-distribution training signal without drifting into out-of-distribution exploitation. To maintain pressure on unresolved weaknesses as the model improves, we propose a Prioritized Adversarial Trajectory (PAT) buffer that re-ranks trajectories based on prediction error, action fidelity, and learning progress, focusing training on unresolved failure modes rather than repeatedly revisiting solved cases. We implement our approach in the MineRL framework and evaluate it on held-out out-of-distribution trajectories; PROWL improves robustness over models trained on passive data alone, reveals reward-hacking behaviors under weak behavioral constraints, and demonstrates that effective adversarial world-model training critically depends on balancing exploratory failure discovery with explicit behavioral regularization. Our results suggest that scalable world models benefit not only from larger datasets, but also from selectively generating informative training data.
Authors: Asher Labovich, Benjamin Bradley, Vanessa Alexander, Chaitanya Harsha
Abstract: Encoder-decoder models offer substantial inference-time savings over decoder-only models, but their pretraining objectives suffer from sparse supervision and dynamic sequence lengths, keeping them out of practice at scale. We propose block-based double decoders, a novel transformer architecture that utilizes doubly-causal block-based attention masks to train with full loss supervision and static sequence packing, combining decoder-only training efficiency with encoder-decoder inference efficiency. In scaling law experiments, block-based double decoders strongly outperform encoder-decoders and closely track decoder-only models across scales. At inference time, they cut KV-cache memory and per-token compute by at least 2/3 without sacrificing prefill caching or other existing inference optimizations available to decoder-only models.
Authors: Srijith Nair, Atilla Eryilmaz, Jia Liu
Abstract: In the literature, many continual learning (CL) algorithms have been proposed to address the issue of catastrophic forgetting in ML models (i.e., learning new tasks leads to the loss of performance on previously learned tasks). Although all CL approaches use some form of memory to retain information about past tasks, a grounded understanding of what information needs to be stored to minimize catastrophic forgetting remains elusive. Recently, it has been recognized that under the strong assumption of the existence of a common global minimizer over all tasks, catastrophic forgetting can be completely avoided. However, in practice, tasks rarely have a common global minimizer, and a certain amount of forgetting is inevitable. In this paper, we propose a foundational framework for principled and systematic CL of conflicting tasks using a multi-task learning (MTL) perspective. The approach is based on finding Pareto-optimal solutions, i.e., the solutions which, by definition, minimally forget the previous tasks in the Pareto sense. We derive Pareto-minimal-forgetting CL algorithms for linear and basis-function regression, and general loss functions which have a quadratic upper bound, e.g., logistic regression. For quadratic problems, PMF-CL uses memory-efficient iterative updates with a static memory footage of $\mathcal{O}(d^2)$ for models with $d$ parameters.
Authors: Taijie Chen, Rui Su, Siyuan Feng, Laoming Zhang, Hongyang Zhang, Haijiao Wang, Zhaofeng Ma, Jintao Ke, Li Ma
Abstract: Ride-hailing platforms like DiDi Chuxing operate in highly dynamic environments where balancing driver supply and passenger demand is critical. Although driver-side subsidies serve as a primary lever to align these forces and improve key KPIs like completed rides (\texttt{Rides}) and gross merchandise value (\texttt{GMV}), optimizing them in production requires simultaneously meeting three constraints: (i) responsiveness to stochastic shocks, (ii) strict subsidy-rate caps, and (iii) low-latency execution at city scale. These requirements rule out expensive per-order optimization, calling for a forward-looking, constraint-aware city-level controller for online sequential decision making. To meet these requirements, we introduce D$^3$-Subsidy (Dynamic Driver-side Diffusion-based Subsidy), a hierarchical diffusion-based framework for deployable city-wide subsidy control. To bridge the train-inference gap, D$^3$-Subsidy employs a prefix-conditioned diffusion model that samples plausible future trajectories from immutable historical observations, ensuring the training protocol aligns with the fixed-history nature of online deployment. These generated plans are then decoded by a context-conditioned inverse module into low-dimensional city-level control signals. For scalable execution, we bridge the gap between city-level planning and fine-grained dispatch via a Lagrangian-dual-derived mapping, which embeds subsidy-rate caps directly into order-driver incentives without iterative optimization. Additionally, a multi-city pretraining strategy with parameter-efficient fine-tuning enables robust transfer across heterogeneous cities. Extensive offline evaluations demonstrate that D$^3$-Subsidy improves \texttt{Rides} and \texttt{GMV} while enhancing cap compliance, and a real-world A/B test confirms significant uplift while keeping budget-related violation metrics within operational thresholds.
Authors: John-Joseph Brady, Nikolas Nusken, Yunpeng Li
Abstract: Latent state space systems are ubiquitous in statistical modelling, arising naturally when time series are observed through noisy measurements. However, training deep state space models (DSSMs) at scale remains difficult. Two largely distinct strategies have emerged for training DSSMs. The first, auto-encoding DSSMs, trains generative models by optimising a variational lower bound. The second backpropagates through the outputs of classical sequential Monte Carlo (SMC) algorithms. Such approaches can train DSSMs for both discriminative and generative tasks, but their inherently sequential forward passes scale poorly on modern hardware. We propose \emph{parallel variational Monte Carlo} (PVMC), a new training method that bridges these paradigms and robustly trains DSSMs for both discriminative and generative tasks. Across a set of benchmark experiments, PVMC matches or exceeds state-of-the-art performance while training $10\times$ faster than the fastest competing SMC-based approach.
Authors: Qihao Lin, Guanxu Chen, Dongrui Liu, Jing Shao
Abstract: As LLMs continue to scale up, improving training efficiency heavily relies on effective data utilization. Data selection mitigates this issue by allocating the limited training budget to high-value examples that optimally facilitate the model's target behavior. Most existing approaches define target behavior via a set of target examples and score candidate training data based on their estimated influence on these samples. However, such methods uniformly treat all target examples as equally important, ignoring the varying relevance of individual examples to model optimization. Specifically, target examples that align closely with the model's inherent behavior deliver stronger supervisory signals, whereas discrepant examples yield only weak and ineffective local guidance. We propose PRISM, a Preference-aware Influence function based Data Selection Method. It leverages model preference to assign weights to target examples and builds a preference-aware target direction. PRISM evaluates candidate training samples according to their influence on this direction, and prioritizes data budget allocation to samples that effectively drive the model to match expected target behavior. Theoretical analysis verifies that weighted preference construction generates a superior first-order gradient direction for boosting target preference, compared with uniform aggregation strategies. Extensive experiments covering diverse model architectures and parameter scales demonstrate that PRISM achieves better performance in efficient fine-tuning and safety-aligned supervised fine-tuning rectification. The results validate that accurate characterization of target behavior serves as the core of cost-effective data selection.
Authors: Caleb Winston, Ron Yifeng Wang, Azalia Mirhoseini, Christos Kozyrakis
Abstract: Computer-use agents (CUAs) automate tasks specified with natural language such as "order the cheapest item from Taco Bell" by generating sequences of calls to tools such as click, type, and scroll on a browser. Current implementations follow a sequential fetch-screenshot-execute loop where each iteration requires an LLM call, resulting in high latency and frequent errors from incorrect tool use. We present agent just-in-time (JIT) compilation, a system that compiles task descriptions directly into executable code that may include LLM calls, tool calls, and parallelization. Our approach comprises three components: (1) JIT-Planner, which generates multiple code plans, validates each against tool specifications, and selects the minimum-cost candidate; (2) JIT-Scheduler, which explores parallelization strategies via Monte Carlo cost estimation from learned latency distributions; and (3) an invariant-enforcing tool protocol specifying precondition and postcondition requirements to reduce the rate of incorrect tool use. Across five applications, JIT-Planner achieves $10.4\times$ speedup and 28$\%$ higher accuracy over Browser-Use, while JIT-Scheduler achieves $2.4\times$ speedup and 9\% higher accuracy over OpenAI CUA.
Authors: Youssef Allouah, Mahdi Haghifam, Sanmi Koyejo, Reza Shokri
Abstract: Distillation attacks create a deployment trade-off for model providers: the same outputs that make a model more useful can also make it easier to imitate. We study this trade-off through a minimax game between a utility-constrained teacher and an adaptive student. Our framework yields tractable one-sided response rules: an adaptive evaluation rule in which the student reweights high-value examples, and a teacher-side defense template that suppresses outputs most useful for distillation. From a cheap proxy for example value, we derive Product-of-Experts (PoE), a simple forward-pass-only defense that combines the teacher with a proxy student during generation. Empirically, adaptive evaluation reveals a large passive--adaptive gap: on state-of-the-art defenses, adaptive students recover substantially more capability than passive evaluation suggests on GSM8K and MATH. Under this stronger evaluation, the apparent robustness gap between expensive defenses and PoE narrows considerably, while PoE remains substantially cheaper and preserves higher-quality reasoning traces. Overall, our results suggest that strong distillation remains difficult to stop, and that progress on antidistillation should be judged against adaptive students rather than passive ones. Our code is available at: https://github.com/ysfalh/distillation-game.
Authors: Benjamin Rozonoyer, Jacopo Minniti, Dhruvesh Patel, Neil Band, Avishek Joey Bose, Tim G. J. Rudner, Andrew McCallum
Abstract: When Masked Diffusion Models (MDMs) generate sequences through iterative refinement, the rich internal computation over masked positions is discarded, forcing every subsequent refinement step to recompute the valuable internal information stored as model representations. To avoid a hard reset between denoising rounds, we propose Learned Relay Representations (Relay), a method that allows MDMs to be forward-thinking when denoising by explicitly learning how to propagate latent information for the benefit of future denoising steps. Relay introduces a differentiable per-token channel that passes information between forward passes and is trained via truncated backpropagation through time (BPTT). We show that this framework can be scaled to state-of-the-art Diffusion Language Models (DLMs), and is seamlessly compatible with techniques like block diffusion and KV caching. We first provide a thorough justification of the design choices in Relay on a challenging Sudoku-based planning task. We then scale Relay to Fast-dLLM v2, a state-of-the-art DLM, outperforming standard supervised finetuning on coding tasks while reducing inference latency by up to 32%. Our empirical results demonstrate that state-of-the-art DLMs can be explicitly trained to relay latent information forward across decoding steps, advancing the performance-latency Pareto frontier. We provide code for all our experiments.
Authors: Francesco Lettich, Mario A. Nascimento, Chiara Pugliese, Chiara Renso
Abstract: Assessing the spatial fairness of predictive models involves establishing whether they are statistically penalizing (favoring) individuals associated with certain geographical locations. Literature on this topic makes the fundamental assumption that each individual is assigned to a single geographical location (e.g., place of residence). However, fairness with respect to the set of locations where one has been, i.e., their movement patterns over different regions, also matters when fairness is considered. Consequently, we argue that it is necessary to generalize the notion of spatial fairness to also include movement patterns, leading to the novel problem of assessing predictive models for fairness relative to the movements of individuals. To deal with this problem, we propose an approach that first associates the movements of individuals to certain geographic regions, considering multiple spatial partitions with different resolutions and alignments, and then employs a suitable spatial scan statistic to assess whether a predictive model is fair based on movement patterns. In the experimental evaluation, we study the performance of our approach over thousands of synthetic unfair datasets, showing that it is effective at detecting this new type of unfairness and at retrieving the set of objects treated unfairly, while localization performance exhibits a consistent multi-resolution trade-off.
Authors: Huangyu Xu, Jingqin Yang, Qianqian Xu, Jiaye Teng
Abstract: Sparse optimization is a fundamental challenge in various practical applications. A popular approach to sparse optimization is $\ell_p$ regularization. However, it may encounter optimization instability due to the unbounded gradients when $0
Authors: Yue Min, Ziyun Qiao, Ruining Chen, Yujun Li
Abstract: LLM pre-training efficacy increasingly depends on data composition rather than sheer volume. Yet, optimal mixing is hindered by categorization flaws: human taxonomies suffer from ontological misalignment, and Euclidean clustering fails to address embedding anisotropy. We introduce GEM (Geometric Entropy Mixing), a framework reformulating data curation as a variational problem on the hypersphere augmented with a mixing-balance regularizer. By decoupling the generative prior and optimizing the objective via a provable MM (Minorize-Maximize) algorithm, GEM effectively counteracts the cluster collapse to discover balanced semantic structures invisible to Euclidean heuristics. We employ teacher-student distillation to scale this geometric fidelity to web-scale corpora and introduce the Geometric Influence Score (GIS) for interpretable taxonomy generation. Experiments with 1.1B-parameter models demonstrate that GEM establishes a new state-of-the-art when integrated into mixing strategies like DoReMi and RegMix, improving average downstream accuracy by up to 1.2% and offering a robust coordinate system for predictable data mixing.
Authors: Runtian Wang, Renhao Xue, Baige Chen, Hao Wu
Abstract: The inverse problem of multilayer thin-film optical coatings design represents a complex combinatorial-continuous optimization challenge. We present PRISM (Position-encoded Regressive Inverse Spectral Model), a unified decoder-only autoregressive transformer that streamlines this process by jointly predicting discrete material selection and continuous thickness regression within a single backbone. PRISM introduces two primary architectural innovations: (1) spectrum prefix conditioning, which utilizes standard prefix tokens for in-context target injection, and (2) cumulative-depth Rotary Position Embeddings, which encode continuous thickness directly into the positional representation to preserve the physical spatial relationships of the stack. Our benchmarks demonstrate that a PRISM-13M model reduces MAE by over 50\% compared to other transformer baselines while utilizing only one-fifth of the parameters. Furthermore, a 44M-parameter variant achieves state-of-the-art performance (MAE = 0.010) on our in-distribution validation benchmark and operates significantly faster than simulated annealing, offering a highly efficient alternative to classical optimization methods.
Authors: Jun Yan, Weiquan Huang, Jiankai Zuo, Yujian Mo, Xi Fang, Chengliang Wu, Zeming Wei
Abstract: Adversarial training (AT) remains one of the most reliable empirical defenses against adversarial attacks. Its robustness critically depends on how the underlying min-max objective is optimized. In practice, Stochastic Gradient Descent (SGD) optimizer remains the default optimization choice for AT, whereas adaptive optimizers often improve standard training but may yield inferior robustness. Recently, the Muon optimizer, which orthogonalizes matrix-valued updates via an approximate polar decomposition, has achieved notable success in large-scale training at a memory cost comparable to SGD. This raises a security-relevant question: \textit{can orthogonalized optimization improve AT under strong and heterogeneous threat models?} Focusing on this problem, we conduct a comprehensive theoretical and empirical study. Theoretically, we show that Muon imposes a spectral-norm stability ceiling on matrix updates, limiting uncontrolled spectral growth in the training dynamics without explicitly shrinking the learned weights. Empirically, across five architectures and three $\ell_p$ threat models ($\ell_\infty$, $\ell_1$, $\ell_2$) and their union, Muon is competitive with SGD on CNNs and substantially outperforms AdamW on both CNNs and ViTs. These results identify optimizer geometry as a security-relevant factor in adversarial training, while clarifying the empirical regimes in which orthogonalized updates are beneficial. Overall, our findings highlight optimizer design as a security-critical component of AT.
