Authors: Yi Liu
Abstract: We present the first systematic study of weight matrix singular value spectra \emph{during} transformer pretraining, tracking full SVD decompositions of every weight matrix at 25-step intervals across three model scales (30M--285M parameters). We discover three phenomena: \textbf{(1)~Transient Compression Waves:} stable rank compression propagates as a traveling wave from early to late layers, creating a dramatic gradient that peaks early then \emph{reverses} -- late layers eventually over-compress past early layers. \textbf{(2)~Persistent Spectral Gradients:} the power-law exponent~$\alpha$ develops a permanent depth gradient forming a non-monotonic inverted-U in deeper models, with peaks shifting toward earlier layers as depth increases. \textbf{(3)~Q/K--V Functional Asymmetry:} value/output projections compress uniformly while query/key projections carry the full depth-dependent dynamics. The dissociation between transient compression and persistent spectral shape reveals that \emph{rank and spectral shape encode fundamentally different information about training}. We formalize this as a two-timescale dynamical model and derive scaling laws ($\Delta\alpha \propto L^{0.26}$, $R^2{=}0.99$). We validate on nine models across three families (custom, GPT-2, Pythia; 30M--1B parameters; 8--36 layers), demonstrate that $\alpha$ predicts layer importance ($\rho{=}0.69$--$0.84$, $p{<}0.02$), and show that spectral-guided pruning outperforms Last-N heuristics by $1.1{\times}$--$3.6{\times}$ across seven models in two families (GPT-2 124M--774M, Pythia 160M--1B), with worst-vs-best gaps up to $23.7{\times}$ confirming the causal role of spectral structure.
Authors: Cheng Gao, Cheng Huang, Kangyang Luo, Ziqing Qiao, Shuzheng Si, Huimin Chen, Chaojun Xiao, Maosong Sun
Abstract: Enabling large language models (LLMs) to appropriately abstain from answering questions beyond their knowledge is crucial for mitigating hallucinations. While existing reinforcement learning methods foster autonomous abstention, they often compromise answer accuracy because their static reward mechanisms, agnostic to models' knowledge boundaries, drive models toward excessive caution. In this work, we propose KARL, a novel framework that continuously aligns an LLM's abstention behavior with its evolving knowledge boundary. KARL introduces two core innovations: a Knowledge-Boundary-Aware Reward that performs online knowledge boundary estimation using within-group response statistics, dynamically rewarding correct answers or guided abstention; and a Two-Stage RL Training Strategy that first explores the knowledge boundary and bypasses the "abstention trap", and subsequently converts incorrect answers beyond the knowledge boundary into abstentions without sacrificing accuracy. Extensive experiments on multiple benchmarks demonstrate that KARL achieves a superior accuracy-hallucination trade-off, effectively suppressing hallucinations while maintaining high accuracy across both in-distribution and out-of-distribution scenarios.
Authors: Zahra Makki Nayeri, Mohsen Rezvani
Abstract: Proactive alert prediction in computer networks is critical for mitigating evolving cyber threats and enabling timely defensive actions. Temporal Graph Neural Networks (TGNs) provide a principled framework for modeling time-evolving interactions; however, existing TGN-based methods predominantly rely on unidirectional or single-mechanism temporal aggregation, which limits their ability to capture recursive, multi-scale temporal patterns commonly observed in real-world attack behaviors. In this paper, we propose BiTA, a Bidirectional Gated Recurrent Unit-Transformer Aggregator for temporal graph learning. Rather than introducing a deeper or higher-capacity model, BiTA redesigns the temporal aggregation function within the TGN framework by jointly encoding bidirectional sequential dependencies and long-range contextual relations over each node's temporal neighborhood. This aggregation strategy enables complementary temporal reasoning at different scales while preserving the original TGN memory and message-passing structure. We evaluate BiTA on real-world alert datasets, demonstrating significant improvements in key performance metrics such as area under the curve, average precision, mean reciprocal rank, and per-category prediction accuracy when compared to state-of-the-art temporal graph models. BiTA outperforms baseline methods under both transductive and inductive settings, highlighting its robustness and generalization capabilities in dynamic network environments. BiTA is a scalable and interpretable framework for real-time cyber threat anticipation, paving the way toward more intelligent and adaptive intrusion detection systems.
Authors: Anastasiia Filippova, David Grangier, Marco Cuturi, Jo\~ao Monteiro
Abstract: Serving transformer language models with high throughput requires caching Key-Values (KVs) to avoid redundant computation during autoregressive generation. The memory footprint of KV caching is significant and heavily impacts serving costs. This work proposes to lessen these memory requirements. While recent work has largely addressed KV cache reduction via compression and eviction along the temporal axis, we argue that the \emph{depth} dimension offers an orthogonal and robust avenue for optimization. Although prior research suggests that a full cache for every layer is redundant, implementing cross-layer cache sharing remains a practical challenge; existing methods typically suffer from reduced throughput or increased time-to-first-token. In this paper, we demonstrate that dropping a layer's cache offers efficient optimization without information loss. We propose a simple training approach: random cross-layer attention. During training, layers randomly choose to attend either to their own KV states or those of a preceding layer. This stochastic process adapts the model to be robust to various depth-wise cache sharing strategies, ensuring flexibility for unknown hardware constraints at deployment time. Our evaluations show that applying this scheme during pre-training or fine-tuning enables depth-wise cache sharing for various model families. Furthermore, for larger models in data-constrained settings, this approach is suggestive of a regularization-like effect, frequently preserving or improving performance while significantly reducing the cache's memory footprint.
Authors: Irene Tenison, Stella Ahn, Miriam Kim, Ebtisam Alshehri, Lalana Kagal
Abstract: Parameter-Efficient Fine-Tuning (PEFT) has become the standard for adapting large language models (LLMs). In this work we challenge the wide-spread assumption that parameter efficiency equates memory efficiency and on-device adaptability. We show that this is not true - while methods like LoRA and IA3 significantly reduce trainable parameters, they remain bound by intermediate tensors that scale linearly with sequence length, often triggering out-of-memory errors on-device. In this work, we introduce LARS (Low-memory Activation-Rank Subspace), a novel adaptation framework that decouples memory consumption from sequence length. While prior PEFT methods apply low-rank constraints to model parameters, LARS instead constrains the activation subspace used during training, directly targeting the dominant source of memory consumption and fundamentally flattening the memory growth rate. LARS reduces the memory footprint by an average of 33.54% on GPUs and 51.95% on CPUs in comparison to LoRA across reasoning, understanding and long-context datasets using different models while maintaining competitive accuracy and throughput. Besides GPUs, we deploy on Raspberry Pi and consumer-grade CPUs to demonstrate that LARS provides a scalable path for sophisticated LLM personalization on resource-constrained hardware and edge devices.
Authors: Solon Falas, Markos Asprou, Charalambos Konstantinou, Maria K. Michael
Abstract: State estimation is a cornerstone of power system control-center operations, and its robust operation is increasingly a cyber-physical security concern as modern grids become more digitalized and communication-intensive. Neural network-based approaches have gained attention as alternatives to conventional model-based state estimation methods. Physics-Informed Neural Networks (PINNs), which embed power-flow consistency into the learning objective, have shown improved accuracy over existing approaches. This work proposes a PINN-based model for Power System State Estimation (PSSE) that protects the estimation process against the stealth-constrained AC False Data Injection Attacks (FDIAs) considered in this study. The model is developed without adversarial training. Instead, a dynamic loss-weighting formulation based on homoscedastic uncertainty learns the relative scaling of supervised data-fit and physics-residual terms during training, reducing sensitivity to manual weight tuning. Robustness is evaluated on the IEEE 118-bus system using representative stealthy-FDIA families including state distortion, load redistribution, line overloading, and residual-constrained stealth corruption. Performance is measured using Mean Absolute Error (MAE) on voltage magnitudes and phase angles. Results demonstrate higher accuracy and stability than existing fixed-weight PINN variants.