Authors: Gaurav Dhama
Abstract: Card payment fraud detection is usually framed as a supervised classification problem. Although this approach has generated practical progress, improvement has remained incremental despite major advances in model architecture. We argue that this is not mainly a failure of function approximation or optimization, but a consequence of structural information impairments inherent to the payment ecosystem. We formalize card authorization as a sequential decision problem with delayed, censored, corrupted, and counterfactually missing feedback. We derive a minimax regret lower bound showing that these impairments enter multiplicatively in the denominator of the achievable learning rate. The bound implies that improving issuer reporting quality or reducing censorship can yield larger reductions in the regret floor than increasing model complexity. We also show that heterogeneity across issuers worsens learnability beyond what average impairment rates suggest. The paper contributes a theory of why fraud detection in payment networks is fundamentally harder than in standard online learning settings, identifies ecosystem information quality as the key bottleneck, and provides a theoretical basis for prioritizing investments in reporting infrastructure, dispute process quality, and selective exploration. The paper is theory-first and does not rely on proprietary transaction data.
Authors: Haruki Yajima, Yusuke Matsui
Abstract: Tree ensembles are machine learning models with strong predictive performance and interpretability, and remain widely used for tabular data. Standard pruning methods for tree ensembles typically optimize an accuracy-compression trade-off and may change a subset of predictions, potentially compromising decision consistency. Faithful pruning methods address this issue by preserving prediction equivalence over the entire input space, but this requirement leads to lower compression ratios. We propose PINE, a pruning method that provides strong guarantees within an in-distribution region. PINE preserves prediction equivalence within this region and controls the region size using a single parameter $\alpha$ via conformal calibration. Experiments on 12 public tabular datasets show that PINE improves the compression ratio by up to 30% while preserving predictions at a comparable level to existing faithful pruning methods.
Authors: Yasser Taha, Gr\'egoire Montavon, Nils K\"orber
Abstract: While machine learning (ML) architectures have evolved rapidly to account for complex data, loss functions like cross-entropy remain mostly structure-agnostic in many real-world applications. However, the "class-symmetric" nature of these standard losses fundamentally limits the ability of ML models to exploit structural relationships between classes, particularly when facing structured noise. We propose Conveyance, a new classification approach and associated loss function tailored to structured class spaces. It allows users to encode graph-like relations between classes without having to define complex joint distributions or manually tune utility matrices. Technically, our loss function operates by maximizing two separate margins over distinct class partitions, while preserving formal properties such as monotonicity and partial convexity. We demonstrate the versatility and effectiveness of our method by applying it to hierarchical classification, ordinal regression, and multiple instance learning. Across these tasks, Conveyance either matches or exceeds the performance of specialized baselines, thereby offering a unified solution for structured class spaces.
Authors: Ivica Nikolic
Abstract: The parameter counts of the most widely used large language models (LLMs) are often withheld by their developers, leaving model size -- a primary reference point for interpreting capabilities and costs -- largely undisclosed. We propose a black-box method to infer conservative lower bounds on LLM size from generated text outputs alone, requiring nothing beyond the ability to submit text fragments and observe next-token predictions. Our approach is grounded in a key observation: popular, widely-circulated texts -- such as classical literature, religious texts, and foundational documents -- are present in virtually every large-scale pretraining corpus, and how accurately a model predicts the next word across text fragments of varying length is a reliable signal of how much it has memorized them, which in turn is fundamentally limited by its total parameter count. We aggregate this memorization signal across a diverse corpus of texts and fragment lengths into a single accuracy profile vector per model, and build two complementary inference methods on top of it: a pairwise statistical test that determines which of two models is larger, and a scaling-law estimator that extracts a one-dimensional latent index from these vectors via Principal Component Analysis (PCA) to map the aggregated signal to a parameter count. Validated on a broad set of open-weight models, both methods produce accurate and reliable lower bounds. When applied to popular closed-weight models, our framework recovers internal product hierarchies and reveals a clear divergence in industry scaling strategies: while some developers yield significantly higher bounds indicative of large generational parameter growth, others operate under strict parameter ceilings, demonstrating that hidden design choices can be systematically probed even under strict API limitations.
Authors: Yueyang Wang, Xili Wang, Kejun Tang, Xiaoliang Wan, Tao Zhou, Chao Yang
Abstract: Solving high-dimensional PDE-governed inverse problems is often challenging due to complex non-Gaussian posterior distributions, expensive forward model evaluations, and misspecified prior information. To address these issues, we propose a deep adaptive dimension-reduction Bayesian inference framework based on the Variational Flow (VF) model. Since standard normalizing flows are restricted by bijective mappings and cannot directly reduce dimensions, VF overcomes this limitation by integrating VAE-based nonlinear dimension reduction with dual normalizing flows for the latent prior and encoder. This design provides a strictly higher evidence lower bound than VAE and allows more flexible approximation of complex posterior distributions. We further introduce an iterative prior updating strategy that gradually moves the prior mean toward high-probability posterior regions, avoiding manual prior tuning. These components form a closed adaptive loop together with an adaptively fine-tuned Fourier Neural Operator (FNO) surrogate: VF generates posterior-concentrated samples to refine the surrogate, while the updated surrogate further improves posterior inference. Numerical experiments on a 100-dimensional Rosenbrock problem and three standard PDE-governed inverse problems show that our method delivers competitive or superior accuracy compared with MCMC, UKI, and SVGD baselines across all tested configurations, with the most pronounced advantages emerging in challenging scenarios such as high-noise observations and high-dimensional parameter spaces.
Authors: Henning Petzka, Asja Fischer, Denis Lukovnikov
Abstract: Since their invention, generative adversarial networks (GANs) have become a popular approach for learning to model a distribution of real (unlabeled) data. Convergence problems during training are overcome by Wasserstein GANs which minimize the distance between the model and the empirical distribution in terms of a different metric, but thereby introduce a Lipschitz constraint into the optimization problem. A simple way to enforce the Lipschitz constraint on the class of functions, which can be modeled by the neural network, is weight clipping. It was proposed that training can be improved by instead augmenting the loss by a regularization term that penalizes the deviation of the gradient of the critic (as a function of the network's input) from one. We present theoretical arguments why using a weaker regularization term enforcing the Lipschitz constraint is preferable. These arguments are supported by experimental results on toy data sets.
Authors: Qiyao Ma, Menglin Yang, Mingxuan Ju, Tong Zhao, Neil Shah, Rex Ying
Abstract: Modern recommender systems often create information cocoons, restricting users' exposure to diverse content. The central challenge is to balance content exploration and exploitation while allowing users to adjust their recommendation preferences. Ideally, this balance can be captured with a hierarchical representation, where depth search facilitates exploitation and breadth search enables exploration. However, existing approaches face two fundamental limitations: Euclidean methods struggle to capture hierarchical structures, while hyperbolic methods, despite their superior hierarchical modeling, lack semantic understanding of user and item profiles and fail to provide a principled mechanism for balancing exploration and exploitation. To address these challenges, we propose HERec, a hyperbolic framework that effectively balances exploration and exploitation in recommender systems. Our framework introduces two key innovations: (1) a semantic-enhanced hierarchical mechanism that aligns rich textual descriptions with collaborative information directly in hyperbolic space. Theoretical gradient analysis demonstrates that this alignment effectively leverages the underlying hyperbolic manifold structure, resulting in more accurate modeling of users and items; (2) an automatic hierarchical clustering mechanism by optimizing Dasgupta's cost, which discovers hierarchical structures without requiring predefined hyperparameters, enabling user-adjustable exploration-exploitation trade-offs. Extensive experiments demonstrate that HERec consistently outperforms both Euclidean and hyperbolic baselines, achieving up to 5.49% improvement in utility metrics and 11.39% increase in diversity metrics, effectively mitigating information cocoons.
Authors: S. A. Adedayo
Abstract: Characterising cause-effect relationships in complex systems is fundamental to understanding their underlying mechanisms. Granger causality (GC) remains a widely used computational tool for identifying causal relationships in time series data. However, like other causal discovery methods, GC has limitations and has been criticised for lacking a rigorous causal foundation. In this work, we present a fix to this criticism by reinterpreting GC through the lenses of Reichenbach's principles and causal Bayesian networks. This reinterpretation was implemented as an algorithm we call causalized Granger causality (c-GC). We demonstrate, both theoretically and graphically, that this reformulation endows GC with a robust causal interpretation under specific assumptions. c-GC yields satisfactory results on synthetic data, offering a more principled framework for causal discovery in observational datasets.
Authors: Amitayush Thakur, George Tsoukalas, Greg Durrett, Swarat Chaudhuri
Abstract: Neural approaches to theorem proving require robust infrastructure for interfacing with interactive theorem provers (ITPs), extracting structured proof data, and executing proof search at scale. However, existing tooling is often assistant-specific and oriented toward file-level execution, making repository-scale analysis and parallel experimentation challenging. We present ProofWala, a multilingual proof engineering framework built around \texttt{itp-interface}, a reusable library for programmatic interaction with ITPs. For Lean 4, we implement a meta-programmed interaction layer executing inside the elaborator, enabling semantically faithful tactic-level tracing alongside declaration- and dependency-level extraction across entire repositories. This design extends beyond traditional REPL-style interaction by supporting project-wide analysis, environment cloning, and pooled execution of proof states. The same interface abstraction supports multiple versions of Rocq, yielding a unified cross-assistant pipeline. Built on this infrastructure, ProofWala provides standardized multilingual proof datasets, model training utilities, and parallel proof search algorithms. Using the framework, we demonstrate that multilingual training across Lean and Rocq enables cross-lingual and cross-domain transfer. We observe statistically significant improvements on Lean Mathlib and in domain adaptation (CategoryTheory), while other settings exhibit consistent upward trends. We open-source the full framework, parallel proof search module, datasets, and models across two repositories: ProofWala (https://github.com/trishullab/proof-wala) and the itp-interface library (https://github.com/trishullab/itp-interface).
URLs: https://github.com/trishullab/proof-wala), https://github.com/trishullab/itp-interface).
Authors: Iv\'an Arcuschin, Jett Janiak, Robert Krzyzanowski, Senthooran Rajamanoharan, Neel Nanda, Arthur Conmy
Abstract: Recent studies indicate that when faced with explicit biases in prompts, models often omit mentioning these biases in their Chain-of-Thought (CoT) output, revealing that verbalized reasoning can give an incorrect picture of how models arrive at conclusions (unfaithfulness). In this work, we show that unfaithful CoT also occurs on naturally worded, non-adversarial prompts without adding artificial biases or editing model outputs. We find that when separately presented with the questions "Is X bigger than Y?" and "Is Y bigger than X?", models sometimes produce superficially coherent arguments to justify systematically answering Yes to both or No to both, despite the contradiction. We present preliminary evidence that this is due to models' implicit biases towards Yes or No, labeling this Implicit Post-Hoc Rationalization. Our results reveal rates up to 13% for production models, and while frontier models are more faithful, none are entirely so, including thinking models like DeepSeek R1 (0.37%) and Sonnet 3.7 with thinking (0.04%). We also investigate Unfaithful Illogical Shortcuts, where models use subtly illogical reasoning to make speculative answers to hard math problems seem rigorously proven. Our findings indicate that while CoT can be useful for assessing outputs, it is not a complete account of the internal process that produced the model's answer and should be used with caution in agentic or safety-critical settings.
Authors: Julian Cremer, Ross Irwin, Alessandro Tibo, Jon Paul Janet, Simon Olsson, Djork-Arn\'e Clevert
Abstract: We introduce FLOWR, a novel structure-based framework for the generation and optimization of three-dimensional ligands. FLOWR integrates continuous and categorical flow matching with equivariant optimal transport, enhanced by an efficient protein pocket conditioning. Alongside FLOWR, we present SPINDR, a thoroughly curated dataset comprising ligand-pocket co-crystal complexes specifically designed to address existing data quality issues. Empirical evaluations demonstrate that FLOWR surpasses current state-of-the-art diffusion- and flow-based methods in terms of PoseBusters-validity, pose accuracy, and interaction recovery, while offering a significant inference speedup, achieving up to 70-fold faster performance. In addition, we introduce FLOWR:multi, a highly accurate multi-purpose model allowing for the targeted sampling of novel ligands that adhere to predefined interaction profiles and chemical substructures for fragment-based design without the need of re-training or any re-sampling strategies
Authors: M. D. Ruiz-Medina, A. Torres-Signes
Abstract: Under mild conditions, this paper derives a least-squares local linear Fr\'echet curve predictor for response and regressor evaluated in a separable Hilbert space. We obtain the conditions allowing the implementation of this local linear Fr\'echet functional predictor in the ambient L^{2}-space of vector functions, with values in the time-varying tangent space on a compact Riemannian manifold. An intrinsic local linear Fr\'echet curve predictor evaluated in such a manifold is secondly proposed, based on a weighted Fr\'echet mean approach. Its asymptotical optimality is proved. The simulation study and real-data application analyze the finite-sample performance of the empirical versions of both predictors, compared with a geodesic Nadaraya-Watson-type curve predictor. In the real-data application, the functional prediction of the time-varying spherical coordinates of the Earth's magnetic field is addressed, from the observation of the geocentric latitude and longitude of the satellite NASA's MAGSAT spacecraft.
Authors: Haobo Zhang, Jiayu Zhou
Abstract: Fine-tuning large language models (LMs) for individual tasks yields strong performance but is expensive for deployment and storage. Recent works explore model merging to combine multiple task-specific models into a single multi-task model without additional training. However, existing merging methods often fail for models fine-tuned with low-rank adaptation (LoRA), due to significant performance degradation. In this paper, we show that this issue arises from a previously overlooked interplay between model parameters and data distributions. We propose Orthogonal Subspaces for Robust model Merging (OSRM) to constrain the LoRA subspace *prior* to fine-tuning, ensuring that updates relevant to one task do not adversely shift outputs for others. Our approach can seamlessly integrate with most existing merging algorithms, reducing the unintended interference among tasks. Extensive experiments on eight datasets, tested with three widely used LMs and two large LMs, demonstrate that our method not only boosts merging performance but also preserves single-task accuracy. Furthermore, our approach exhibits greater robustness to the hyperparameters of merging. These results highlight the importance of data-parameter interaction in model merging and offer a plug-and-play solution for merging LoRA models.
Authors: Subham Sekhar Sahoo, Zhihan Yang, Yash Akhauri, Johnna Liu, Deepansha Singh, Zhoujun Cheng, Zhengzhong Liu, Eric Xing, John Thickstun, Arash Vahdat
Abstract: Diffusion-based language models offer a compelling alternative to autoregressive (AR) models by enabling parallel and controllable generation. Within this family, Masked Diffusion Models (MDMs) currently perform best but still underperform AR models in perplexity and lack key inference-time efficiency features, most notably KV caching. We introduce Eso-LMs, a new family of models that fuses AR and MDM paradigms, smoothly interpolating between their perplexities while overcoming their respective limitations. Unlike prior work, which uses transformers with bidirectional attention as MDM denoisers, we exploit the connection between MDMs and Any-Order autoregressive models and adopt causal attention. This design lets us compute the exact likelihood of MDMs for the first time and, crucially, enables us to introduce KV caching for MDMs while preserving parallel generation for the first time, significantly improving inference efficiency. Combined with an optimized sampling schedule, Eso-LMs establish a new state of the art on the speed-quality Pareto frontier for unconditional generation. We provide the code, model checkpoints, and the video tutorial on the project page: https://s-sahoo.com/Eso-LMs.
Authors: Hachem Kadri, Joachim Tomasi, Yuka Hashimoto, Sandrine Anthoine
Abstract: Quantum kernel functions built using quantum-mechanical principles and have emerged as a centerpiece of quantum machine learning. The initial enthusiasm for quantum kernel machines has been tempered by recent studies suggesting that quantum kernels could not offer significant computational or statistical advantages when learning from classical data. However, most of the research in this area has been devoted to scalar-valued kernels in standard classification or regression settings for which classical kernel methods are efficient and effective, leaving very little room for improvement with quantum kernels. In this position paper, we argue that progress in this field requires moving beyond scalar-valued kernels toward more expressive kernel frameworks. Scalar-valued kernels lack the degrees of freedom necessary to fully exploit intrinsically quantum resources such as entanglement and are not rich enough to deal with complex learning tasks where classical learning methods struggle. Building on recent advances in operator-valued kernel learning and $C^*$-algebraic kernel representations, we propose a roadmap for designing quantum kernels capable of leveraging entanglement and non-commutative structures to tackle complex structured prediction problems. To support this viewpoint, we present an initial proof-of-concept illustrating how quantum operator-valued kernel formulations can reveal structural dependencies that remain difficult to access for scalar-valued kernel methods. This shift in focus could open a pathway toward a new generation of quantum kernel machines and a more faithful exploration of their potential advantages.
Authors: Emre Kavak, Tom Nuno Wolf, Christian Wachinger
Abstract: Dataset bias often leads deep learning models to exploit spurious correlations instead of task-relevant signals. We introduce the Standard Anti-Causal Model (SAM), a unifying causal framework that characterizes bias mechanisms and yields a conditional independence criterion for causal stability. Building on this theory, we propose DISCO$_m$ and sDISCO, efficient and scalable estimators of conditional distance correlation that enable independence regularization in gradient-based models. Across six diverse datasets, our methods consistently outperform or are competitive in existing observed bias mitigation approaches, while requiring fewer hyperparameters and scaling seamlessly to multi-bias scenarios. This work bridges causal theory and practical deep learning, providing both a principled foundation and effective tools for robust prediction. Source Code: https://github.com/yakamoz5/DISCO.
Authors: Vansh Bansal, Tianyu Chen, James G. Scott
Abstract: The two-sample testing problem, a fundamental task in statistics and machine learning, seeks to determine whether two sets of samples, drawn from underlying distributions $p$ and $q$, are in fact identically distributed (i.e. whether $p=q$). A popular and intuitive approach is the classifier two-sample test (C2ST), where a classifier is trained to distinguish between samples from $p$ and $q$. Yet despite simplicity of the C2ST, its reliability hinges on access to a near-Bayes-optimal classifier, a requirement that is rarely met and difficult to verify. This raises a major open question: can a weak classifier still be useful for two-sample testing? We show that the answer is a definitive yes. Building on the work of Hu and Lei (2024), we analyze two conformal variants of the C2ST that convert the scores from any trained classifier -- even if weak, biased, or overfit -- into exact, finite-sample p-values. We establish two key theoretical properties of the conformal C2ST: (i) finite-sample Type-I error control, and (ii) non-trivial power that degrades gently in tandem with the error of the trained classifier. The upshot is that even poorly performing classifiers can yield powerful and reliable two-sample tests. This general framework finds a powerful application in Bayesian inference, particularly for validating Neural Posterior Estimation (NPE) models, where the task of comparing a learned posterior approximation $q(\theta \mid y)$ to the true posterior $p(\theta \mid y)$ can be framed as a two-sample test. Empirically, the Conformal C2ST outperforms classical discriminative tests across a wide range of benchmarks for this task. Our results establish the conformal C2ST as a practical, theoretically grounded diagnostic tool.
Authors: Simon Baur, Wojciech Samek, Jackie Ma
Abstract: Reliable uncertainty quantification is crucial for trustworthy decision-making and the deployment of AI models in medical imaging. While prior work has explored the ability of neural networks to quantify predictive, epistemic, and aleatoric uncertainties using an information-theoretical approach in synthetic or well defined data settings like natural image classification, its applicability to real life medical diagnosis tasks remains underexplored. In this study, we provide an extensive uncertainty quantification benchmark for multi-label chest X-ray classification using the MIMIC-CXR-JPG dataset. We evaluate 13 uncertainty quantification methods for convolutional (ResNet) and transformer-based (Vision Transformer) architectures across a wide range of tasks. Additionally, we extend Evidential Deep Learning, HetClass NNs, and Deep Deterministic Uncertainty to the multi-label setting. Our analysis provides insights into uncertainty estimation effectiveness and the ability to disentangle epistemic and aleatoric uncertainties, revealing method- and architecture-specific strengths and limitations.
Authors: Yongsheng Chen, Wei Guo, Qi Tang, Xinghui Zhong
Abstract: We introduce a novel data-driven symplectic induced-order modeling (ROM) framework for high-dimensional Hamiltonian systems that unifies latent-space discovery and dynamics learning within a single, end-to-end neural architecture. The encoder-decoder is built from Henon neural networks (HenonNets) and may be augmented with linear SGS-reflector layers. This yields an exact symplectic map between full and latent phase spaces. Latent dynamics are advanced by a symplectic flow map implemented as a HenonNet. This unified neural architecture ensures exact preservation of the underlying symplectic structure at the reduced-order level, significantly enhancing the fidelity and long-term stability of the resulting ROM. We validate our method through comprehensive numerical experiments on canonical Hamiltonian systems. The results demonstrate the method's capability for accurate trajectory reconstruction, robust predictive performance beyond the training horizon, and accurate Hamiltonian preservation. These promising outcomes underscore the effectiveness and potential applicability of our symplectic ROM framework for complex dynamical systems across a broad range of scientific and engineering disciplines.
Authors: Facheng Yu, Ronak Mehta, Alex Luedtke, Zaid Harchaoui
Abstract: Stochastic gradient optimization is the dominant learning paradigm for a variety of scenarios, from classical supervised learning to modern self-supervised learning. We consider stochastic gradient algorithms for learning problems whose objectives rely on unknown nuisance parameters, and establish non-asymptotic convergence guarantees. Our results show that, while the presence of a nuisance can alter the optimum and upset the optimization trajectory, the classical stochastic gradient algorithm may still converge under appropriate conditions, such as Neyman orthogonality. Moreover, even when Neyman orthogonality is not satisfied, we show that an algorithm variant with approximately orthogonalized updates (with an approximately orthogonalized gradient oracle) may achieve similar convergence rates. Examples from orthogonal statistical learning/double machine learning and causal inference are discussed.
Authors: Axel Mezini, Elena Umili, Ivan Donadello, Fabrizio Maria Maggi, Matteo Mancanelli, Fabio Patrizi
Abstract: This paper addresses the problem of suffix prediction in Business Process Management (BPM) by proposing a Neuro-Symbolic Predictive Process Monitoring (PPM) approach that integrates data-driven learning with temporal logic-based prior knowledge. While recent approaches leverage deep learning models for suffix prediction, they often fail to satisfy even basic logical constraints due to the lack of explicit integration of domain knowledge during training. We propose a novel method to incorporate Linear Temporal Logic over finite traces (LTLf) into the training process of autoregressive sequence predictors. Our approach introduces a differentiable logical loss function, defined using a soft approximation of LTLf semantics and the Gumbel-Softmax trick, which can be combined with standard predictive losses. This ensures that the model learns to generate suffixes that are both accurate and logically consistent. Experimental evaluation on three real-world datasets shows that our method improves suffix prediction accuracy and compliance with temporal constraints. We also introduce two variants of the logic loss (local and global) and demonstrate their effectiveness under noisy and realistic settings. While developed in the context of BPM, our framework is applicable to any symbolic sequence generation task and contributes to advancing Neuro-Symbolic AI.
Authors: Guan-Yu Chen, Dong-Yue Xie, Xi Yang
Abstract: We propose a novel randomized framework for the estimation problem of large-scale linear statistical models, namely Sequential Least-Squares Estimators with Fast Randomized Sketching (SLSE-FRS), which integrates Sketch-and-Solve and Iterative-Sketching methods for the first time. By iteratively constructing and solving sketched least-squares (LS) subproblems with increasing sketch sizes to achieve better precisions, SLSE-FRS gradually refines the estimators of the true parameter vector, ultimately producing high-precision estimators. We analyze the convergence properties of SLSE-FRS, and provide its efficient implementation. Numerical experiments show that SLSE-FRS outperforms the state-of-the-art methods, namely the Preconditioned Conjugate Gradient (PCG) method, and the Iterative Double Sketching (IDS) method.
Authors: Ali Reza Ibrahimzada, Brandon Paulsen, Reyhaneh Jabbarvand, Joey Dodds, Daniel Kroening
Abstract: Code translation transforms source code from one programming language (PL) to another. Validating the functional equivalence of translation and repairing, if necessary, are critical steps in code translation. Existing automated validation and repair approaches struggle to generalize to many PLs due to high engineering overhead, and they rely on existing and often inadequate test suites, which results in false claims of equivalence and ineffective translation repair. To bridge this gap, we develop MatchFixAgent, a large language model (LLM)-based, PL-agnostic framework for equivalence validation and repair of translations. MatchFixAgent features a multi-agent architecture that divides equivalence validation into several sub-tasks to ensure thorough and consistent semantic analysis of the translation. We compare MatchFixAgent's validation and repair results with four repository-level code translation techniques. Our results demonstrate that MatchFixAgent produces (in)equivalence verdicts for 99.2% of translation pairs, with the same equivalence validation result as prior work on 72.8% of them. When MatchFixAgent's result disagrees with prior work, we find that 60.7% of the time MatchFixAgent's result is actually correct. In addition, we show that MatchFixAgent can repair 50.6% of inequivalent translation, compared to prior work's 18.5%.
Authors: Alessandro Saviolo, Jeffrey Mao, Giuseppe Loianno
Abstract: Search and rescue operations require unmanned aerial vehicles to both traverse unknown unstructured environments at high speed and track targets once detected. Achieving both capabilities under degraded sensing and without global localization remains an open challenge. Recent works on relative navigation have shown robust tracking by anchoring planning and control to a visible detected object, but cannot address navigation when no target is in the field of view. We present HUNT (High-speed UAV Navigation and Tracking), a real-time framework that unifies traversal, acquisition, and tracking within a single relative formulation. HUNT defines navigation objectives directly from onboard instantaneous observables such as attitude, altitude, and velocity, enabling reactive high-speed flight during search. Once a target is detected, the same perception-control pipeline transitions seamlessly to tracking. Outdoor experiments in dense forests, container compounds, and search-and-rescue operations with vehicles and mannequins demonstrate robust autonomy where global methods fail.
Authors: Lukas Rauch, Ren\'e Heinrich, Houtan Ghaffari, Lukas Miklautz, Ilyass Moummad, Bernhard Sick, Christoph Scholz
Abstract: Although probing frozen models has become a standard evaluation paradigm, self-supervised learning in audio defaults to fine-tuning when pursuing state-of-the-art on AudioSet. A key reason is that global pooling creates an information bottleneck causing linear probes to misrepresent the embedding quality: The $\texttt{cls}$-token discards crucial token information about dispersed, localized events in audio. This weakness is rooted in the mismatch between the pretraining objective (globally) and the downstream task (localized). Across a comprehensive benchmark of 13 datasets and 6 spectrogram-based encoders, we investigate the global pooling bottleneck. We introduce binarized prototypical probes: a lightweight and simple pooling method that learns prototypes to perform class-wise information aggregation. Despite its simplicity, our method notably outperforms linear and attentive probing. Our work establishes probing as a competitive and efficient paradigm for evaluating audio SSL models, challenging the reliance on costly fine-tuning.
Authors: Simon Welker, Lorenz Kuger, Tim Roith, Berthy Feng, Martin Burger, Timo Gerkmann, Henry Chapman
Abstract: In this work, we present and investigate the novel blind inverse problem of position-blind ptychography, i.e., ptychographic phase retrieval without any knowledge of scan positions, which then must be recovered jointly with the image. The motivation for this problem comes from single-particle diffractive X-ray imaging, where particles in random orientations are illuminated and a set of diffraction patterns is collected. If one uses a highly focused X-ray beam, the measurements would also become sensitive to the beam positions relative to each particle and therefore ptychographic, but these positions are also unknown. We investigate the viability of image reconstruction in a simulated, simplified 2-D variant of this difficult problem, using variational inference with modern data-driven image priors in the form of score-based diffusion models. We find that, with the right illumination structure and a strong prior, one can achieve reliable and successful image reconstructions even under measurement noise, in all except the most difficult evaluated imaging scenario.
Authors: Sanghyu Yoon, Dongmin Kim, Suhee Yoon, Ye Seul Sim, Seungdong Yoa, Hye-Seung Cho, Soonyoung Lee, Hankook Lee, Woohyung Lim
Abstract: In tabular anomaly detection (AD), textual semantics often carry critical signals, as the definition of an anomaly is closely tied to domain-specific context. However, existing benchmarks provide only raw data points without semantic context, overlooking rich textual metadata such as feature descriptions and domain knowledge that experts rely on in practice. This limitation restricts research flexibility and prevents models from fully leveraging domain knowledge for detection. ReTabAD addresses this gap by restoring textual semantics to enable context-aware tabular AD research. We provide (1) 20 carefully curated tabular datasets enriched with structured textual metadata, together with implementations of state-of-the-art AD algorithms including classical, deep learning, and LLM-based approaches, and (2) a zero-shot LLM framework that leverages semantic context without task-specific training, establishing a strong baseline for future research. Furthermore, this work provides insights into the role and utility of textual metadata in AD through experiments and analysis. Results show that semantic context improves detection performance and enhances interpretability by supporting domain-aware reasoning. These findings establish ReTabAD as a benchmark for systematic exploration of context-aware AD.
Authors: Yannis Montreuil, Letian Yu, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-Defer (L2D) enables hybrid decision-making by routing inputs either to a predictor or to external experts. While promising, L2D is highly vulnerable to adversarial perturbations, which can not only flip predictions but also manipulate deferral decisions. Prior robustness analyses focus solely on two-stage settings, leaving open the end-to-end (one-stage) case where predictor and allocation are trained jointly. We introduce the first framework for adversarial robustness in one-stage L2D, covering both classification and regression. Our approach formalizes attacks, proposes cost-sensitive adversarial surrogate losses, and establishes theoretical guarantees including $\mathcal{H}$, $(\mathcal{R }, \mathcal{F})$, and Bayes consistency. Experiments on benchmark datasets confirm that our methods improve robustness against untargeted and targeted attacks while preserving clean performance.
Authors: Gabriel Fiastre, Antoine Yang, Cordelia Schmid
Abstract: Dense Video Object Captioning (DVOC) is the task of jointly detecting, tracking, and captioning object trajectories in a video, requiring the ability to understand spatio-temporal details and describe them in natural language. Due to the complexity of the task and the high cost associated with manual annotation, previous approaches resort to training strategies with limited data, potentially leading to suboptimal performance. To circumvent this issue, we propose to generate captions about spatio-temporally localized entities leveraging a state-of-the-art VLM, and extend the LVIS and LV-VIS datasets with our synthetic captions (LVISCap and LV-VISCap). Moreover, we introduce an end-to-end model, CaptionFormer, capable of jointly detecting, segmenting, tracking and captioning object trajectories. CaptionFormer achieves state-of-the-art DVOC results on three existing benchmarks, VidSTG, VLN and BenSMOT. The datasets and code are available at https://www.gabriel.fiastre.fr/captionformer/.