Authors: Stela Tong, Elai Ben-Gal
Abstract: Large language model (LLM) deployments increasingly rely on multi-agent architectures in which multiple models either compete through routing mechanisms or collaborate to produce a final answer. In both settings, the learning signal received by each agent is filtered by the system mechanism. Routing produces selection-gated feedback where only the chosen response is evaluated, while collaboration produces shared rewards that obscure the individual contribution of each agent. As a result, standard RLHF objectives designed for a single deployed policy become misspecified. We introduce CoFi-PGMA (Counterfactual Policy Gradients under Filtered Feedback for Multi-Agent LLMs), a unified framework for learning under filtered feedback in multi-agent LLM systems. Our approach derives a counterfactual per-agent training objective based on marginal contribution, which corrects the learning signal under both routing and collaborative mechanisms. For routing systems, the objective corresponds to off-policy corrections for selection-gated feedback, while for collaborative systems it reduces to leave-one-out difference rewards for credit assignment. We further analyze how softmax routing induces risk-sensitive incentives and provide practical training algorithms that integrate counterfactual estimators, multiturn-aware rewards, and policy optimization methods, and demonstrate the approach on a real-world reasoning dataset.
Authors: Archit Thorat
Abstract: We present AutoCompress, a transformer compression method motivated by an empirical finding: in small transformers, Layer 0 carries disproportionately high task-critical information, with an NTK-based importance score of 3.6 compared to a maximum of 0.054 for all other layers -- a gap of over 60x. Based on this finding, we propose Critical Layer Isolation (CLI), an architecture that protects Layer 0 at full dimensionality, compresses all intermediate layers through a learned bottleneck, and restores the full dimension at the final layer. Applied to GPT-2 Medium (354.8M parameters), CLI-GPT2 achieves 204.5 perplexity on WikiText-103 with only 143.8M parameters -- a 2.47x compression ratio and 59.5% parameter reduction. Crucially, an ablation study demonstrates that a uniform bottleneck baseline of comparable size achieves only 571.8 perplexity under identical training conditions, confirming that the architectural decision to protect Layer 0 -- rather than simply reducing model size -- is the primary driver of performance. Code and checkpoints are publicly available.
Authors: Yaw Osei Adjei (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Davis Opoku (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Ephraim Abotsi (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Kwadwo Owusu Amanqua (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Oliver Kornyo (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Elisha Soglo-Ahianyo (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana), Cephas Anertey Abbey (Kwame Nkrumah University of Science and Technology, Kumasi, Ghana)
Abstract: Africa's green industrialization imperative demands reliable infrastructure for monitoring air quality. We present a satellite-reanalysis PM2.5 fusion system trained on 2,068,901 records from 404 monitoring locations in 29 African countries (OpenAQ, 2017-2022), combining LightGBM with leakage-resistant spatial cross-validation and conformal prediction to quantify predictions and their geographic applicability limits. Under 5-fold location-grouped spatial cross-validation, LightGBM achieves RMSE = 30.83 +/- 5.07 ug/m3, MAE = 14.54 +/- 1.66 ug/m3, R2 = 0.134 +/- 0.023, and macro F1 = 0.336 +/- 0.018. This R2 is substantially below random-split benchmarks (>0.90) but reflects true geographic generalisation difficulty rather than model failure. Split conformal prediction targeting 90% marginal coverage reveals severe East Africa degradation (actual PICP = 65.3% vs. nominal 90%), consistent with medium-strength covariate shift (humidity KS = 0.2237, sat_pblh KS = 0.2558). We operationalise these findings through regional reliability flags (High/Medium/Low/Unreliable) and a monitor prioritisation score directing infrastructure expansion toward highest-burden unmonitored populations, directly supporting Africa's green industrial transition and SDGs 3.9, 7.1.2, 9, 11.6.2, and 13.
Authors: Felix Leonhard Janzen, Lukas Moddemann, Alexander Diedrich, Oliver Niggemann
Abstract: In many cyber-physical systems, especially in critical applications such as aeroplanes, data to train anomaly detection and diagnosis algorithms is lacking due to data protection issues and partial observability. To combat this inherent lack of data, we introduce a high-fidelity, physics-informed co-simulation of a common aircraft main-fuel-pump system modelled in \textsc{MATLAB/Simulink Simscape Fluids}. We also describe its generated time-series data with health and fault mode annotations. To show feasibility of our benchmark, we apply an unsupervised Recurrent Variational Autoencoder (RNN-VAE) for anomaly detection and a SOM-VAE for operating mode discretization, trained to separate healthy and faulty conditions.
Authors: Maurice Funk, Daumantas Kojelis
Abstract: We study the expressive power of message-passing aggregate-combine-readout graph neural networks (ACR-GNNs). Particularly, we focus on the first-order (FO) properties expressible by this formalism. While a tight logical characterisation remains a difficult open question, we make two contributions towards answering it. First, we show that sum aggregation and readout suffice for GNNs to capture FO properties that cannot be expressed in the logic C2 on both directed and undirected graphs. This strengthens known results by Hauke and Wa{\l}{\k e}ga (2026) where aggregation and readout functions are specially crafted for the task. Second, we identify two natural ways of restoring characterisability (with regard to C2) for ACR-GNNs. One option is to limit local aggregation (without imposing restrictions on global readout), whilst the second is to run ACR-GNNs over graphs of bounded degree (but unbounded size). In both cases, the FO properties captured by GNNs are exactly those definable by a formula in graded modal logic with global counting modalities. Our results thus establish an innate lower- and upper-bound in terms of how far (fragments of) C2 can be taken to characterise GNNs, and imply that is indeed the unbounded interaction of aggregation and readout that pushes the logical expressive power of GNNs above C2.
Authors: Elias Hossain, Mohammad Jahid Ibna Basher, Ivan Garibay, Ozlem Garibay, Niloofar Yousefi
Abstract: Offline reinforcement learning (RL) can learn effective policies from fixed datasets, but deployment objectives may change after training, and in many applications the trained actor cannot be retrained because of data, cost, or governance constraints. We study deployment-time adaptation for frozen offline actors using Product-of-Experts (PoE) composition with a goal-conditioned prior. Our main practical finding is graceful degradation rather than universal performance gain: under degraded or random priors, precision-weighted composition remains anchored to the frozen actor, while additive and prior-only adaptation collapse, and a KL-budget selector often recovers a near-oracle operating point. We also make explicit a closed-form identity in the frozen-actor setting: for diagonal-Gaussian actors and priors, PoE with coefficient alpha yields the same deterministic policy as KL-regularized adaptation with beta = alpha / (1 - alpha), with posterior covariances differing only by a global scalar factor. Empirically, across four D4RL environments (3,900 MuJoCo episodes), we observe a 4/5/3 HELP/FROZEN/HURT split. Extending the analysis to six harder cells and two AntMaze diagnostics reveals an actor-competence ceiling: medium-expert remains HURT in all 9 cells at every tested alpha, while AntMaze with a behavior-cloned frozen actor yields zero success for all composition rules. Overall, PoE and KL-regularized adaptation are best viewed as a single actor-anchored safety mechanism for deployment-time steering.