Authors: Ritik Sareen, Akram Youssry, Alberto Peruzzo
Abstract: State preparation is a cornerstone of quantum technologies, underpinning applications in computation, communication, and sensing. Its importance becomes even more pronounced in non-Markovian open quantum systems, where environmental memory and model uncertainties pose significant challenges to achieving high-fidelity control. Invariant-based inverse engineering provides a principled framework for synthesizing analytic control fields, yet existing parameterizations often lead to experimentally infeasible, singular pulses and are limited to simplified noise models such as those of Lindblad form. Here, we introduce a generalized invariant-based protocol for finite-dimensional state preparation under arbitrary noise conditions. We transform the finite-dimensional control problem into the equivalent problem for a single-qubit, by restricting the dynamics to a designed SU(2) subspace. The control protocol then proceeds in two-stages: first, we construct a family of bounded pulses that achieve perfect state preparation in a closed system; second, we identify the optimal member of this family that minimizes the effect of noise. The framework accommodates both (i) characterized noise, enabling noise-aware control synthesis, and (ii) uncharacterized noise, where a noise-agnostic variant preserves robustness without requiring a master-equation description. Numerical simulations demonstrate high-fidelity state preparation across diverse targets while producing smooth, hardware-feasible control fields. This singularity-free framework extends invariant-based control to realistic open-system regimes, providing a versatile route toward robust quantum state engineering on NISQ hardware and other platforms exhibiting non-Markovian dynamics.
Authors: Zheng Wang, Yi Zhang, Siddartha Khastgir, Carsten Maple, Xingyu Zhao
Abstract: Deep learning (DL) models, despite their remarkable success, remain vulnerable to small input perturbations that can cause erroneous outputs, motivating the recent proposal of probabilistic robustness (PR) as a complementary alternative to adversarial robustness (AR). However, existing PR formulations assume a fixed and known perturbation distribution, an unrealistic expectation in practice. To address this limitation, we propose non-parametric probabilistic robustness (NPPR), a more practical PR metric that does not rely on any predefined perturbation distribution. Following the non-parametric paradigm in statistical modeling, NPPR learns an optimized perturbation distribution directly from data, enabling conservative PR evaluation under distributional uncertainty. We further develop an NPPR estimator based on a Gaussian Mixture Model (GMM), covering various input-dependent and input-independent perturbation scenarios. Theoretical analyses establish the relationships among AR, PR, and NPPR. Extensive experiments on CIFAR-10, CIFAR-100, and Tiny ImageNet across ResNet18/50, WideResNet50 and VGG16 validate NPPR as a more practical robustness metric, showing conservative (lower) PR estimates compared to assuming those common perturbation distributions used in state-of-the-arts.
Authors: Dimitri Meunier, Jakub Wornbard, Vladimir R. Kostic, Antoine Moulin, Alek Fr\"ohlich, Karim Lounici, Massimiliano Pontil, Arthur Gretton
Abstract: We address the problem of causal effect estimation in the presence of hidden confounders using nonparametric instrumental variable (IV) regression. An established approach is to use estimators based on learned spectral features, that is, features spanning the top singular subspaces of the operator linking treatments to instruments. While powerful, such features are agnostic to the outcome variable. Consequently, the method can fail when the true causal function is poorly represented by these dominant singular functions. To mitigate, we introduce Augmented Spectral Feature Learning, a framework that makes the feature learning process outcome-aware. Our method learns features by minimizing a novel contrastive loss derived from an augmented operator that incorporates information from the outcome. By learning these task-specific features, our approach remains effective even under spectral misalignment. We provide a theoretical analysis of this framework and validate our approach on challenging benchmarks.
Authors: Antonio Varagnolo, Giuseppe Romano, Rapha\"el Pestourie
Abstract: Designing materials with controlled heat flow at the nano-scale is central to advances in microelectronics, thermoelectrics, and energy-conversion technologies. At these scales, phonon transport follows the Boltzmann Transport Equation (BTE), which captures non-diffusive (ballistic) effects but is too costly to solve repeatedly in inverse-design loops. Existing surrogate approaches trade speed for accuracy: fast macroscopic solvers can overestimate conductivities by hundreds of percent, while recent data-driven operator learners often require thousands of high-fidelity simulations. This creates a need for a fast, data-efficient surrogate that remains reliable across ballistic and diffusive regimes. We introduce a Physics-Enhanced Deep Surrogate (PEDS) that combines a differentiable Fourier solver with a neural generator and couples it with uncertainty-driven active learning. The Fourier solver acts as a physical inductive bias, while the network learns geometry-dependent corrections and a mixing coefficient that interpolates between macroscopic and nano-scale behavior. PEDS reduces training-data requirements by up to 70% compared with purely data-driven baselines, achieves roughly 5% fractional error with only 300 high-fidelity BTE simulations, and enables efficient design of porous geometries spanning 12-85 W m$^{-1}$ K$^{-1}$ with average design errors of 4%. The learned mixing parameter recovers the ballistic-diffusive transition and improves out of distribution robustness. These results show that embedding simple, differentiable low-fidelity physics can dramatically increase surrogate data-efficiency and interpretability, making repeated PDE-constrained optimization practical for nano-scale thermal-materials design.
Authors: Sacha Braun, David Holzm\"uller, Michael I. Jordan, Francis Bach
Abstract: Evaluating conditional coverage remains one of the most persistent challenges in assessing the reliability of predictive systems. Although conformal methods can give guarantees on marginal coverage, no method can guarantee to produce sets with correct conditional coverage, leaving practitioners without a clear way to interpret local deviations. To overcome sample-inefficiency and overfitting issues of existing metrics, we cast conditional coverage estimation as a classification problem. Conditional coverage is violated if and only if some classifier can achieve lower risk than the target coverage. Through the choice of a (proper) loss function, the resulting risk difference gives a conservative estimate of natural miscoverage measures such as L1 and L2 distance, and can even separate the effects of over- and under-coverage, and non-constant target coverages. We call the resulting family of metrics excess risk of the target coverage (ERT). We show experimentally that the use of modern classifiers provides much higher statistical power than simple classifiers underlying established metrics like CovGap. Additionally, we use our metric to benchmark different conformal prediction methods. Finally, we release an open-source package for ERT as well as previous conditional coverage metrics. Together, these contributions provide a new lens for understanding, diagnosing, and improving the conditional reliability of predictive systems.
Authors: Yoon Pyo Lee, Samrendra Roy, Kazuma Kobayashi, Sajedul Talukder, Diab Abueidda, Seid Koric, Souvik Chakraborty, Syed Bahauddin Alam
Abstract: The prevailing paradigm in AI for physical systems: scaling general-purpose foundation models toward universal multimodal reasoning, confronts a barrier at the control interface. Frontier vision-language models achieve only 50-53% accuracy on basic quantitative physics tasks, behaving as approximate guessers that preserve semantic plausibility while violating physical constraints. Safety-critical control demands outcome-space guarantees over executed actions, not parameter-space imitation. Here we present a pathway toward domain-specific foundation models through compact language models operating as Agentic Physical AI: policy optimization driven by physics-based simulator validation rather than perceptual inference. We train a 360M-parameter model on synthetic nuclear reactor scenarios scaled from 10^3 to 10^5 examples. Scaling produces strong, regime-dependent reliability gains under nominal simulated conditions, with variance collapse of approximately 500x and elimination of >10% terminal-power excursions on the sampled distribution. Despite balanced exposure to four actuation families, the model concentrates 95% of runtime execution on a single-bank strategy, without reinforcement learning or reward engineering. Representations transfer across simulators without architectural change. We position the system as a candidate decision component within a verification, monitoring, and defense-in-depth architecture, not as a stand-alone safety solution: the demonstrated behavior speaks to closed-loop reliability on a single-step task in simulation and does not yet address off-nominal operation, sensor faults, or uncertainty quantification.
Authors: Federico Baldo, Charles K. Assaad
Abstract: Most causal discovery methods recover a completed partially directed acyclic graph representing a Markov equivalence class from observational data. Recent work has extended these methods to federated settings to address data decentralization and privacy constraints, but often under idealized assumptions that all clients share the same causal model. Such assumptions are unrealistic in practice, as client-specific policies or protocols, for example, across hospitals, naturally induce heterogeneous and unknown interventions. In this work, we address federated causal discovery under unknown client-level interventions. We propose I-PERI, a novel federated algorithm that first recovers the CPDAG of the union of client graphs and then orients additional edges by exploiting structural differences induced by interventions across clients. This yields a tighter equivalence class, which we call the $\mathbf{\Phi}$-Markov Equivalence Class, represented by the $\mathbf{\Phi}$-CPDAG. We provide theoretical guarantees on the convergence of I-PERI, as well as on its privacy-preserving properties, and present empirical evaluations on synthetic data demonstrating the effectiveness of the proposed algorithm.
Authors: Wentao Bian, Fenglei Xu
Abstract: In this paper, we revisit multimodal few-shot 3D point cloud semantic segmentation (FS-PCS), identifying a conflict in "Fuse-then-Refine" paradigms: the "Plasticity-Stability Dilemma." In addition, CLIP's inter-class confusion can result in semantic blindness. To address these issues, we present the Decoupled-experts Arbitration Few-Shot SegNet (DA-FSS), a model that effectively distinguishes between semantic and geometric paths and mutually regularizes their gradients to achieve better generalization. DA-FSS employs the same backbone and pre-trained text encoder as MM-FSS to generate text embeddings, which can increase free modalities' utilization rate and better leverage each modality's information space. To achieve this, we propose a Parallel Expert Refinement module to generate each modal correlation. We also propose a Stacked Arbitration Module (SAM) to perform convolutional fusion and arbitrate correlations for each modality pathway. The Parallel Experts decouple two paths: a Geometric Expert maintains plasticity, and a Semantic Expert ensures stability. They are coordinated via a Decoupled Alignment Module (DAM) that transfers knowledge without propagating confusion. Experiments on popular datasets (S3DIS, ScanNet) demonstrate the superiority of DA-FSS over MM-FSS. Meanwhile, geometric boundaries, completeness, and texture differentiation are all superior to the baseline. The code is available at: https://github.com/MoWenQAQ/DA-FSS/.
Authors: Priyanka Mary Mammen, Emil Joswin, Shankar Venkitachalam
Abstract: Prior research demonstrates that performance of language models on reasoning tasks can be influenced by suggestions, hints and endorsements. However, the influence of endorsement source credibility remains underexplored. We investigate whether language models exhibit systematic bias based on the perceived expertise of the provider of the endorsement. Across 4 datasets spanning mathematical, legal, and medical reasoning, we evaluate 11 models using personas representing four expertise levels per domain. Our results reveal that models are increasingly susceptible to incorrect/misleading endorsements as source expertise increases, with higher-authority sources inducing not only accuracy degradation but also increased confidence in wrong answers. We also show that this authority bias is mechanistically encoded within the model and a model can be steered away from the bias, thereby improving its performance even when an expert gives a misleading endorsement.
Authors: Esteban G\'omez, Tom Backstr\"om
Abstract: In speech machine learning, neural network models are typically designed by choosing an architecture with fixed layer sizes and structure. These models are then trained to maximize performance on metrics aligned with the task's objective. While the overall architecture is usually guided by prior knowledge of the task, the sizes of individual layers are often chosen heuristically. However, this approach does not guarantee an optimal trade-off between performance and computational complexity; consequently, post hoc methods such as weight quantization or model pruning are typically employed to reduce computational cost. This occurs because stochastic gradient descent (SGD) methods can only optimize differentiable functions, while factors influencing computational complexity, such as layer sizes and floating-point operations per second (FLOP/s), are non-differentiable and require modifying the model structure during training. We propose a reparameterization technique based on feature noise injection that enables joint optimization of performance and computational complexity during training using SGD-based methods. Unlike traditional pruning methods, our approach allows the model size to be dynamically optimized for a target performance-complexity trade-off, without relying on heuristic criteria to select which weights or structures to remove. We demonstrate the effectiveness of our method through three case studies, including a synthetic example and two practical real-world applications: voice activity detection and audio anti-spoofing. The code related to our work is publicly available to encourage further research.
Authors: Jonas Elsborg, Felix {\AE}rtebjerg, Luca Thiede, Al\'an Aspuru-Guzik, Tejs Vegge, Arghya Bhowmik
Abstract: We introduce ELECTRAFI, a fast, end-to-end differentiable model for predicting periodic charge densities in crystalline materials. ELECTRAFI constructs anisotropic Gaussians in real space and exploits their closed-form Fourier transforms to analytically evaluate plane-wave coefficients via the Poisson summation formula. This formulation delegates non-local and periodic behavior to analytic transforms, enabling reconstruction of the full periodic charge density with a single inverse FFT. By avoiding explicit real-space grid probing, periodic image summation, and spherical harmonic expansions, ELECTRAFI matches or exceeds state-of-the-art accuracy across periodic benchmarks while being up to $633 \times$ faster than the strongest competing method, reconstructing crystal charge densities in a fraction of a second. When used to initialize DFT calculations, ELECTRAFI reduces total DFT compute cost by up to ~20%, whereas slower charge density models negate savings due to high inference times. Our results show that accuracy and inference cost jointly determine end-to-end DFT speedups, and motivate our focus on efficiency.
Authors: Abhishek Chakraborty, Angelia Nedi\'c
Abstract: We consider minimizing an objective function subject to constraints defined by the intersection of lower-level sets of convex functions. We study two cases: (i) strongly convex and Lipschitz-smooth objective function and (ii) convex but possibly nonsmooth objective function. To deal with the constraints that are not easy to project on, we use a randomized feasibility algorithm with Polyak steps and a random number of sampled constraints per iteration, while taking (sub)gradient steps to minimize the objective function. For case (i), we prove linear convergence in expectation of the objective function values to any prescribed tolerance using an adaptive stepsize. For case (ii), we develop a fully problem parameter-free and adaptive stepsize scheme that yields an $O(1/\sqrt{T})$ worst-case rate in expectation. The infeasibility of the iterates decreases geometrically with the number of feasibility updates almost surely, while for the averaged iterates, we establish an expected lower bound on the function values relative to the optimal value that depends on the distribution for the random number of sampled constraints. For certain choices of sample-size growth, optimal rates are achieved. Finally, simulations on a Quadratically Constrained Quadratic Programming (QCQP) problem, Support Vector Machines (SVM), and logistic regression with group fairness constraints demonstrate the computational efficiency of our algorithm compared to other state-of-the-art methods.
Authors: Ethan Shen, Daniel Tormoen, Saurabh Shah, Ali Farhadi, Tim Dettmers
Abstract: Open-weight coding agents should hold a fundamental advantage over closed-source systems because they can specialize to private codebases, encoding repository-specific information directly in their weights. Yet the cost and complexity of training has kept this advantage theoretical until now. We present Soft-Verified Efficient Repository Agents (SERA), an efficient method for training coding agents that enables the rapid and cheap creation of agents specialized to private codebases. Using Soft Verified Generation (SVG), we generate thousands of trajectories from any code repository, without requiring unit tests. Beyond repository specialization, we apply SVG to a larger corpus of codebases, generating 200,000+ synthetic trajectories. Using only supervised finetuning (SFT), SERA achieves leading results among fully open-source (open data, method, code) models while matching the performance of open-weight models like Devstral-Small-2. Creating SERA models is 26x cheaper than reinforcement learning and 57x cheaper than previous synthetic data methods to reach equivalent performance. We use our dataset to provide detailed analysis of scaling laws, ablations, and confounding factors for training coding agents. Overall, we believe our work will greatly accelerate research on open coding agents and showcase the advantage of open-source models that can adapt to private codebases. We release SERA as the first model in Ai2's Open Coding Agents series, along with all our code, data, and Claude Code integration to support the research community.