Authors: Xin Wang, Chi Ma, Shaobin Chen, Pu Wang, Menglei Zhou, Junyi Qiu, Qiaorui Chen, Jiayu Sun, Shijie Liu, Zehuan Wang, Lei Yu, Chuan Liu, Fei Jiang, Wei Lin, Hao Wang, Jiawei Jiang, Xiao Yan
Abstract: Generative recommendation (GR) offers superior modeling capabilities but suffers from prohibitive inference costs due to the repeated encoding of long user histories. While cross-request Key-Value (KV) cache reuse presents a significant optimization opportunity, the massive scale of individual user states creates a storage explosion that far exceeds physical GPU limits. We propose MTServe, a hierarchical cache management system that virtualizes GPU memory by leveraging host RAM as a scalable backup store. To bridge the I/O gap between tiers, MTServe introduces a suite of system-level optimizations, including a hybrid storage layout, an asynchronous data transfer pipeline, and a locality-driven replacement policy. On both public and production datasets, MTServe delivers up to 3.1* speedup while maintaining near-perfect hit ratios (>98.5%).
Authors: Matilde Fiore, Andrea Bresciani, Miguel Alfonso Mendez, Jeroen van Beeck
Abstract: Modern container ships face higher wind loads due to increased windage areas, making accurate predictions of wind loads essential for mooring design. Existing empirical models, largely developed for container ships with smaller windage areas and simpler geometrical configurations than those of modern large-scale vessels, often lack accuracy and do not account for the influence of nearby structures. This study proposes a multi-fidelity surrogate modelling framework for the prediction of wind-load coefficients, combining empirical correlations with simplified and detailed CFD models for ships in open-sea and harbor environments. The approach relies on recursive co-kriging to consistently fuse information across fidelity levels, enabling accurate predictions at a reduced computational cost. A sensitivity analysis is used to identify the most influential geometric parameters, and the resulting reduced parameter space is explored through sequential sampling to efficiently construct the training database. The surrogate models are validated over a wide range of loading configurations and for two distinct harbor environments. The results demonstrate that the multi-fidelity approach significantly improves prediction accuracy compared to single-fidelity models, while substantially reducing the reliance on high-fidelity simulations. In particular, the proposed framework captures the dependence of wind loads on key geometric parameters and consistently outperforms traditional empirical correlations, providing a robust and efficient tool for engineering applications.
Authors: Jinming Yang, Chuxian Qiu, Zhenyu Deng, Xinshan Jiao, Tao Zhou
Abstract: LLM-as-a-Judge has become a dominant approach in automated evaluation systems, playing critical roles in model alignment, leaderboard construction, quality control, and so on. However, the scalability and trustworthiness of this approach can be substantially distorted by Self-Preference Bias (SPB), which is a directional evaluative deviation in which LLMs systematically favor or disfavor their own generated outputs during evaluation. Existing measurements rely on costly human annotations and conflate generative capability with evaluative stance, and thus are impractical for large-scale deployment in real-world systems. To address this issue, we introduce a fully automated framework to quantifying and mitigating SPB, which constructs equal-quality pairs of responses with negligible quality differences, enabling statistical disentanglement of discriminability from bias propensity without human gold standards. Empirical analysis across 20 mainstream LLMs reveals that advanced capabilities are often uncorrelated, or even negatively correlated, with low SPB. To mitigate this bias, we propose a structured multi-dimensional evaluation strategy grounded in cognitive load decomposition, which reduces SPB by 31.5\% on average.
Authors: A. Yermekov, D. A. Herrera-Mart\'i
Abstract: Feature selection in high-dimensional genomic data ($d \gg n$) demands methods that are simultaneously accurate, sparse, and stable. Existing approaches either require manual threshold specification (mRMR, stability selection), produce unstable selections under data perturbation (Lasso, Boruta), or ignore biological structure entirely. We introduce StackFeat-RL, a meta-learning framework that optimises the hyperparameters of an iterative dual-criterion feature selection algorithm via REINFORCE policy gradients. The dual criterion, requiring both coefficient consistency and selection frequency, guards against two failure modes missed by single-criterion methods, while iterative accumulation provides convergence guarantees via the law of large numbers. On COVID-19 miRNA data (GSE240888, 332 features) and three Alzheimer's disease classification tasks (GSE84422, 13237 genes; Normal vs.\ Possible, Probable, and Definite AD), StackFeat-RL achieves the highest predictive accuracy among all evaluated methods, including ElasticNet, Boruta, mRMR, and stability selection, while requiring 3--4$\times$ fewer features. Keywords: feature selection, reinforcement learning, REINFORCE, elastic net, biomarker discovery, Alzheimer's disease, dual-criterion selection, protein interaction networks
Authors: Minghui Xu, Qi Luo, Kun Li
Abstract: Traditional data valuation methods based on ``row-count $\times$ quality coefficient'' paradigms fail to capture the nuanced, nonlinear contributions that data makes to Large Language Model (LLM) capabilities. This paper presents a dynamic data valuation framework that transitions from static accounting to utility-based pricing. Our approach operates on three layers: (1) token-level information density metrics using Shannon entropy and Data Quality Scores; (2) empirical training gain measurement through influence functions, proxy model strategies, and Data Shapley values; and (3) cryptographic verifiability through hash-based commitments, Merkle trees, and a tamper-evident training ledger. We provide comprehensive experimental validation on three real domains (instruction following, mathematical reasoning, and code summarization), demonstrating that proxy-based empirical gain achieves near-perfect ranking alignment with realized utility, substantially outperforming row-count and token-count baselines. This framework enables a fair Data-as-a-Service economy where high-reasoning data is priced according to its actual contribution to model intelligence, while providing the transparency and auditability necessary for trustworthy data markets.
Authors: Dong Liu, Haisheng Wang, Yanxuan Yu
Abstract: Diffusion models achieve remarkable success in time series generation. However, slow inference limits their practical deployment. We propose E$^2$-CRF (Error-Feedback Event-Driven Cumulative Residual Feature caching) to accelerate frequency domain diffusion models. Our method exploits two structural properties: (1) spectral localization, where signal energy concentrates in low frequencies, and (2) mirror symmetry, which halves the effective frequency dimension. E$^2$-CRF uses a closed-loop error-feedback system that adaptively caches transformer KV features across diffusion steps. We trigger recomputation using event-driven residual dynamics instead of fixed schedules. Our method selectively recomputes high-energy or rapidly-changing tokens while reusing cached features for stable high-frequency components. E$^2$-CRF achieves ~2.2 speedup while maintaining sample quality. We demonstrate effectiveness on 5 datasets. Our caching strategy naturally aligns with the diffusion process's structure-to-detail progression. We include sufficient-condition error and complexity bounds under standard regularity assumptions (Appendix), alongside empirical validation. Our code is available at https://github.com/NoakLiu/FastFourierDiffusion and is also integrated in https://github.com/NoakLiu/FastCache-xDiT.
URLs: https://github.com/NoakLiu/FastFourierDiffusion, https://github.com/NoakLiu/FastCache-xDiT.
Authors: L\'ivia Meinhardt, D\'ario Oliveira
Abstract: Understanding and representing complex climate variability is essential for both scientific analysis and predictive modeling. However, identifying meaningful climate regimes from raw variables is challenging, as they exhibit high noise and nonlinear dependencies. In this work, we explore the use of Masked Siamese Networks to discretize climate time series into semantically rich clusters. Focusing on daily minimum and maximum temperature, we show that the resulting representations: (i) yield clusters that reflect meaningful climate states under our modeling assumptions, offering a simplified representation for downstream use; (ii) enable sampling and analysis of specific climate scenarios; and (iii) exhibit statistical associations with El Ni\~no events, underscoring their scientific relevance. Our findings highlight the potential of self-supervised discretization as a tool for climate data analysis and open avenues for incorporating richer climate indicators in future work.
Authors: Jie Hu, Lingyun Chen, Geeho Kim, Jinyoung Choi, Bohyung Han, Do Young Eun
Abstract: History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose Score-Repellent Monte Carlo (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $R^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential score tilt, indexed with $\alpha$ that represents the strength of repellence in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $\pi$ can instead be run on the current surrogate $\pi_{\theta_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $\alpha$ increases, with scaling $O(1/\alpha)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.