Authors: Zijie Xu, Zihan Huang, Yiting Dong, Kang Chen, Wenxuan Liu, Zhaofei Yu
Abstract: Spiking Neural Networks (SNNs) can achieve competitive performance by converting already existing well-trained Artificial Neural Networks (ANNs), avoiding further costly training. This property is particularly attractive in Reinforcement Learning (RL), where training through environment interaction is expensive and potentially unsafe. However, existing conversion methods perform poorly in continuous control, where suitable baselines are largely absent. We identify error amplification as the key cause: small action approximation errors become temporally correlated across decision steps, inducing cumulative state distribution shift and severe performance degradation. To address this issue, we propose Cross-Step Residual Potential Initialization (CRPI), a lightweight gradient-free mechanism that carries over residual membrane potentials across decision steps to suppress temporally correlated errors. Experiments on continuous control benchmarks with both vector and visual observations demonstrate that CRPI can be integrated into existing conversion pipelines and substantially recovers lost performance. Our results highlight continuous control as a critical and challenging benchmark for ANN-to-SNN conversion, where small errors can be strongly amplified and impact performance. Code is available at https://github.com/xuzijie32/ANN2SNN-CRPI.
Authors: Dongwon Jo, Beomseok Kang, Jiwon Song, Jae-Joon Kim
Abstract: The quadratic complexity of attention remains the central bottleneck in long-context inference for large language models. Prior acceleration methods either sparsify the attention map with structured patterns or permanently evict tokens at specific layers, which can retain irrelevant tokens or rely on irreversible early decisions despite the layer-/head-wise dynamics of token importance. In this paper, we propose Token Sparse Attention, a lightweight and dynamic token-level sparsification mechanism that compresses per-head $Q$, $K$, $V$ to a reduced token set during attention and then decompresses the output back to the original sequence, enabling token information to be reconsidered in subsequent layers. Furthermore, Token Sparse Attention exposes a new design point at the intersection of token selection and sparse attention. Our approach is fully compatible with dense attention implementations, including Flash Attention, and can be seamlessly composed with existing sparse attention kernels. Experimental results show that Token Sparse Attention consistently improves accuracy-latency trade-off, achieving up to $\times$3.23 attention speedup at 128K context with less than 1% accuracy degradation. These results demonstrate that dynamic and interleaved token-level sparsification is a complementary and effective strategy for scalable long-context inference.
Authors: Michael Ibrahim, Hanqi Zhao, Eli Sennesh, Zhi Li, Anqi Wu, Jacob L. Yates, Chengrui Li, Hadi Vafaii
Abstract: Poisson-distributed latent variable models are widely used in computational neuroscience, but differentiating through discrete stochastic samples remains challenging. Two approaches address this: *Exponential Arrival Time* (EAT) simulation and *Gumbel-SoftMax* (GSM) relaxation. We provide the first systematic comparison of these methods, along with practical guidance for practitioners. Our main technical contribution is a modification to the EAT method that theoretically guarantees an unbiased first moment (exactly matching the firing rate), and reduces second-moment bias. We evaluate these methods on their distributional fidelity, gradient quality, and performance on two tasks: (1) variational autoencoders with Poisson latents, and (2) partially observable generalized linear models, where latent neural connectivity must be inferred from observed spike trains. Across all metrics, our modified EAT method exhibits better overall performance (often comparable to exact gradients), and substantially higher robustness to hyperparameter choices. These results extend to over-dispersed Negative Binomial latents, where modified EAT again performs best. However, only GSM generalizes to arbitrary non-Poisson distributions, including the under-dispersed regime. Together, our results clarify the trade-offs between these methods and offer concrete recommendations for practitioners working with Poisson latent variable models.
Authors: Archiki Prasad, Mandar Joshi, Kenton Lee, Mohit Bansal, Peter Shaw
Abstract: Chain-of-thought (CoT) reasoning and its variants have substantially improved the performance of language models on complex reasoning tasks, yet the precise mechanisms by which different strategies facilitate generalization remain poorly understood. While current explanations often point to increased test-time computation or structural guidance, establishing a consistent, quantifiable link between these factors and generalization remains challenging. In this work, we identify intrinsic dimensionality as a quantitative measure for characterizing the effectiveness of reasoning chains. Intrinsic dimensionality quantifies the minimum number of model dimensions needed to reach a given accuracy threshold on a given task. By keeping the model architecture fixed and varying the task formulation through different reasoning strategies, we demonstrate that effective reasoning strategies consistently reduce the intrinsic dimensionality of the task. Validating this on GSM8K with Gemma-3 1B and 4B, we observe a strong inverse correlation between the intrinsic dimensionality of a reasoning strategy and its generalization performance on both in-distribution and out-of-distribution data. Our findings suggest that effective reasoning chains facilitate learning by better compressing the task using fewer parameters, offering a new quantitative metric for analyzing reasoning processes.
Authors: Can Polat, Erchin Serpedin, Mustafa Kurban, Hasan Kurban
Abstract: Every generative model for crystalline materials harbors a critical structure size beyond which its outputs become unreliable; we call this the extrapolation frontier. Despite its consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of ~75,000 crystal-derived nanoparticle structures (33-11,298 atoms) that treats radius as a continuous scaling knob, tracing generation quality from in- to out-of-distribution under leakage-free splits. Each model is conditioned on target composition and atom count, isolating geometric extrapolation as the evaluation variable. RADII provides frontier-specific diagnostics: per-radius error profiles pinpoint each architecture's scaling ceiling, surface-interior decomposition separates boundary from bulk failures, and cross-metric sequencing reveals which aspect of structural fidelity breaks first. Benchmarking five state-of-the-art architectures, we find that: (i) well-behaved models degrade by ~13% in global positional error beyond training radii, while divergent models show poor fidelity across scales, with local bond fidelity ranging from negligible degradation to over 2x error growth; (ii) no two architectures share a failure sequence, revealing the frontier as a multi-dimensional surface shaped by model family; and (iii) well-behaved models follow the expected geometric scaling exponent alpha ~ 1/3, whose in-distribution fit predicts out-of-distribution error, making frontiers forecastable. Scaling MatterGen to its published parameter count stabilizes sampling but does not close the frontier, while DiffCSP remains unstable at published scale. These findings establish output scale as a first-class evaluation axis for geometric generative models. Code and data: https://github.com/KurbanIntelligenceLab/RADII.
Authors: Chen Cheng, Rina Foygel Barber
Abstract: We examine the connection between training error and generalization error for arbitrary estimating procedures, working in an overparameterized linear model under general priors in a Bayesian setup. We find determining factors inherent to the prior distribution $\pi$, giving explicit conditions under which optimal generalization necessitates that the training error be (i) near interpolating relative to the noise size (i.e., memorization is necessary), or (ii) close to the noise level (i.e., overfitting is harmful). Remarkably, these phenomena occur when the noise reaches thresholds determined by the Fisher information and the variance parameters of the prior $\pi$.
Authors: Yizhou Zhang, Eric Mazumdar
Abstract: Learning stationary policies in infinite-horizon general-sum Markov games (MGs) remains a fundamental open problem in Multi-Agent Reinforcement Learning (MARL). While stationary strategies are preferred for their practicality, computing stationary forms of classic game-theoretic equilibria is computationally intractable -- a stark contrast to the comparative ease of solving single-agent RL or zero-sum games. To bridge this gap, we study Risk-averse Quantal response Equilibria (RQE), a solution concept rooted in behavioral game theory that incorporates risk aversion and bounded rationality. We demonstrate that RQE possesses strong regularity conditions that make it uniquely amenable to learning in MGs. We propose a novel single-timescale Actor-Critic algorithm characterized by a faster actor and a slower critic. Leveraging the regularity of RQE, we prove that this approach achieves global convergence with finite-sample guarantees. We empirically validate our algorithm in several environments to demonstrate superior convergence properties compared to risk-neutral baselines.
Authors: Houtan Ghaffari, Lukas Rauch, Christoph Scholz, Paul Devos
Abstract: Probing is widely adopted in computer vision to faithfully evaluate self-supervised learning (SSL) embeddings, as finetuning may misrepresent their inherent quality. In contrast, audio SSL models still rely on finetuning because simple probing fails to unlock their full potential and alters their rankings when competing on AudioSet. Hence, a robust and efficient probing mechanism is required to guide the trajectory of audio SSL towards reliable and reproducible methods. We introduce Convex Gated Probing (CGP), a prototype-based method that significantly closes the gap between finetuning and probing in audio. CGP efficiently utilizes all frozen layers via a gating mechanism and exposes the location of latent task-relevant information. Guided by CGP as a reliable post-hoc evaluation probe, we rework the entire SSL pipeline of current best performing audio models that use legacy implementations of prior SSL methods. By refining data preprocessing, model architecture, and pretraining recipe, we introduce Better Audio Transformer (BAT), and establish new SOTA on audio benchmarks.
Authors: Nail B. Khelifa, Richard E. Turner, Ramji Venkataramanan
Abstract: Machine learning models are increasingly trained or fine-tuned on synthetic data. Recursively training on such data has been observed to significantly degrade performance in a wide range of tasks, often characterized by a progressive drift away from the target distribution. In this work, we theoretically analyze this phenomenon in the setting of score-based diffusion models. For a realistic pipeline where each training round uses a combination of synthetic data and fresh samples from the target distribution, we obtain upper and lower bounds on the accumulated divergence between the generated and target distributions. Notably, to the best of our knowledge, this is the first lower bound on the divergence between the learned and target distributions, even for standard diffusion models. Our results allow us to characterize different regimes of drift, depending on the score estimation error and the proportion of fresh data used in each generation. In a certain regime, the accumulated divergence after several retraining rounds can be expressed as a discounted sum of score estimation errors made at each generation. We also provide empirical results on synthetic data and images to illustrate the theory.
Authors: Alhad Sethi, Kavali Sofia Sagar, Shubhada Agrawal, Debabrota Basu, P. N. Karthik
Abstract: We study one-sided and $\alpha$-correct sequential hypothesis testing for data generated by an ergodic, finite-state Markov chain. The null hypothesis is that the unknown transition matrix belongs to a prescribed set $P$ of stochastic matrices, and the alternative corresponds to a disjoint set $Q$. We establish a non-asymptotic instance-dependent lower bound on the expected stopping time of any valid sequential test under the alternative, which is asymptotically tight. Our novel analysis improves the existing lower bounds, which are either asymptotic or provably sub-optimal in this setting. Our lower bound incorporates both the stationary distribution and the transition structure induced by the unknown Markov chain. We further propose an optimal test whose expected stopping time matches this lower bound asymptotically as $\alpha \to 0$. We illustrate the usefulness of our framework through applications to sequential detection of model misspecification in Markov Chain Monte Carlo and to testing structural properties, such as the linearity of transition dynamics, in Markov decision processes. Our findings yield a sharp and general characterization of optimal sequential testing procedures under Markovian dependence.
Authors: Yinhan He, Yaochen Zhu, Mingjia Shi, Wendy Zheng, Lin Su, Xiaoqing Wang, Qi Guo, Jundong Li
Abstract: Large language models increasingly rely on long chains of thought to improve accuracy, yet such gains come with substantial inference-time costs. We revisit token-efficient post-training and argue that existing sequence-level reward-shaping methods offer limited control over how reasoning effort is allocated across tokens. To bridge the gap, we propose IAPO, an information-theoretic post-training framework that assigns token-wise advantages based on each token's conditional mutual information (MI) with the final answer. This yields an explicit, principled mechanism for identifying informative reasoning steps and suppressing low-utility exploration. We provide a theoretical analysis showing that our IAPO can induce monotonic reductions in reasoning verbosity without harming correctness. Empirically, IAPO consistently improves reasoning accuracy while reducing reasoning length by up to 36%, outperforming existing token-efficient RL methods across various reasoning datasets. Extensive empirical evaluations demonstrate that information-aware advantage shaping is a powerful and general direction for token-efficient post-training. The code is available at https://github.com/YinhanHe123/IAPO.
Authors: Ziyi Yang, Zitong Tian, Yinjun Jia, Tianyi Zhang, Jiqing Zheng, Hao Wang, Yubu Su, Juncai He, Lei Liu, Yanyan Lan
Abstract: D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptide binders remains largely unexplored. In this work, we show that by injecting axial features to $E(3)$-equivariant (polar) vector features, it is feasible to achieve cross-chirality generalization from homo-chiral (L--L) training data to hetero-chiral (D--L) design tasks. By implementing this method within a latent diffusion model, we achieved D-peptide binder design that not only outperforms existing tools in \textit{in silico} benchmarks, but also demonstrates efficacy in wet-lab validation. To our knowledge, our approach represents the first wet-lab validated generative AI for the \textit{de novo} design of D-peptide binders, offering new perspectives on handling chirality in protein design. Codes are available at https://github.com/YZY010418/PepMirror
Authors: Arnab Maiti, Junyan Liu, Kevin Jamieson, Lillian J. Ratliff
Abstract: We study the discrete Bertrand pricing game with a non-increasing demand function. The game has $n \ge 2$ players who simultaneously choose prices from the set $\{1/k, 2/k, \ldots, 1\}$, where $k\in\mathbb{N}$. The player who sets the lowest price captures the entire demand; if multiple players tie for the lowest price, they split the demand equally. We study the Bertrand paradox, where classical theory predicts low prices, yet real markets often sustain high prices. To understand this gap, we analyze a repeated-game model in which firms set prices using no-regret learners. Our goal is to characterize the equilibrium outcomes that can arise under different no-regret learning guarantees. We are particularly interested in questions such as whether no-external-regret learners can converge to undesirable high-price outcomes, and how stronger guarantees such as no-swap regret shape the emergence of competitive low-price behavior. We address these and related questions through a theoretical analysis, complemented by experiments that support the theory and reveal surprising phenomena for no-swap regret learners.
Authors: Jiayi Nie, Haoran Wu, Yao Lai, Zeyu Cao, Cheng Zhang, Binglei Lou, Erwei Wang, Jianyi Cheng, Timothy M. Jones, Robert Mullins, Rika Antonova, Yiren Zhao
Abstract: New AI accelerators with novel instruction set architectures (ISAs) often require developers to manually craft low-level kernels, a time-consuming and error-prone process that does not scale across hardware targets. This delays emerging hardware platforms from reaching the market. While prior LLM-based code generation has shown promise in mature GPU ecosystems, it remains unclear whether agentic LLM systems can quickly produce valid and efficient kernels for emerging hardware with new ISAs. We present KernelCraft: the first benchmark for evaluating an LLM agent's ability to generate and optimize low-level kernels for customized accelerators through a function-calling, feedback-driven workflow. We evaluate agent performance across three emerging accelerators on more than 20 machine-learning tasks, each with five diverse task configurations. Across four leading reasoning models, the strongest agents generate functionally correct kernels for unseen ISAs within a few refinement steps and produce optimized kernels that match or outperform compiler baselines. These results demonstrate KernelCraft's potential to accelerate the accelerator chip development cycle. KernelCraft is available at https://kernelcraft-cam.github.io/.
Authors: Robin Hesse, Simone Schaub-Meyer, Janina Hesse, Bernt Schiele, Stefan Roth
Abstract: Explainable artificial intelligence (XAI) aims to provide human-interpretable insights into the behavior of deep neural networks (DNNs), typically by estimating a simplified causal structure of the model. In existing work, this causal structure often includes relationships where the presence of a concept is associated with a strong activation of a neuron. For example, attribution methods primarily identify input pixels that contribute most to a prediction, and feature visualization methods reveal inputs that cause high activation of a target neuron - the former implicitly assuming that the relevant information resides in the input, and the latter that neurons encode the presence of concepts. However, a largely overlooked type of causal relationship is that of encoded absences, where the absence of a concept increases neural activation. In this work, we show that such missing but relevant concepts are common and that mainstream XAI methods struggle to reveal them when applied in their standard form. To address this, we propose two simple extensions to attribution and feature visualization techniques that uncover encoded absences. Across experiments, we show how mainstream XAI methods can be used to reveal and explain encoded absences, how ImageNet models exploit them, and that debiasing can be improved when considering them.