Authors: Alex Nikulkov
Abstract: Reward models in RLHF are trained to score only the final token of a response - a choice that discards rich signal from every intermediate position and produces models whose token-level outputs are noise. We argue this is a missed opportunity: a well-trained reward model's output at any token should represent the conditional expectation of the final reward given the response so far. We introduce Temporally Coherent Reward Modeling (TCRM), which induces this property via two regularization terms on top of the standard Bradley-Terry loss, with minimizers provably equal to conditional expectations. The regularizers correspond to Monte Carlo and TD value-learning objectives, establishing a direct connection to RL value functions. TCRM requires zero changes to architecture, data, or inference, yet unlocks three capabilities from one principle: interpretable token-level reward trajectories (middle-token pairwise accuracy improved from 50% to 88.9%, final-token accuracy preserved); state-of-the-art PRM performance on ProcessBench (44.9% average F1) among models trained only on outcome data; and unified reward/value modeling in PPO, reducing peak GPU memory by 27% and step time by 19% with matching LLM quality.
Authors: Leszek Siwik, Maciej Sikora, Natalia Leszczy\'nska, Tomasz Maciej Ciesielski, Eirik Valseth, Manuela Bastidas Olivares, Marcin {\L}o\'s, Tomasz S{\l}u\.zalec, Jacek Leszczy\'nski, Maciej Paszy\'nski
Abstract: In this paper, we propose a Physics-Informed Neural Network framework for time-dependent simulations of pollution propagation originating from moving emission sources. We formulate a robust variational framework for the time-dependent advection-diffusion problem and establish the boundedness and inf-sup stability of the corresponding discrete weak formulation. Based on this mathematical foundation, we construct a robust loss function that is directly related to the true approximation error, defined as the difference between the neural network approximation and the (unknown) exact solution. Additionally, a collocation-based strategy is introduced to speed up neural network training. As a case study, we investigate pollution propagation caused by snowmobile traffic in Longyearbyen, Spitsbergen, supported by detailed in-field measurements collected using dedicated sensors. The proposed framework is applied to analyze the effects of thermal inversion on pollutant accumulation. Our results demonstrate that thermal inversion traps dense and humid air masses near the ground, significantly enhancing particulate matter (PM) concentration and worsening local air quality.
Authors: Jeremy Ellis
Abstract: This paper presents a complete, end-to-end on-device vision machine learning pipeline, comprising data acquisition, two-layer CNN training with Adam optimization, and real-time inference, executing entirely on a microcontroller-class device costing $15-40 USD. Unlike cloud-based workflows that require external infrastructure and conceal the computational pipeline from the practitioner, this system implements every step of the core ML lifecycle in approximately 1,750 lines of readable C++ that compiles in under one minute using the Arduino IDE, with no external ML dependencies. Running on the Seeed Studio ESP32-S3 XIAO ML Kit (8 MB PSRAM), the firmware achieves three-class 64x64 image classification in approximately 9 minutes per training run, with real-time inference at 6.3 FPS. Key contributions include: correct batch-level gradient accumulation; pre-computed resize lookup tables for inference; dual-format weight export for SD-free baked-in deployment; a three-tier weight priority system (SD binary > baked-in header > He-initialization) resolved automatically at boot; a single-constant network reconfiguration interface; and PSRAM-aware memory management suited to microcontroller constraints. All source code and reference datasets are released under the MIT License at https://github.com/webmcu-ai/on-device-vision-ai
Authors: Natanael Alpay, Emeric Battaglia
Abstract: Stochastic Gradient Descent (SGD) is a known stochastic iterative method popular for large-scale convex optimization problems due to its simple implementation and scalability. Some objectives, such as those found in complex-valued neural networks, benefit from updates like in SGD and Gradient Descent (GD) with a newly defined ``gradient'' that allows for complex parameters. This complex variant of the SGD/GD methods has already been proposed, but convergence guarantees without analyticity constraints have not yet been provided. We propose a variant of SGD (complex SGD) that allows for complex parameters, and we provide convergence guarantees under assumptions that parallel those from the real setting. Notably, these results extend to GD as well, and with the same set of assumptions, we confirm that some directional bias results extend from the real to the complex setting for kernel regression problems. We provide empirical results demonstrating the efficacy of the complex SGD in kernel regression problems utilizing complex reproducing kernel Hilbert spaces. In particular, we demonstrate we may recover superoscillation functions and Blaschke products from the Fock Space and Hardy Space, respectively, as the optimal functions for a particular choice of a loss function.
Authors: Haoze He, Xingyuan Ding, Xuan Jiang, Xinkai Zou, Alex Cheng, Yibo Zhao, Juncheng Billy Li, Heather Miller
Abstract: Despite MoE models leading many benchmarks, supervised fine-tuning (SFT) for the MoE architectures remains difficult because its router layers are fragile. Methods such as DenseMixer and ESFT mitigate router collapse with dense mixing or auxiliary load-balancing losses, but these introduce noisy gradients that often degrade performance. In preliminary experiments, we systematically pruned experts and observed that while certain super experts are activated far more frequently, discarding less used experts still leads to notable performance degradation. This suggests that even rarely activated experts encode non-trivial knowledge useful for downstream tasks. Motivated by this, we propose an auxiliary-loss-free MoE SFT framework that combines bias-driven sparsification with always-active gated condenser experts. Rather than enforcing balanced activation across all experts, our method encourages task-relevant experts to remain active while pushing long-tailed experts toward inactivity. The condenser experts provide a persistent, learnable pathway that alleviates gradient starvation and facilitates consolidation of information that would otherwise remain fragmented across sparsely activated experts. Analysis further suggest that this design better preserves long-tailed expert information under sparse routing. Experiments on large-scale MoE models demonstrate that our approach outperforms state-of-the-art SFT baselines such as DenseMixer and ESFT, achieving average gain of 2.5%+ on both mathematical reasoning and commonsenseQA benchmarks.
Authors: Kamlesh Sawadekar, Seth McGinnis, Peijun Li, Chaopeng Shen
Abstract: Systematic biases in Global Circulation Model (GCM) outputs limit their direct applicability in regional planning, necessitating bias correction. Correcting precipitation is particularly challenging due to its non-Gaussian distribution, intermittent nature, and non-linear extremes. However, traditional statistical methods cannot learn from big data and easily address systematic biases in the GCMs, and while machine learning does provide this flexibility, their black-box type functionality hinders us from understanding these biases completely which also further prevents generalization across different GCMs and locations, especially for precipitation. In this study, we propose a differentiable bias adjustment framework called {\delta}CLIMBA (or dCLIMBA), that learns a spatiotemporally adaptive parametric bias adjustment procedure between historical CMIP6 model outputs and reference reanalysis datasets (Livneh). Results demonstrate that the proposed method accurately corrects both the magnitude and distribution of extreme storm events, with particularly strong performance in capturing extremes. The quantile distribution of precipitation is well reproduced across diverse U.S. cities, and spatial patterns perform comparably to the widely used LOCA2 statistical downscaling technique. In addition, the framework showed future trend preservation unlike pure quantile based methods and LOCA2; and results from bias correction over unseen regions showed that the marginal biases were attenuated. This work presents a modular, computationally efficient and extensible bias correction approach that is physically informed, scalable, and compatible with both historical and future applications. Its flexibility makes it suitable for integration into Earth system post-processing pipelines and impact workflows.
Authors: Kennon Stewart
Abstract: We argue that current definitions of machine unlearning are underspecified for second-order optimizers. We compare first-order and second-order learners for their ability to handle the data deletion task with varying degrees of eigendecomposition to mimic the loss model memory. While both first and second-order methods realign with the ideal counterfactul in terms of performance and gradient, the second-order optimizer shows significant volatility in the optimizer state. This indicates residual information, supposedly deleted, that isn't detectable by first-order analysis. Various eigendecay treatments show that stability and information loss is regained only under controlled state pertubation where geometric information (or memory) is erased.
Authors: Weimin Huang, Natalie M. Isenberg, J\'an Drgo\v{n}a, Draguna L Vrabie, Bistra Dilkina
Abstract: Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly identify high-quality solutions within a short amount of time. Recently, a growing body of research has also used machine learning to accelerate solution methods for challenging combinatorial optimization problems. Despite the increasing popularity of these ML-guided methods, a large body of work has focused on Mixed-Integer Linear Programs (MILPs). MBQPs are challenging to solve due to the combinatorial complexity coupled with nonlinearities. This work proposes ML-guided primal heuristics for Mixed Binary Quadratic Programs (MBQPs) by adapting and extending existing work on ML-guided MILP solution prediction to MBQPs. We introduce a new neural network architecture for MBQP solution prediction and a new training data collection procedure. Moreover, we extend existing loss functions in solution prediction and propose to combine contrastive and weighted cross-entropy losses. We evaluate the methods on standard and real-world MBQP benchmarks and show that the developed ML-guided methods significantly outperform existing primal heuristics and state-of-the-art solvers. Furthermore, models trained with our proposed extension with combined losses outperform other ML-based methods adapted from MILPs and improve generalization in cross-regional inference on a real-world wind farm layout optimization problem.
Authors: Zixuan Xia, Quanxi Li
Abstract: We propose a simple yet effective alternative to reward normalization in policy gradient reinforcement learning by integrating a 1D Kalman filter for online reward estimation. Instead of relying on fixed heuristics, our method recursively estimates the latent reward mean, smoothing high-variance returns and adapting to non-stationary environments. This approach incurs minimal overhead and requires no modification to existing policy architectures. Experiments on \textit{LunarLander} and \textit{CartPole} demonstrate that Kalman-filtered rewards significantly accelerate convergence and reduce training variance compared to standard normalization techniques. Code is available at https://github.com/Sumxiaa/Kalman_Normalization.
Authors: Rui Gao, Youngseung Jeon, Swastik Roy, Morteza Ziyadi, Xiang 'Anthony' Chen
Abstract: Large language models (LLMs) show promise for molecular optimization, but aligning them with selective and competing drug-design constraints remains challenging. We propose C-Moral, a reinforcement learning post-training framework for controllable multi-objective molecular optimization. C-Moral combines group-based relative optimization, property score alignment for heterogeneous objectives, and continuous non-linear reward aggregation to improve stability across competing properties. Experiments on the C-MuMOInstruct benchmark show that C-Moral consistently outperforms state-of-the-art models across both in-domain and out-of-domain settings, achieving the best Success Optimized Rate (SOR) of 48.9% on IND tasks and 39.5% on OOD tasks, while largely preserving scaffold similarity. These results suggest that RL post-training is an effective way to align molecular language models with continuous molecular design objectives. Our code and models are publicly available at https://github.com/Rwigie/C-MORAL.
Authors: Charles Xu, Jost Tobias Springenberg, Michael Equi, Ali Amin, Adnan Esmail, Sergey Levine, Liyiming Ke
Abstract: Vision-language-action (VLA) models can learn to perform diverse manipulation skills "out of the box," but achieving the precision and speed that real-world tasks demand requires further fine-tuning -- for example, via reinforcement learning (RL). We introduce a lightweight method that enables sample-efficient online RL fine-tuning of pretrained VLAs using just a few hours of real-world practice. We (1) adapt the VLA to expose an "RL token," a compact readout representation that preserves task-relevant pretrained knowledge while serving as an efficient interface for online RL, and (2) train a small actor-critic head on this RL token to refine the actions, while anchoring the learned policy to the VLA. Online RL with the RL token (RLT) makes it possible to fine-tune even large VLAs with RL quickly and efficiently. Across four real-robot tasks (screw installation, zip tie fastening, charger insertion, and Ethernet insertion), RLT improves the speed on the hardest part of the task by up to 3x and raises success rates significantly within minutes to a few hours of practice. It can even surpass the speed of human teleoperation on some of the tasks.
Authors: Kuntal Kokate, Bruno Aristimunha, Dung Truong, Arnaud Delorme
Abstract: Scaling EEG foundation models requires pooling data across heterogeneous electrode montages, a prerequisite both for larger pretraining corpora and for downstream deployment. We present the first systematic comparison of four channel adaptation methods (Conv1d projection, spherical spline interpolation (SSI), source-space decomposition, and Riemannian re-centering) across five pretrained EEG foundation models (5M--157M parameters), five downstream tasks, and two training regimes with 10--15 random seeds each. We find that rigid-montage models (BENDR, Neuro-GPT) require external adaptation, while flexible models (EEGPT, CBraMod) match or exceed it natively when fine-tuned but benefit from external methods under frozen-encoder deployment. A probe-SFT asymmetry exists: external adaptation can cause severe negative transfer during fine-tuning of flexible models. The optimal method is architecture-dependent (Conv1d for BENDR, SSI/Riemannian for Neuro-GPT, source-space decomposition for depression detection), and 5M-parameter CBraMod outperforms models up to 31$\times$ larger on 4/5 datasets, consistent with independent findings that compact EEG-specific architectures can match larger models.
Authors: Yizheng Huang, Wenjun Zeng, Aditi Kumaresan, Zi Wang
Abstract: Evaluating generative AI models is increasingly resource-intensive due to slow inference, expensive raters, and a rapidly growing landscape of models and benchmarks. We propose ProEval, a proactive evaluation framework that leverages transfer learning to efficiently estimate performance and identify failure cases. ProEval employs pre-trained Gaussian Processes (GPs) as surrogates for the performance score function, mapping model inputs to metrics such as the severity of errors or safety violations. By framing performance estimation as Bayesian quadrature (BQ) and failure discovery as superlevel set sampling, we develop uncertainty-aware decision strategies that actively select or synthesize highly informative inputs for testing. Theoretically, we prove that our pre-trained GP-based BQ estimator is unbiased and bounded. Empirically, extensive experiments on reasoning, safety alignment, and classification benchmarks demonstrate that ProEval is significantly more efficient than competitive baselines. It requires 8-65x fewer samples to achieve estimates within 1% of the ground truth, while simultaneously revealing more diverse failure cases under a stricter evaluation budget.
Authors: Qishi Zhan, Minxuan Hu, Guansu Wang, Jiaxin Liu, Liang He
Abstract: Standard evaluations of Bayesian deep learning methods assume that metric estimates are reliable, but we show this assumption fails under data scarcity. Method rankings are not only unreliable at small $n$, but also dataset-dependent in ways that point estimates cannot reveal: the same method comparison yields $P(\mathrm{MCD} \prec \mathrm{Ensemble}) = 1.000$ at $n = 50$ on one dataset and remains below $0.95$ even at $n = 500$ on another. Across the datasets we consider, no universal sample size threshold exists, which is precisely why dataset-specific posterior inference is necessary. To address this, we use a Bayesian hierarchical model with method-specific variances to treat evaluation metrics as random variables across data realizations, and we use a predictive Minimum Detectable Difference curve to assess whether an observed gap would be detectable at a given training size. Across six Bayesian deep learning methods and five regression datasets, our results show that uncertainty-aware evaluation is necessary in low-data settings, because current evidence for method superiority and predictive detectability at the same training size can diverge substantially. Our framework provides practitioners with principled tools to determine whether their evaluation data is sufficient before drawing conclusions about method superiority.