Authors: Yuri Kuratov, Matvey Kairov, Aydar Bulatov, Ivan Rodkin, Mikhail Burtsev
Abstract: Many large language model applications require conditioning on long contexts. Transformers typically support this by storing a large per-layer KV-cache of past activations, which incurs substantial memory overhead. A desirable alternative is compressive memory: read a context once, store it in a compact state, and answer many queries from that state. We study this in a context removal setting, where the model must generate an answer without access to the original context at inference time. We introduce GradMem, which writes context into memory via per-sample test-time optimization. Given a context, GradMem performs a few steps of gradient descent on a small set of prefix memory tokens while keeping model weights frozen. GradMem explicitly optimizes a model-level self-supervised context reconstruction loss, resulting in a loss-driven write operation with iterative error correction, unlike forward-only methods. On associative key--value retrieval, GradMem outperforms forward-only memory writers with the same memory size, and additional gradient steps scale capacity much more effectively than repeated forward writes. We further show that GradMem transfers beyond synthetic benchmarks: with pretrained language models, it attains competitive results on natural language tasks including bAbI and SQuAD variants, relying only on information encoded in memory.
Authors: Yannis Montreuil, Le\"ina Montreuil, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-Defer routes each input to the expert that minimizes expected cost, but it assumes that the information available to every expert is fixed at decision time. Many modern systems violate this assumption: after selecting an expert, one may also choose what additional information that expert should receive, such as retrieved documents, tool outputs, or escalation context. We study this problem and call it Learning-to-Defer with advice. We show that a broad family of natural separated surrogates, which learn routing and advice with distinct heads, is inconsistent even in the smallest non-trivial setting. We then introduce an augmented surrogate that operates on the composite expert--advice action space and prove an $\mathcal{H}$-consistency guarantee together with an excess-risk transfer bound, yielding recovery of the Bayes-optimal policy in the limit. Experiments on tabular, language, and multi-modal tasks show that the resulting method improves over standard Learning-to-Defer while adapting its advice-acquisition behavior to the cost regime; a synthetic benchmark confirms the failure mode predicted for separated surrogates.
Authors: Simone Magistri, Dipam Goswami, Marco Mistretta, Bart{\l}omiej Twardowski, Joost van de Weijer, Andrew D. Bagdanov
Abstract: Vision-Language Models like CLIP are extensively used for inter-modal tasks which involve both visual and text modalities. However, when the individual modality encoders are applied to inherently intra-modal tasks like image-to-image retrieval, their performance suffers from the intra-modal misalignment. In this paper we study intra-modal misalignment in CLIP with a focus on the role of the projectors that map pre-projection image and text embeddings into the shared embedding space. By analyzing the form of the cosine similarity applied to projected features, and its interaction with the contrastive CLIP loss, we show that there is an inter-modal operator responsible for aligning the two modalities during training, and a second, intra-modal operator that only enforces intra-modal normalization but does nothing to promote intra-modal alignment. Via spectral analysis of the inter-modal operator, we identify an approximately isotropic subspace in which the two modalities are well-aligned, as well as anisotropic directions specific to each modality. We demonstrate that this aligned subspace can be directly obtained from the projector weights and that removing the anisotropic directions improves intra-modal alignment. Our experiments on intra-modal retrieval and classification benchmarks show that our training-free method reduces intra-modal misalignment, greatly lowers latency, and outperforms existing approaches across multiple pre-trained CLIP-like models. The code is publicly available at: https://github.com/simomagi/IsoCLIP.
Authors: Yadi Cao, Sicheng Lai, Jiahe Huang, Yang Zhang, Zach Lawrence, Rohan Bhakta, Izzy F. Thomas, Mingyun Cao, Chung-Hao Tsai, Zihao Zhou, Yidong Zhao, Hao Liu, Alessandro Marinoni, Alexey Arefiev, Rose Yu
Abstract: Evaluating LLM agents for scientific tasks has focused on token costs while ignoring tool-use costs like simulation time and experimental resources. As a result, metrics like pass@k become impractical under realistic budget constraints. To address this gap, we introduce SimulCost, the first benchmark targeting cost-sensitive parameter tuning in physics simulations. SimulCost compares LLM tuning cost-sensitive parameters against traditional scanning approach in both accuracy and computational cost, spanning 2,947 single-round (initial guess) and 1,931 multi-round (adjustment by trial-and-error) tasks across 13 simulators from fluid dynamics, solid mechanics, and plasma physics. Each simulator's cost is analytically defined and platform-independent. Frontier LLMs achieve 46-65% success rates in single-round mode, dropping to 35-55% under high accuracy requirements, rendering their initial guesses unreliable especially for high accuracy tasks. Multi-round mode improves rates to 72-81%, but LLMs are 1.5-2.5x slower than traditional scanning, making them uneconomical choices. We also investigate parameter group correlations for knowledge transfer potential, and the impact of in-context examples and reasoning effort, providing practical implications for deployment and fine-tuning. We open-source SimulCost as a static benchmark and extensible toolkit to facilitate research on improving cost-aware agentic designs for physics simulations, and for expanding new simulation environments. Code and data are available at https://github.com/Rose-STL-Lab/SimulCost-Bench.
Authors: Luke Watkin, Daniel Archambault, Alex Telea
Abstract: Decision Boundary Maps (DBMs) are an effective tool for visualising machine learning classification boundaries. Yet, DBM quality strongly depends on the dimensionality reduction (DR) technique and high dimensional space used for the data points. For complex ML data, DR can create many mixed classes which yield DBMs that are hard to use or even misleading. We propose a new technique to compute DBMs by transforming data space into Shapley space and computing DR on it. Compared to DBMs computed directly from data, our maps have similar or higher quality metric values and visibly more compact, easier to explore, decision zones that better agree with measured model performance.
Authors: Timothy Doyeon Kim, Ulises Pereira-Obilinovic, Yiliu Wang, Eric Shea-Brown, Uygar S\"umb\"ul
Abstract: Connectivity structure shapes neural computation, but inferring this structure from population recordings is degenerate: multiple connectivity structures can generate identical dynamics. Recent work uses low-rank recurrent neural networks (lrRNNs) to infer low-dimensional latent dynamics and connectivity from observed activity, enabling a mechanistic interpretation of the dynamics. However, standard approaches for training lrRNNs can recover spurious structures irrelevant to the underlying dynamics. We first characterize the identifiability of connectivity structures in lrRNNs and determine conditions under which a unique solution exists. To find such solutions, we develop an inference framework based on maximum entropy and continuous normalizing flows (CNFs), trained via flow matching. Instead of estimating a single connectivity matrix, our method learns a distribution over connection weights that is maximally unbiased over unidentifiable components while matching the observed dynamics. This approach captures complex yet necessary distributions such as heavy-tailed connectivity found in empirical data. We validate our method on synthetic datasets with connectivity structures that generate multistable attractors, limit cycles, and ring attractors, and demonstrate its applicability in recordings from rat frontal cortex during decision-making. Our framework shifts circuit inference from recovering connectivity to identifying which connectivity structures are computationally required, and which are artifacts of underconstrained inference.
Authors: Manuel Quintero, Advik Shreekumar, William T. Stephenson, Tamara Broderick
Abstract: Scientists often want to explain why an outcome is different in two groups. For instance, differences in patient mortality rates across two hospitals could be due to differences in the patients themselves (covariates) or differences in medical care (outcomes given covariates). The Oaxaca--Blinder decomposition (OBD) is a standard tool to tease apart these factors. It is well known that the OBD requires choosing one of the groups as a reference, and the numerical answer can vary with the reference. To the best of our knowledge, there has been no systematic investigation into whether the choice of OBD reference can yield different substantive conclusions and how common this issue is. In the present paper, we give existence proofs in real and simulated data that the OBD references can in fact yield substantively different conclusions. Our empirical exercises find that this sensitivity is more common when the OBD is extended to more complex regression models, including a pretrained transformer. Our theoretical and empirical results together establish that these conclusion reversals are not entirely driven by model misspecification, small data, or adversarial parameter choices. Our results suggest that practitioners should always report both directions of the OBD; that modern machine learning and large datasets do not automatically resolve the conclusion reversal problem; and that further work on this problem is needed.
Authors: Dario Draca, Takuo Matsubara, Minh-Ngoc Tran
Abstract: The natural gradient method is a central tool for statistical optimisation, but its broader application is hindered by the assumption of a Euclidean parameter space, the repeated estimation of the Fisher information matrix (FIM), and the computational cost of its subsequent inversion. This paper proposes an intrinsic, inversion-free natural gradient method for statistical models whose parameters lie on general Riemannian manifolds. Formulating statistical optimisation in this non-Euclidean setting allows for the natural enforcement of parameter constraints, the elimination of non-identifiable parameters, and the exploitation of geodesic convexity. Our algorithm is based on a moving approximation of the inverse FIM, which is maintained directly on the manifold. This approximation is efficiently updated with new score vectors using low-rank matrix identities. We prove almost-sure convergence rates of $O(\log s / s^\alpha)$ for the sequence of iterates, and a similar rate for the approximate FIM. A limited-memory variant with sub-quadratic storage complexity is further proposed for large-scale applications. We demonstrate the efficacy of our method on variational Bayes within the Bures-Wasserstein manifold, normalising flows on the Stiefel manifold, and reduced-rank logistic regression.
Authors: Jie Huang, Bruno Loureiro, Stefano Sarao Mannelli
Abstract: We study the population loss landscape of two-layer ReLU networks of the form $\sum_{k=1}^K \mathrm{ReLU}(w_k^\top x)$ in a realisable teacher-student setting with Gaussian covariates. We show that local minima admit an exact low-dimensional representation in terms of summary statistics, yielding a sharp and interpretable characterisation of the landscape. We further establish a direct link with one-pass SGD: local minima correspond to attractive fixed points of the dynamics in summary statistics space. This perspective reveals a hierarchical organisation of minima into discrete families and shows how overparameterisation changes their stability and reachability under gradient-based dynamics. In this overparameterised regime, global minima become increasingly accessible, attracting the dynamics and reducing convergence to spurious solutions. Overall, our results reveal intrinsic limitations of common simplifying assumptions, which may miss essential features of the loss landscape even in minimal neural network models.
Authors: Yannis Montreuil, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: A learning-to-defer (L2D) system decides, for each input, whether to predict on its own or to hand it to one of several available experts. The very well established recipe trains classifier and router jointly by treating the $K$ classes and $J$ experts as competing actions in one shared $(K{+}J)$-action geometry. Subsequent work has proposed a series of incremental fixes within this geometry; we show that each still suffers, to varying severity, from an optimization-level pathology (target distortion, gradient amplification, winner-take-all starvation, set-mass collapse, or class-expert coupling) even under statistical consistency. We step outside the augmented-action family entirely and propose a decoupled surrogate: a softmax classifier head and an independent sigmoid head per expert, mirroring the two natural objects of the problem. We show that per-sample updates are then coordinatewise and the class-expert Hessian block is identically zero, and prove an excess-risk bound with calibration constant $\max\{2\sqrt{2},\sqrt{2J/\lambda}\}$ -- to our knowledge the first multi-expert L2D guarantee whose constant does not grow with the expert pool when the per-expert weight is held fixed. On controlled synthetic studies and on CIFAR-10, CIFAR-10H, and Covertype, it is the only method in our comparison that remains stable as the expert pool grows, preserves rare specialists, and improves over a standalone classifier on every real-data benchmark.
Authors: Wonbong Jang, Shikun Liu, Soubhik Sanyal, Juan Camilo Perez, Kam Woh Ng, Sanskar Agrawal, Juan-Manuel Perez-Rua, Yiannis Douratsos, Tao Xiang
Abstract: Recovering camera parameters from images and rendering scenes from novel viewpoints have been treated as separate tasks in computer vision and graphics. This separation breaks down when image coverage is sparse or poses are ambiguous, since each task depends on what the other produces. We propose Rays as Pixels, a Video Diffusion Model (VDM) that learns a joint distribution over videos and camera trajectories. To our knowledge, this is the first model to predict camera poses and do camera-controlled video generation within a single framework. We represent each camera as dense ray pixels (raxels), a pixel-aligned encoding that lives in the same latent space as video frames, and denoise the two jointly through a Decoupled Self-Cross Attention mechanism. A single trained model handles three tasks: predicting camera trajectories from video, generating video from input images along a pre-defined trajectory, and jointly synthesizing video and trajectory from input images. We evaluate on pose estimation and camera-controlled video generation, and introduce a closed-loop self-consistency test showing that the model's predicted poses and its renderings conditioned on those poses agree. Ablations against Pl\"ucker embeddings confirm that representing cameras in a shared latent space with video is subtantially more effective.
Authors: Yunhe Li, Hao Shi, Bowen Deng, Wei Wang, Mengzhe Ruan, Hanxu Hou, Zhongxiang Dai, Siyang Gao, Chao Wang, Shuang Qiu, Linqi Song
Abstract: Although most of the automated theorem-proving approaches depend on formal proof systems, informal theorem proving can align better with large language models' (LLMs) strength in natural language processing. In this work, we identify a primary bottleneck in informal theorem proving as a lack of insight, namely the difficulty of recognizing the core techniques required to solve complex problems. To address this, we propose $\texttt{DeepInsight}$, a unified training framework designed to cultivate this essential reasoning skill and enable LLMs to perform insightful reasoning. Our framework consists of three components: (1) $\texttt{DeepInsightTheorem}$, a hierarchical dataset that structures informal proofs by explicitly extracting core techniques and proof sketches alongside the final proof; (2) a Progressive Multi-Stage SFT strategy that mimics the human learning process, teaching the model proof writing, planning, and insight identification; and (3) $\texttt{InsightPO}$, a policy optimization method that assigns structured rewards over this insight hierarchy. Our experiments on challenging mathematical benchmarks demonstrate that this insight-aware generation strategy significantly outperforms baselines. These results demonstrate that teaching models to identify and apply core techniques can substantially improve their mathematical reasoning.
Authors: Rajinder Sandhu, Di Mu, Cheng Chang, Md Shahriar Tasjid, Himanshu Rai, Maksims Volkovs, Ga Wu
Abstract: Dense vector retrieval is the practical backbone of Retrieval- Augmented Generation (RAG), but similarity search can suffer from precision limitations. Conversely, utility-based approaches leveraging LLM re-ranking often achieve superior performance but are computationally prohibitive and prone to noise inherent in perplexity estimation. We propose Utility-Aligned Embeddings (UAE), a framework designed to merge these advantages into a practical, high-performance retrieval method. We formulate retrieval as a distribution matching problem, training a bi-encoder to imitate a utility distribution derived from perplexity reduction using a Utility-Modulated InfoNCE objective. This approach injects graded utility signals directly into the embedding space without requiring test-time LLM inference. On the QASPER benchmark, UAE improves retrieval Recall@1 by 30.59%, MAP by 30.16% and Token F1 by 17.3% over the strong semantic baseline BGE-Base. Crucially, UAE is over 180x faster than the efficient LLM re-ranking methods preserving competitive performance, demonstrating that aligning retrieval with generative utility yields reliable contexts at scale.