Authors: Wugeng Zheng, Ziwen Kan, Katie Wang, Chen Chen, Song Wang
Abstract: Multimodal Federated Learning (MMFL) enables privacy-preserving collaborative training, but real-world clinical applications often suffer from within-modality missingness caused by sensor intermittency or irregular sampling. Existing methods implicitly represent unobserved data via architectural alignment or missing embeddings, often failing to recover the true distribution and yielding sub-optimal performance. We propose CondI, a federated framework explicitly addressing this missingness using conditional diffusion models. CondI employs a two-phase training pipeline: first, imputing unobserved temporal components using available multimodal context and conditional embeddings; second, optimizing modality-specific extractors and joint embedding spaces. During inference, imputed raw data pass through trained extractors to generate robust features, providing a holistic representation for downstream tasks. Explicit data imputation ensures models operate on complete semantic structures, significantly enhancing resilience against severe data incompleteness. Experiments on three clinical datasets (PTB-XL, SLEEP-EDF, MIMIC-IV) demonstrate CondI achieves comparable results to state-of-the-art baselines. Code: https://github.com/ZhengWugeng/CondI
Authors: Qishi Zhan, Minxuan Hu, Liang He, Guansu Wang, Jiaxin Liu
Abstract: In limited-data settings, a single endpoint mean of an evaluation metric such as the Continuous Ranked Probability Score (CRPS) is itself a random variable, yet it is routinely reported as if it were a stable property of the method. We study when this practice fails. Using 50 independent repetitions across six regression datasets, we show that CRPS variance trajectories differ substantially across methods and are not always well described by a smooth power-law decay. Methods with a learned heteroscedastic variance head, namely MAP and Deep Ensembles, can develop pronounced, reproducible variance peaks at intermediate training sizes on real datasets, whereas MC Dropout and Bayes by Backprop typically show smooth variance contraction. These peaks have direct practical consequences: at the variance peak on Seoul Bike, the relative RMSE of a single-seed MAP estimate reaches 93.6\%, and the probability of falling within \(\pm 10\%\) of the repeated-run mean drops to 5.9\%. We show that local CRPS variance provides a direct signal of single-seed estimation error, with Spearman correlations above 0.96 on every real dataset. Power-law fit quality and monotonicity together provide compact method-level summaries of trajectory regularity. Finally, replacing the standard heteroscedastic objective with \(\beta\)-NLL substantially reduces the irregular behavior, consistent with the view that the heteroscedastic training objective contributes to the instability. Practitioners should report trajectory summaries alongside endpoint means and concentrate repeated evaluation in high-variance regions.
Authors: Junxiao Kong, Chupei Tang, Di Wang, Jixiu Zhai, Yi He, Moyu Tang, Tianchi Lu
Abstract: Accurate prediction of drug-target binding affinity accelerates drug discovery by prioritizing compounds for experimental validation. Current methods face three limitations: sequence-based approaches discard spatial geometric constraints, structure-based methods fail to exploit hydrogen bond features, and conventional loss functions neglect prediction-target correlation, a key factor for identifying high-affinity compounds in virtual screening. We developed HBGSA (Hydrogen Bond Graph with Self-Attention), a 3.06M-parameter model that encodes hydrogen bond spatial features. HBGSA uses graph neural networks to model hydrogen bond spatial topology with self-attention enhancement and Pearson correlation loss. Experimental results on PDBbind Core Set and CSAR-HiQ dataset demonstrate that HBGSA outperforms baseline methods with strong generalization capability. Ablation studies confirm the effectiveness of hydrogen bond modeling and Pearson correlation loss.
Authors: Yanru Qu, Yijie Zhang, Wenjuan Tan, Xiangzhe Kong, Xiangxin Zhou, Chaoran Cheng, Mathieu Blanchette, Jiaxuan You, Ge Liu
Abstract: Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and {\pi} stacking, occur only under specific local conditions. Most existing approaches represent molecules as atom-level graphs; however, atom-level representations can hardly express higher-order chemical context (e.g., stereochemistry, lone pairs, conjugation). Fragment-based methods (e.g., principal subgraph, predefined functional groups) fail to preserve essential information such as chirality, aromaticity, and ionic states. This work addresses these limitations from two aspects. (i) OverlapBPE tokenization. We propose a novel data-driven molecule tokenization method. Unlike existing approaches, our method allows overlapping fragments, reflecting the inherently fuzzy boundaries of small-molecule substructures and, together with enriched chemical information at the token level, thereby preserving a more complete chemical context. (ii) h-MINT model. OverlapBPE induces many-to-many atom-fragment mappings, which necessitate a new hierarchical architecture. We therefore develop a hierarchical molecular interaction network capable of jointly modeling interactions at both atom and fragment levels. By supporting fragment overlaps, the model naturally accommodates the many-to-many atom-fragment mappings introduced by the OverlapBPE scheme. Extensive evaluation against state-of-the-art methods shows our method improves binding affinity prediction by 2-4% Pearson/Spearman correlation on PDBBind and LBA, enhances virtual screening by 1-3% in key metrics on DUD-E and LIT-PCBA, and achieves the best overall HTS performance on PubChem assays. Further analysis demonstrates that our method effectively captures interactive information while maintaining good generalization.
Authors: William Feng, Ethan Lou, Aryan Sharma
Abstract: Natural-language variation poses a key challenge in Lean autoformalization: semantically equivalent paraphrases of the same theorem statements can induce divergent formal outputs, yet it remains unclear whether this variation reflects semantic disagreements or shallower failures. We investigate this question in Lean 4 using 60 deterministic paraphrase rules applied to ProofNet\# and miniF2F. Across four GPT-family models and three open-weight 7B autoformalizers, we find that the observed paraphrase sensitivity reflects compilation-boundary failures rather than semantic divergence among successful formalizations. In particular, when both baseline and perturbed outputs compile, paired predictions are semantically equivalent under BEq+ and structurally near-identical under GTED. By contrast, paraphrasing substantially affects whether outputs compile, with failure modes varying across datasets and perturbation classes. Our results suggest that future training-time interventions should target the compile boundary rather than the semantic layer, and that benchmarks should separate compile-conditional equivalence from surface consistency.
Authors: Abhimanyu Bambhaniya, Geonhwa Jeong, Jason Park, Jiecao Yu, Jaewon Lee, Pengchao Wang, Changkyu Kim, Chunqiang Tang, Tushar Krishna
Abstract: Most recent state-of-the-art (SOTA) large language models (LLMs) use Mixture-of-Experts (MoE) architectures to scale model capacity without proportional per-token compute, enabling higher-quality outputs at manageable serving costs. However, MoE inference at scale is fundamentally bottlenecked by expert load imbalance and inefficient token routing, especially in multi-node deployments where tokens are not guaranteed to be routed to local experts, resulting in significant inter-node all-to-all communication overhead. To systematically characterize these challenges, we profile SOTA open-source MoE models, including Llama 4 Maverick, DeepSeek V3-671B, and Qwen3-230B-A22B, on various datasets and collected over 100k real expert activation traces. Upon studying the expert activation patterns, we uncover various persistent properties across all the frontier MoE models: variable expert load imbalance, domain-specific expert activation where expert popularity shifts across task families (code, math, chat, general), and a strong correlation between prefill and decode expert activations. Motivated by these findings, we propose workload-aware micro-batch grouping and an expert placement strategy to maximize token locality to the destination expert, thereby reducing inter-node communication. Across models and datasets, these optimizations help reduce all2all communication data up to 20, resulting in lower MoE decode latency and better accelerator utilization.
Authors: Terry Gou, Puneet Gupta
Abstract: In this work, we developed and tested 3 techniques for vector quantization (VQ) based model weight compression. To mitigate codebook collapse and enable end-to-end training, we adopted cosine similarity-based assignment. Building on ideas from attention-based formulations in Differentiable K-Means (DKM), we further improved this approach by using cosine similarity for assignment combined with top-1 sampling and a straight-through estimator, thereby eliminating the need for weighted-average reconstruction. Finally, we investigated the use of differentiable neural architecture search (NAS) to adaptively select layer-wise quantization configurations, further optimizing the compression process. Although our method does not consistently outperform existing approaches across all quantization levels, it provides useful insights into the design trade-offs and behaviors of VQ-based model compression methods.
Authors: Xinyue Zhang, Yuanhao Ding, Xiang Ao
Abstract: Delayed feedback poses a core challenge for online CVR prediction, forcing a trade-off between label accuracy and data freshness. Existing methods address this through delay modeling or sample reweighting, yet neglect how post-click behaviors evolve over the observation period. To overcome this limitation, we formalize this evolution as feedback trajectory and propose TRACE. Instead of forcing hard labels on unrevealed samples, our method evaluates how well the accumulated feedback status aligns with conversion versus non-conversion, dynamically refining posteriors without waiting for final outcomes. To counteract early-stage trajectory sparsity, we further design a reliability-gated retrospective completer that leverages full-lifecycle data to provide adaptive posterior guidance for unrevealed samples. Extensive experiments validate TRACE's superiority over state-of-the-art baselines and confirm the retrospective completion module as a model-agnostic enhancer for existing systems. Our code is available at https://github.com/LunaZhangxy/TRACE.
Authors: Yaru Liu, Michael K. Ng, Yiqi Gu
Abstract: This paper investigates the deep learning optimization problem with softmax cross-entropy loss. We propose a layer separation strategy to alleviate the strong nonconvexity encountered during training deep networks. For cross-entropy models with fully connected and convolutional neural networks, we introduce auxiliary variables associated with hidden layer outputs and construct corresponding layer separation models, which decompose the original deeply nested optimization problem into a sequence of more manageable subproblems. We also conduct theoretical analyses, proving that the new layer separation loss provides an upper bound for the original cross-entropy loss. Moreover, we design alternating minimization algorithms and prove that, under appropriate conditions, these algorithms exhibit decreasing properties of the loss function. Numerical experiments validate the effectiveness of the proposed methods and indicate improved optimization behavior, especially for fully connected and convolutional neural networks.
Authors: Long Jing, Zhixiong Yang, Yajun Zhang, Xinlong Feng
Abstract: Human activity recognition serves as the foundation for various emerging applications. In recent years, researchers have used collaborative sensing of multi-source sensors to capture complex and dynamic human activities. However, multimodal human activity sensing typically encounters highly heterogeneous data across modalities and label scarcity, resulting in an application gap between existing solutions and real-world needs. In this paper, we propose CLMM, a general contrastive learning framework for human activity recognition that achieves effective multimodal recognition with limited labeled data. CLMM employs a novel two-stage training strategy. In the first stage, CLMM employs a CNN-DiffTransformer encoder to capture cross-modal shared information by extracting local and global features. Meanwhile, a hard-positive samples weighting algorithm enhances gradient propagation to reinforce shared learning. In the second stage, a dual-branch architecture combining quality-guided attention and bidirectional gated units captures modality-specific information, while a primary-auxiliary collaborative training strategy fuses both shared and modality-specific information. Experimental results on three public datasets demonstrate that CLMM significantly improves state-of-the-art baselines in both recognition accuracy and convergence performance.
Authors: Zhiyuan Zhai, Ming Li, Xin Wang
Abstract: Current LLM agents operate under an implicit but universal assumption: execution is a transaction -- the user submits a request, the agent works in isolation, and only upon completion does the dialogue resume. This forces users into a binary choice: wait for a potentially incorrect output, or interrupt and lose all progress. We reject this assumption and propose the stream paradigm, in which agent execution and user intervention are concurrent, interleaved processes sharing a bidirectional channel. We formalize this paradigm through a reversibility taxonomy that classifies every agent action as Idempotent, Reversible, Compensable, or Irreversible, and arrive at a core conclusion: an agent's flexibility is bounded by its reversibility. We prove that conflicting compensable actions impose unavoidable adaptation costs and that conflicting irreversible actions make full specification satisfaction impossible -- these costs are properties of the action space, not of the algorithm. Guided by this insight, we present the Revision Absorber, a reactive algorithm based on the Earliest-Conflict Rollback rule that is structurally optimal under mild assumptions. Experiments on StreamBench with real LLM agents validate all predictions: the Absorber matches the quality of a brute-force full-restart baseline while wasting an order of magnitude fewer steps of already-completed work, turning mid-execution revisions from a dead-end into a first-class interaction.
Authors: Varun Totakura, Ankita Singh, Yushun Dong, Shayok Chakraborty
Abstract: Active learning algorithms automatically identify the most informative samples from large amounts of unlabeled data and tremendously reduce human annotation effort in inducing a machine learning model. In a conventional active learning setup, the labeling oracles are assumed to be infallible, that is, they always provide correct answers (in terms of class labels) to the queried unlabeled instances, which cannot be guaranteed in real-world applications. To this end, a body of research has focused on the development of active learning algorithms in the presence of imperfect / noisy oracles. Existing research on active learning with noisy oracles typically simulate the oracles using machine learning models; however, real-world situations are much more challenging, and using ML models to simulate the annotation patterns may not appropriately capture the nuances of real-world annotation challenges. In this research, we first collect annotations of text samples (from 3 benchmark text classification datasets) from crowd-sourced workers through a crowd-sourcing platform. We then conduct extensive empirical studies of 8 commonly used active learning techniques (in conjunction with deep neural networks) using the obtained annotations. Our analyses sheds light on the performance of these techniques under real-world challenges, where annotators can provide incorrect labels, and can also refuse to provide labels. We hope this research will provide valuable insights that will be useful for the deployment of deep active learning systems in real-world applications. The obtained annotations can be accessed at https://github.com/varuntotakura/al_rcta/.
Authors: Thibaud Southiratn, Bonil Koo, Yijingxiu Lu, Sun Kim
Abstract: Dual-target molecule generation, which focuses on discovering compounds capable of interacting with two target proteins, has garnered significant attention due to its potential for improving therapeutic efficiency, safety and resistance mitigation. Existing approaches face two critical challenges. First, by simplifying the complex dual-target optimization problem to scalarized combinations of individual objectives, they fail to capture important trade-offs between target engagement and molecular properties. Second, they typically do not integrate synthetic planning into the generative process. This highlights a need for more appropriate objective function design and synthesis-aware methodologies tailored to the dual-target molecule generation task. In this work, we propose CombiMOTS, a Pareto Monte Carlo Tree Search (PMCTS) framework that generates dual-target molecules. CombiMOTS is designed to explore a synthesizable fragment space while employing vectorized optimization constraints to encapsulate target affinity and physicochemical properties. Extensive experiments on real-world databases demonstrate that CombiMOTS produces novel dual-target molecules with high docking scores, enhanced diversity, and balanced pharmacological characteristics, showcasing its potential as a powerful tool for dual-target drug discovery. The code and data is accessible through https://github.com/Tibogoss/CombiMOTS.