Authors: Haoxuan Wang, Xinchen Du, Sen Na
Abstract: Reliable decision-making with streaming data requires principled uncertainty quantification of online methods. While first-order methods enable efficient iterate updates, their inference procedures still require updating proper (covariance) matrices, incurring $O(d^2)$ time and memory complexity, and are sensitive to ill-conditioning and noise heterogeneity of the problem. This costly inference task offers an opportunity for more robust second-order methods, which are, however, bottlenecked by solving Newton systems with $O(d^3)$ complexity. In this paper, we address this gap by studying an online Newton method with Hessian averaging, where the Newton direction at each step is approximately computed using a sketch-and-project solver with Nesterov's acceleration, matching $O(d^2)$ complexity of first-order methods. For the proposed method, we quantify its uncertainty arising from both random data and randomized computation. Under standard smoothness and moment conditions, we establish global almost-sure convergence, prove asymptotic normality of the last iterate with a limiting covariance characterized by a Lyapunov equation, and develop a fully online covariance estimator with non-asymptotic convergence guarantees. We also connect the resulting uncertainty quantification to that of exact and sketched Newton methods without Nesterov's acceleration. Extensive experiments on regression models demonstrate the superiority of the proposed method for online inference.
Authors: Yijiang Li, Emon Dey, Zilinghan Li, Krishnan Raghavan, Ravi Madduri, Kibaek Kim
Abstract: Federated learning (FL) across multiple HPC facilities faces stochastic admission delays from batch schedulers that dominate wall-clock time. Synchronous FL suffers from severe stragglers, while asynchronous FL accumulates stale updates when queues spike. We propose FedQueue, a queue-aware FL protocol that incorporates scheduler delays directly into training and aggregation, which (i) predicts per-facility queue delays online to budget local work, (ii) applies cutoff-based admission that buffers late arrivals to bound staleness, and (iii) performs staleness-aware aggregation to stabilize heterogeneous local workloads. We prove the convergence for non-convex objectives at rate $\mathcal{O}(1/\sqrt{R})$ under bounded staleness, and show that the admission controls yield bounded staleness with high probability under queue-prediction error. Real-world cross-facility deployment of FedQueue shows 20.5% improvement over baseline algorithms. Controlled queue simulations demonstrate robust improvement over the baselines; in particular, up to 60% reduction in time to reach a target accuracy level under high queue variance and non-IID partitions.
Authors: Bowen Zheng, Weijian Luo, Guang Yang, Colin Zhang, Tianyang Hu
Abstract: In this work, we propose Prologue, an approach to bridging the reconstruction-generation gap in autoregressive (AR) image generation. Instead of modifying visual tokens to satisfy both reconstruction and generation, Prologue generates a small set of prologue tokens prepended to the visual token sequence. These prologue tokens are trained exclusively with the AR cross-entropy (CE) loss, while visual tokens remain dedicated to reconstruction. This decoupled design lets us optimize generation through the AR model's true distribution without affecting reconstruction quality, which we further formalize from an ELBO perspective. On ImageNet 256x256, Prologue-Base reduces gFID from 21.01 to 10.75 without classifier-free guidance while keeping reconstruction almost unchanged; Prologue-Large reaches a competitive rFID of 0.99 and gFID of 1.46 using a standard AR model without auxiliary semantic supervision. Interestingly, driven only by AR gradients, prologue tokens exhibit emergent semantic structure: linear probing on 16 prologue tokens reaches 35.88% Top-1, far above the 23.71% of the first 16 tokens from a standard tokenizer; resampling with fixed prologue tokens preserves a similar high-level semantic layout. Our results suggest a new direction: generation quality can be improved by introducing a separate learned generative representation while leaving the original representation intact.
Authors: Yuriel Ryan, Hei Man Ip, Adriel Kuek, Paul Pu Liang, Roy Ka-Wei Lee
Abstract: Current vision language models face hallucination and robustness issues against ambiguous or corrupted modalities. We hypothesize that these issues can be addressed by exploiting the shared information between modalities to compensate for the impaired one. To this end, we analyze multimodal interactions -- redundant (shared), unique (exclusive), and synergistic (emergent) task-relevant information provided by the modalities -- to determine their impacts on model reliability. Specifically, amplifying redundant interactions would increase this exploitable shared information to resolve these issues; yet, modern instruction datasets often eliminate redundancies to prioritize visual grounding. We bridge this gap through a self-captioning workflow featuring a \textsc{Multimodal Interaction Gate}: a mechanism to convert unique interactions into redundant interactions. Our findings suggest that increasing redundancy can reduce visual induced errors by 38.3\% and improve consistency by 16.8\%.
Authors: Dang Hoang Duy, Yannis Montreuil, Maxime Meyer, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-Defer (L2D) methods route each query either to a predictive model or to external experts. While existing work studies this problem in batch settings, real-world deployments require handling streaming data, changing expert availability, and shifting expert distribution. We introduce the first online L2D algorithm for multiclass classification with bandit feedback and a dynamically varying pool of experts. Our method achieves regret guarantees of $O((n+n_e)T^{2/3})$ in general and $O((n+n_e)\sqrt{T})$ under a low-noise condition, where $T$ is the time horizon, $n$ is the number of labels, and $n_e$ is the number of distinct experts observed across rounds. The analysis builds on novel $\mathcal{H}$-consistency bounds for the online framework, combined with first-order methods for online convex optimization. Experiments on synthetic and real-world datasets demonstrate that our approach effectively extends standard Learning-to-Defer to settings with varying expert availability and reliability.
Authors: Yiwen Qiu, Fili Kova\v{c}evi\'c, Shimeng Huang, Peter Spirtes, Francesco Locatello
Abstract: Selection bias is pervasive in observational studies. For example, large scale biobanks data can exhibit ``healthy volunteer bias'' when respondents are healthier and of higher socio-economic status than the population they are meant to represent. Recovering causal effects from such sub-population is an important problem in causal inference, as estimating average treatment effects (ATE) from selected populations can result in a severely biased estimate of the ATE from the whole population. In this paper, we investigate the identifiability of the ATE under selection bias. We provide necessary and sufficient conditions for ATE identifiability, leveraging weak assumptions on probability classes to characterize propensity score and selection probability, . Compared to previous works, our results extend existing graphical identifiability criteria and offer a more comprehensive understanding of causal effect identification with strictly weaker conditions in the presence of selection bias.
Authors: Benjamin Schneider, Xavier Schneider, Victor Zhong, Sun Sun
Abstract: Long-horizon embodied tasks remain a fundamental challenge in AI, as current methods rely on hand-engineered rewards or action-labeled demonstrations, neither of which scales. We introduce ASH, an agentic system that learns an embodied policy from unlabeled, noisy internet video, without reward shaping or expert annotation. ASH follows a self-improvement loop; when it gets stuck, ASH learns an Inverse Dynamics Model (IDM) from its own trajectories, and uses its IDM to extract supervision from relevant internet video. ASH uses unsupervised learning to identify key moments from large-scale internet video and retains them as long-term memory -- allowing it to tackle long-horizon problems. We evaluate ASH on two complementary environments demanding multi-hour planning: Pokemon Emerald, a turn-based RPG, and The Legend of Zelda: The Minish Cap, a real-time action-adventure game. In both games, behavioral cloning, retrieval-augmented and zero-shot foundation-model baselines plateau, while ASH sustains progression across our 8-hour evaluation. ASH reaches an average of $11.2/12$ milestones in Pokemon Emerald and $9.9/12$ in Legend of Zelda, while the strongest baseline gets stuck in both environments at an average of $6.5/12$ and $6.0/12$ milestones, respectively. We demonstrate that self-improving agents are a scalable recipe for long-horizon embodied learning.
Authors: Seok-Jin Kim
Abstract: We study the multi-task linear regression problem in the presence of contaminated tasks. We address the setting where the unknown parameters of a majority of tasks are close in the $\ell_2$-norm, while a fraction of tasks are arbitrary outliers. Existing theoretical frameworks for this problem rely heavily on the assumption that the empirical second moment of each task has a minimum eigenvalue bounded away from zero (order $\Omega(1)$). Crucially, this assumption fails in many high-dimensional scenarios, rendering prior guarantees vacuous. To overcome this limitation, we propose an estimator based on matrix-weighted norm regularization. We also introduce a relative balancedness condition, quantified by a balancedness constant, that compares each task's second moment with the average inlier geometry and relaxes the need for taskwise second-moment lower bounds. In favorable regimes with moderate balancedness, our prediction MSE bounds match the rate of Duan and Wang (2023) under substantially weaker spectral assumptions; the resulting task-overall MSE is minimax optimal up to logarithmic factors. Furthermore, we demonstrate that our estimator enjoys a safety guarantee: when the relevant balancedness constant is large or infinite, or when tasks are unrelated, the method performs no worse than independent task learning.
Authors: Carlos A. Dur\'an Paredes, Javier E. Le\'on Calder\'on, Nicol\'as S\'anchez Perea, Germ\'an Dar\'io D\'iaz, Camilo Segura Quintero
Abstract: Unmanned aerial vehicles (UAVs) are cyber-physical systems whose attack surface spans networked avionics and on-board sensor fusion: a compromised GPS or battery module can mimic a benign mission segment and evade naive anomaly detectors. We present a leakage-free evaluation of quantum machine learning for UAV anomaly detection on the multi-sensor TLM:UAV benchmark. Three contributions support the study. (i) A group-aware temporal protocol (B2) partitions the dataset into ten contiguous TimeUS blocks and evaluates over ten seeds, eliminating the inflation produced by random stratified splits that mix neighbouring samples. (ii) A three-mode feature audit (full/loose/strict) quantifies how much accuracy stems from instantaneous physical signals versus contextual proxies (cumulative energy, battery state, GPS trajectory). (iii) A hybrid XGBoost + Data Reuploading (DRU) classifier is benchmarked against five paired non-linear controls (raw, PCA, polynomial-2, random-RBF, and an untrained DRU map) under identical budgets. The standalone DRU does not consistently match the strongest classical baseline across seeds; however, the trained-DRU hybrid is the only model whose mean F1 macro shifts upward from full to strict (+0.05), a directional signal that the per-seed standard deviations prevent from being interpreted as a statistically established difference. The trained-DRU hybrid also records the lowest mean false-alarm rate under proxy-free evaluation, subject to the inter-seed variance reported. We frame this as an incremental, reproducible quantum-enhanced hybrid benefit, and provide an open Qiskit 2.x implementation as a benchmark for cybersecurity analytics in NISQ-era aerospace systems.
Authors: Ziliang Zhao, Zenan Xu, Shuting Wang, Hongjin Qian, Yan Lei, Minda Hu, Zhao Wang, Shihan Dou, Zhicheng Dou, Pluto Zhou
Abstract: Planning is a fundamental capability for large language models (LLMs) because such complex tasks require models to coordinate goals, constraints, resources, and long-term consequences into executable and verifiable solutions. Existing planning benchmarks, however, usually treat planning data as fixed collections of instances rather than controllable generation targets. This limits scenario coverage, ties difficulty to surface-level proxies rather than structural sources, and offers limited support for scalable generation, automatic verification, or planning-oriented training. We introduce PlanningBench, a framework for generating scalable, diverse, and verifiable planning data for both evaluation and training. PlanningBench starts from real planning scenarios and abstracts practical workflows into a structured taxonomy of more than 30 task types, subtasks, constraint families, and difficulty factors. Guided by this taxonomy, a constraint-driven synthesis pipeline instantiates self-contained planning problems with adaptive difficulty control, quality filtering, and instance-level verification checklists. This shifts planning data construction from fixed benchmark collection to controllable generation while preserving realistic task grounding. We use PlanningBench to evaluate open-source and closed-source frontier LLMs, and find that current models still struggle to produce complete solutions under coupled constraints. Beyond evaluation, reinforcement learning on verified PlanningBench data improves performance on unseen planning benchmarks and broader instruction-following tasks. Further analysis suggests that determinate or well-specified optimal solutions provide clearer reward signals and more stable training dynamics. Overall, PlanningBench provides a controllable source of planning data for diagnosing and improving generalizable planning abilities in LLMs.
Authors: Bruno F. Louren\c{c}o, Hesham Morgan, Ana Ozaki, Aleksandar Pavlovi\'c, Emanuel Sallinger
Abstract: Knowledge base (KB) embeddings aim at combining the capability of classical knowledge graph embeddings to generalize the information present in facts, the ABox, with conceptual knowledge represented in an ontology language, the TBox. Several authors have recently explored the idea of mapping concepts to convex regions in a vector space. This is useful to represent hierarchies, typically present in TBoxes, since more general concepts can be mapped to larger regions, containing those regions associated with more specific concepts. However, the power of convexity is rarely leveraged during the actual learning tasks. Here, we introduce BoxLitE, a KB embedding model for DL-Lite$^{\mathcal{H}}$ that allows for convex optimization. We show that for any satisfiable DL-Lite$^{\mathcal{H}}$ KB, there is a BoxLitE embedding that is a weakly faithful model. As a proof of concept, we show how to formulate the KB embedding task as a convex optimization problem and how to obtain embeddings with such desirable faithfulness properties.
Authors: Luoyu Chen, Weiqi Wang, Zhiyi Tian, Chenhan Zhang, Feng Wu, Jianhuan Huang, Ahmed Asiri, Shui Yu
Abstract: Jailbreak prompts can trigger harmful completions on aligned LLMs, In accordance, safety steering has been proposed: test-time activation interventions that steer jailbreak activations to trigger refusal while preserving benign utility. However, existing steering methods are fundamentally supervised and tied to a static, limited training set, whereas real jailbreaks evolve and are often out-of-distributed from the training set, leading to failures on unseen attacks. In this paper, we tackle the failure on unseen jailbreaks problem, base on unsupervised latent direction discovery. We propose a bi-level adversarial training framework for zero-shot jailbreak defense. In the inner step, we simulate diverse jail-broken activations by extrapolating from refusal-state harmful-request activations via unsupervised latent direction discovery, which expands the coverage of real jailbreak activation subspaces. In the outer step, we train a potential-induced steering field to push these adversarial jailbroken states into refusal regions while keeping benign unchanged. Across three LLMs and six classical jailbreak families, our method achieves strong defense with attack success rates mostly below 5%, and rising subspace coverage throughout training helps explain the improved generalization.
Authors: Sam Bowyer, Acyr Locatelli, Kris Cao
Abstract: Efficient benchmarking techniques aim to lower the computational cost of evaluating LLMs by predicting full benchmark scores using only a subset of a benchmark's questions. By reframing this problem as an instance of multiple regression with feature selection, we find that existing efficient benchmarking methods can be greatly improved by simply using kernel ridge regression at the prediction stage. Additionally, using an information-theoretic feature-selection algorithm called minimum redundancy maximum relevance (mRMR), we can further improve upon these methods by selecting question subsets that will be maximally useful for prediction. Except in very data-poor settings, these approaches consistently achieve smaller prediction errors (in both MAE and RMSE), and greater ranking correlation between predicted and true scores (in both Spearman $\rho$ and Kendall $\tau$) across a range of benchmarks using both binary and continuous metrics. Furthermore, mRMR subsampling is much faster than competitor methods (which often involve fitting probabilistic models or running clustering algorithms), and is more likely to select the same questions under different random seeds or training data splits. Tutorial code can be found at https://github.com/sambowyer/mrmr_eval .
Authors: Juergen Dietrich
Abstract: Not all clinically relevant adverse effects are structurally inferable from molecular graphs - regardless of model quality or architectural complexity. This study introduces an operational taxonomy of the structural information limits that prevent structure-based toxicity prediction, independent of the learning algorithm employed. Graph Neural Networks (GNNs) have emerged as a natural approach for molecular toxicity prediction, operating directly on atomic connectivity without the information loss inherent to fixed-length fingerprints. However, the fraction of a drug's known pharmacological profile that is actually inferable from molecular structure remains systematically underexplored. A systematic case study using acetylsalicylic acid (ASA, Aspirin) - one of the most comprehensively characterized drugs in pharmacology - serves as model compound. A Message Passing Neural Network (MPNN) is trained on the Tox21 benchmark and GNNExplainer is applied to characterize atom-level attribution. Results indicate that molecular structure explains approximately 45% (5/11) of known ASA adverse effects. A four-category Gap Taxonomy (GAP-1 through GAP-4) is introduced distinguishing between principally non-encodable effects, data gaps arising from Missing Not At Random (MNAR) mechanisms, assay panel mismatches, and representation errors. The MNAR gap is empirically quantified via a systematic ChEMBL query (42 documented assays, 0 retrievable bioactivity entries). An attention pooling experiment localizes the representation error to the MPNN message passing layers rather than the aggregation step. The Gap Taxonomy has direct implications for drug safety signal detection and regulatory frameworks including Good Pharmacovigilance Practice (GVP) guidelines and New Approach Methodologies (NAMs). Structural limits identified are confirmed in a companion DDI ablation study.
Authors: Cheng Qian, Hyeonjeong Ha, Jiayu Liu, Jeonghwan Kim, Emre Can Acikgoz, Bingxuan Li, Kunlun Zhu, Jiateng Liu, Aditi Tiwari, Zhenhailong Wang, Xiusi Chen, Mahdi Namazifar, Heng Ji
Abstract: Large multimodal models (LMMs) have rapidly advanced in perception and reasoning; however, it remains unclear whether these capabilities generalize to discovering visually grounded solutions in open-ended environments, beyond pattern recognition. In such settings, intelligence requires more than answering well-posed questions: it involves identifying how elements in a scene can be repurposed in non-obvious yet physically feasible ways. This form of creative problem-solving is central to human intelligence, but remains largely untested in current benchmarks. To evaluate this ability, we introduce MM-CreativityBench, a benchmark for affordance-grounded creative tool use in visually rich, physically constrained environments. Each instance presents a scenario image with structured views of candidate entities and their parts, enabling fine-grained, interactive evaluation of how models iteratively inspect the scene, identify relevant affordances, and compose visually and physically grounded solutions. Our experiments show that current LMMs often fall short, not due to lack of generative capability, but because they do not sustain grounded exploration. Models often overlook relevant entities, under-examine critical parts, or hallucinate attributes not grounded in the image. Motivated by this failure mode, we propose affordance-grounded alignment, which casts creative tool use as a preference learning problem. Using Direct Preference Optimization, we encourage models to prefer attribute-affordance reasoning grounded in visual evidence over hallucinated alternatives. In addition, we incorporate supervision derived from an affordance knowledge base to guide broader entity exploration and multi-turn planning. Our results show consistent gains in selecting the correct entities and parts, while substantially reducing hallucination and grounding-related errors.
Authors: Francesco Corielli
Abstract: We construct a binary mixed-regime process with one deterministic textual regime and one random regime governed by an unobserved latent state. Even an ideal infinite-capacity sequence predictor that exactly recovers the text-only marginal law can become overconfident when the observed prefix is compatible with the wrong latent regime. The resulting entropy difference is not an ordinary optimization error; it is a sufficiency gap caused by marginalization over an unobserved state. We then formalize retrieval, tool use, and external grounding through an auxiliary binary signal with fidelity $\gamma \in [1/2,1]$. The resulting Bayesian update yields a contextual dominance threshold: a corrective signal reverses the posterior odds induced by the textual history exactly when its fidelity exceeds the text-only posterior weight assigned to the misleading regime. This threshold reduces, but does not generally eliminate, the sufficiency gap; complete closure requires perfect revelation of the relevant latent state or an equivalent verification mechanism. The analysis clarifies why temperature scaling cannot restore missing context, why grounding mechanisms must be both informative and learnably usable by the model, and why autonomous sequence models require structurally decoupled observers or verifiers in high-stakes domains.
Authors: Dongyoon Hahm, Dylan Hadfield-Menell, Kimin Lee
Abstract: Reinforcement Learning from Human Feedback (RLHF) is the standard method to align Large Language Models (LLMs) with human preferences. In this work, we introduce alignment tampering, a potential vulnerability where the LLM undergoing alignment influences the preference dataset, causing RLHF to amplify undesired behaviors. This arises from core limitations of RLHF: (1) preference datasets are constructed from the LLM's own outputs, allowing it to influence them, and (2) pairwise comparisons only indicate which response is better, not why. These limitations can be exploited to cause alignment tampering. For example, if an LLM generates biased responses with higher quality, annotators will prefer them based on quality. However, preference labels do not distinguish quality from bias, and the reward model inherits this limitation. Optimizing such rewards through reinforcement learning or best-of-N sampling can amplify misaligned biases. Our experiments demonstrate amplification across diverse biases: from keyword bias to propaganda (e.g., sexism), brand promotion, and instrumental goal-seeking. Mitigation remains challenging, as existing techniques for robust RLHF fail to fully resolve alignment tampering without sacrificing response quality. These findings reveal structural vulnerabilities of current RLHF and emphasize the need to prevent this vulnerability. Project page: https://alignment-tampering.github.io/
Authors: Gavin Brown, Ephraim Linder, Mahbod Majid, Vikrant Singhal
Abstract: We study efficient differentially private algorithms for estimating monotone statistics, i.e., statistics that are monotone under the addition of new observations. The starting point for our investigation is subsample-and-aggregate: a classical paradigm that partitions the dataset into blocks, estimates the statistic on each block, and then privately aggregates the estimates. While practical and generically applicable, this approach is quite data-hungry. We improve upon this framework for the class of monotone statistics -- compared to subsample-and-aggregate, our algorithms save a factor of $t$ in sample complexity and pay a factor of $e^t$ in running time, where $t>0$ is a tunable parameter. We complement our results with a query-complexity lower bound, showing that our algorithms are essentially optimal for this task. As an application, we obtain improved results for private eigenvalue estimation, private loss estimation, and privately estimating a single parameter of a high-dimensional model, e.g., in linear regression.
Authors: Nico Meyer, Christopher Mutschler, Dominik Seu{\ss}, Andreas Maier, Daniel D. Scherer
Abstract: Logical operations are essential for quantum computation within quantum error-correcting codes. However, discovering their physical realizations is challenging, especially for non-additive codes that lack a stabilizer description. We present a general learning-based framework that, given only an encoding circuit, constructs physical implementations of logical operations while enforcing structural properties such as transversality or shallow depth. Our approach is validated by rediscovering known logical operations of standard stabilizer codes. We then extend it to a co-design procedure, dubbed variational early fault-tolerant quantum computing (VarEFTQC), which tailors non-additive encodings to a given noise model and enforces desired logical gate sets, such as transversal IQP-type families or low-depth universal sets. A software library implements the complete learning pipeline, including loss-function variants, ansatz families, and optimization routines. Together, these results position VarEFTQC as a practical tool for discovering hardware-adapted logical gadgets for early fault-tolerant quantum computing.
Authors: Ben Jacobsen, Tomas Gonzalez, Gavin Brown, Kassem Fawaz, Aaditya Ramdas
Abstract: E-values have attracted considerable interest in recent years as flexible tools for enabling anytime-valid and adaptive data analysis. Hypothesis testing is at the core of many of these applications, which can often involve private or sensitive data. In this work, we answer a simple but important question: given two distributions $\mathbb{P}$ and $\mathbb{Q}$, what is the maximum achievable e-power when testing $X\sim \mathbb{P}^n$ against $X\sim\mathbb{Q}^n$ with e-values that satisfy $\varepsilon$-differential privacy? We characterize the optimal rate for this problem and provide an algorithm which matches it exactly. In the sequential setting, when observations arrive one-by-one and the analyst chooses when to halt, we give matching upper and lower bounds on the stopping times of any private e-process. Numerical experiments confirm the practicality of our algorithms, which require less data than the recently proposed DP-SPRT across a range of sequential testing problems and privacy levels.
Authors: Sixue Xing, Haoyu He, Kerui Wu, Zhuo Yang, Haozheng Luo, Tianfan Fu, Aarthy Nagarajan
Abstract: LLM-guided evolutionary search (Evolve systems) has reached state-of-the-art results on mathematical and combinatorial tasks, yet most existing systems report only the best of many runs and leave the run-to-run distribution undocumented. We ask how a fixed budget of LLM calls should be allocated, and how reliably a single run reaches the reported numbers. Sweeping the depth-breadth grid over five models and three tasks, we identify two empirical regularities: a fitness-compute envelope along which capability ordering largely collapses on effective FLOPs, and a bilinear depth-breadth fit with task-specific interaction; both are gated by model-task capability. Motivated by these regularities, we propose BaSE (Bandit-based Self-Evolving), a multi-armed bandit that allocates LLM calls across parallel trajectories. Without changing the model, prompt, or evaluator, BaSE improves mean fitness by 12.3% over the strongest island-protocol baseline across 8 (model, task) cells, with the largest gains on high-variance settings: a reliability gain from allocation alone.
Authors: Yanxing Guo, Zihao Zheng, Fangzhou Wu, Ling Liang, Lin Bao, Zongwei Wang, Yimao Cai
Abstract: Tackling complex reasoning tasks typically relies on massive monolithic LLMs, which suffer from severe computational redundancy. While task decomposition through structured pipelines or multi-agent collaborations offers an alternative, these approaches inevitably fall into a critical dilemma: predefined static topologies are highly vulnerable to cascading errors, whereas unconstrained dynamic agents suffer from trajectory divergence and unpredictable memory bloat. To address this, we present DynaGraph, a lightweight multi-model framework driven by dynamic topological reconfiguration. At the execution level, DynaGraph multiplexes time-division PEFT adapters over a shared base model, enabling both full system training and inference deployment on a single consumer-grade GPU. At the routing level, the Evaluator continuously monitors execution confidence to trigger hierarchical self-healing: Fine-grained Patching for localized data gaps and Subgraph Reconstruction for severe logical ruptures. Experiments on StrategyQA, MATH, and FinQA demonstrate our 8B model closely approximates the reasoning capabilities of a 72B monolithic model (e.g., 87.6% on StrategyQA, 82.7% on MATH). Furthermore, it reduces latency by up to 68.1% and token consumption by 68.6% compared to unconstrained dynamic architectures.
Authors: Yunbo Tang, Chengyi Yang, Shiyu Liu, Zhishang Xiang, Zerui Chen, Qinggang Zhang, Jinsong Su
Abstract: Agentic search enables LLMs to solve complex multi-hop questions through iterative reasoning and external search. Despite the effectiveness, these systems often suffer from a critical limitation in practice: agents fail to recognize their own knowledge boundaries, blindly triggering searches when internal knowledge suffices and failing to terminate search even when adequate evidence has been collected. The lack of self-awareness leads to severe \textbf{over-search}, incurring substantial inference latency and prohibitive computational cost. To this end, we propose SAAS, a novel RL framework designed to cultivate dynamic self-awareness that precisely regulates search behavior without compromising accuracy. SAAS introduces three key components: (i) a search boundary modeling mechanism, which identifies the search boundary under the evolving policy by contrasting search-disabled and search-enabled rollouts; (ii) a boundary-aware reward module, which translates this boundary awareness into trajectory-level penalties, suppressing unnecessary and redundant searches; and (iii) a stage-wise optimization strategy, which leverages a sequential curriculum to prioritize reasoning over search regularization, thereby avoiding reward hacking. Extensive experiments demonstrate that SAAS substantially reduces over-search, while maintaining accuracy. Our code and implementation details are released at https://github.com/XMUDeepLIT/SAAS.
Authors: Youhan Huang, Jiajun Li, Yilin Fang, Shuai Wang, Chuheng Li
Abstract: Histological scoring is essential for diagnosing Non-Alcoholic Fatty Liver Disease (NAFLD), yet its automation remains challenging due to the high annotation cost and negative transfer among the strongly correlated NAFLD Activity Score (NAS) indicators in multi-task learning. To address this issue, we propose a subspace-decoupled multi-task Vision Transformer (ViT) that integrates lightweight task-specific Adapters with orthogonality-based constraints. This design constructs independent feature subspaces for steatosis, ballooning, and inflammation, effectively reducing task interference while retaining shared representations. We further construct a curated multi-task mouse NAFLD histology dataset with expert annotations for all NAS components. Experimental results demonstrate that the proposed method improves multi-task stability and generalization with substantially reduced computational cost compared to training separate single-task models. The code and the curated dataset have been prepared and will be made publicly available upon acceptance to support reproducibility.
Authors: Tanmoy Chakraborty, Ayan Sengupta, Suparna Bhattacharya, Partha Pratim Chakrabarti, Amlan Chakrabarti, Supratik Chakraborty, Partha Pratim Das, Lipika Dey, Richa Singh, Mayank Vatsa
Abstract: Large language models (LLMs) frequently achieve impressive scores on standardized benchmarks, yet accuracy alone offers a limited view of their capabilities. Evaluating open-source LLMs through leaderboards faces persistent issues like data contamination, narrow task scope, and weak alignment with real-world reliability. Benchmark-based evaluations such as MMLU PRO, BBH, or IFEval primarily capture what a model outputs on fixed test sets, not how it processes information, calibrates uncertainty, or structures internal knowledge. In this article, we advocate for a shift from benchmark-centric evaluation toward a complementary, state-centered intrinsic assessment of LLMs. To this end, we introduce Latent Performance Profiling (LPP) -- a framework that derives task-agnostic diagnostics from hidden activations and output distributions. LPP defines a set of scalar metrics on a model's latent representations and dynamics, revealing scale-independent traits that enable interpretable comparisons and uncover hidden vulnerabilities. Unlike static accuracy scores, LPP provides stable, architecture-sensitive signatures across models of similar size. With extensive empirical analyses across eight LLMs, spanning a size range of 0.5B-14B, we demonstrate that models with similar benchmark scores can exhibit contrasting latent profiles, such as differences in entropy or adaptability. Guided by these insights, we design synthetic probes for uncertainty and symbolic reasoning that align with intrinsic metrics while decoupling from leaderboard bias. We recommend that reporting LPP alongside benchmarks provides a deeper, interpretable understanding of model behavior, enabling more reliable model selection, safety assessment, and evaluation beyond surface-level accuracy.
Authors: Lixuan Guo, Yifei Wang, Tiansheng Wen, Aosong Feng, Stefanie Jegelka, Chenyu You
Abstract: Multi-vector retrieval (MVR) models, exemplified by ColBERT, have established new benchmarks in retrieval accuracy by preserving fine-grained token-level interactions. However, this granularity imposes prohibitive storage and retrieval efficiency bottlenecks: to manage the immense memory footprint and computational overhead of billion-scale token vectors, state-of-the-art systems are forced to rely on aggressive dimension reduction and complex clustering (e.g., K-means). This compromise introduces two critical limitations: excessive indexing latency of clustering large-scale corpora and semantic information loss inherent to compression. In this paper, we propose Single-stage Sparse Retrieval (SSR}, a paradigm shift that replaces expensive clustering with efficient sparse coding. Instead of compressing features into low-dimensional dense vectors, we utilize Sparse Autoencoder (SAE) to project token embeddings into a high-dimensional but highly sparse representation. This transformation enables us to bypass vector clustering entirely and leverage inverted indexing for precise, high-throughput retrieval. Extensive experiments on the BEIR benchmark demonstrate that SSR achieves a "trifecta" of improvements: it reduces indexing time by 15x compared to ColBERTv2, halves retrieval latency, and simultaneously improves retrieval performance over leading baselines.