Authors: Marcel Hedman, Kale-ab Abebe Tessera, Juan Claude Formanek, Anya Sims, Riccardo Zamboni, Trevor McInroe, John Torr, Elliot Fosong
Abstract: Offline multi-agent reinforcement learning (MARL) enables policy learning from fixed datasets, but is prone to coordination failure: agents trained on static, off-policy data converge to suboptimal joint behaviours because they cannot co-adapt as their policies change. We introduce CODA (Coordination via On-Policy Diffusion for Multi-Agent Reinforcement Learning), a diffusion-based multi-agent trajectory generator for data augmentation that samples conditioned on the current joint policy, producing synthetic experience which reflects the evolving behaviours of the agents, thereby providing a mechanism for co-adaptation. We find that previous diffusion-based augmentation approaches are insufficient for fostering multi-agent coordination because they produce static augmented datasets that do not evolve as the current joint policy changes during training; CODA resolves this by more closely simulating on-policy learning and is a meaningful step toward coordinated behaviours in the offline setting. CODA is algorithm-agnostic and can be layered onto both model-free and model-based offline reinforcement learning pipelines as an augmentation module. Empirically, CODA not only resolves canonical coordination pathologies in continuous polynomial games but also delivers strong results on the more complex MaMuJoCo continuous-control benchmarks.
Authors: Rory Young, Nicolas Pugeault
Abstract: Deep reinforcement learning policies achieve strong performance in complex continuous control environments with nonlinear contact forces. However, these policies often produce chaotic state dynamics, with trivially small changes to the initial conditions significantly impacting the long-term behaviour of the control system. This high sensitivity to initial conditions limits the application of Deep RL to real-world control systems where performance and stability guarantees are often required. To address this issue, we propose Global stabilisation via Intrinsic Fine Tuning (GIFT), a general-purpose training framework which directly optimises the global stability of existing high-performing deep RL policies using a custom reward function. We demonstrate that GIFT increase the stability of the control interaction while maintaining comparable task performance, thereby improving the suitability of deep RL policies for real-world control systems.
Authors: Taihua Xu, Genhao Tian, Jicong Fan, Xibei Yang, Qinghua Zhang, Yun Cui
Abstract: Graph Neural Networks (GNNs) have demonstrated impressive performance in learning representations from graph-structured data. However, their message-passing mechanism inherently relies on the assumption of label consistency among connected nodes, limiting their applicability to low-homophily settings. Moreover, since message passing operates as a hierarchical diffusion process, GNNs face challenges in capturing long-range dependencies. As network depth increases, the structural noise along heterophilic edges tends to be amplified, resulting in over-smoothing. This issue becomes especially prominent in highly heterophilic graphs, where the propagation of inconsistent semantics across the topology continually exacerbates misaggregation. To address this issue, we propose a novel framework named Layer Embedding Deep Fusion Graph Neural Network (LEDF-GNN). Specifically, we design a Layer Embedding Deep Fusion (LEDF) operator that nonlinearly fuses multi-layer embeddings to capture inter-layer dependencies and effectively alleviate deep propagation degradation. Meanwhile, to mitigate structural heterophily, LEDF-GNN employs a Dual-Topology Parallel Strategy (DTPS) that simultaneously leverages the original and reconstructed topologies, allowing for adaptive structure-semantics co-optimization under diverse homophily conditions. Extensive semi-supervised classification experiments on the citation and image benchmarks demonstrate that, under both homophilic and heterophilic settings, LEDF-GNN consistently outperforms state-of-the-art baselines, validating its effectiveness and generalization capability across diverse graph types.
Authors: Liaoyaqi Wang, Chunsheng Zuo, William Jurayj, Benjamin Van Durme, Anqi Liu
Abstract: Scaling test-time computation with reinforcement learning (RL) has emerged as a reliable path to improve large language models (LLM) reasoning ability. Yet, outcome-based reward often incentivizes models to be overconfident, leading to hallucinations, unreliable confidence-based control, and unnecessary compute allocation. We introduce Reinforcement Learning with Confidence Margin (\textbf{RLCM}), a calibration-aware RL framework that jointly optimizes correctness and confidence reliability via a margin-enhanced process reward over intermediate-budget completions. Rather than aligning confidence to correctness likelihoods, RLCM encourages to widen the confidence margin between correct and incorrect steps within a single reasoning trajectory. Across mathematical, code, logic and science benchmarks, our method substantially improves calibration while maintaining or improving accuracy. We further show that, with calibrated confidence signals, the resulting models enable more efficient conformal risk control and effective confidence-weighted aggregation.
Authors: Hongtao Hao, Joseph L. Austerweil
Abstract: Event-Based Models (EBMs) infer biomarker progression from cross-sectional data but typically only as ordinal sequences and rely on rigid model assumptions. We propose \textsc{Tempo}, a Transformer architecture that learns both ordinal and continuous event sequences through simulation-based supervised learning. \textsc{Tempo} uses two Transformer modules: one treats biomarkers as tokens to infer event sequencing; the other treats patients as tokens, representing each by their per-biomarker abnormality profile, to infer patients' disease stages. On synthetic benchmarks, \textsc{Tempo} reduces normalized Kendall's Tau distance by 52.89\% and staging MAE by 25.33\% compared to state-of-the-art SA-EBM, with larger reductions in high-dimensional settings (58.88\% and 61.10\%). Applied to ADNI, \textsc{Tempo} recovers a biologically plausible Alzheimer's progression: early medial temporal atrophy, followed by amyloid accumulation and cognitive decline, and late-stage tau pathology with terminal acceleration of global neurodegeneration -- broadly consistent with established disease models. \textsc{Tempo} also eliminates the need to derive custom inference algorithms and enables rapid empirical comparison of generative hypotheses.
Authors: Hanna R{\o}d, Dagny Streit, Nils Valseth Selte, Justin Li
Abstract: This paper investigates context stickiness in in-context learning (ICL), a phenomenon where earlier examples in a prompt interfere with a transformer's ability to adapt to later tasks. Using synthetic regression tasks over linear and quadratic functions, we examine how models trained under sequential, mixed, and random curricula handle abrupt task switches during inference. By sweeping over structured combinations of misleading linear examples followed by recovery quadratic examples, we quantify how prior context biases prediction error and how quickly models realign. Our results show strong evidence of persistent interference: more preceding linear examples reliably degrade quadratic predictions, while additional quadratic examples reduce error but with diminishing returns. We further find that training curricula significantly modulate resilience, with sequential training on the target function class yielding the fastest recovery, and surprisingly, random training producing the least robust behavior.
Authors: Bingda Tang, Yuhui Zhang, Xiaohan Wang, Jiayuan Mao, Ludwig Schmidt, Serena Yeung-Levy
Abstract: Aligning denoising generative models with human preferences or verifiable rewards remains a key challenge. While policy-gradient online reinforcement learning (RL) offers a principled post-training framework, its direct application is hindered by the intractable likelihoods of these models. Prior work therefore either optimizes an induced Markov decision process (MDP) over sampling trajectories, which is stable but inefficient, or uses likelihood surrogates based on the diffusion evidence lower bound (ELBO), which have so far underperformed on visual generation. Our key insight is that the ELBO-based approach can, in fact, be made both stable and efficient. By reducing surrogate variance and controlling gradient steps, we show that this approach can beat MDP-based methods. To this end, we introduce Variational GRPO (V-GRPO), a method that integrates ELBO-based surrogates with the Group Relative Policy Optimization (GRPO) algorithm, alongside a set of simple yet essential techniques. Our method is easy to implement, aligns with pretraining objectives, and avoids the limitations of MDP-based methods. V-GRPO achieves state-of-the-art performance in text-to-image synthesis, while delivering a $2\times$ speedup over MixGRPO and a $3\times$ speedup over DiffusionNFT.
Authors: Duc N. Do, Minh N. Do, Dang Nguyen, Khanh T. Q. Le, Khoa D. Pham, Hung N. Huynh, Phi Pham-Van-Hoang, Quan K. Huynh, Ramez M. Odat, Perisa Ashar, Ethan Philip Lowder, Minh H. N. Le, Hoang Le, Phat V. H. Nguyen, Quan Le, Jacques Kpodonu, Phat K. Huynh
Abstract: Transthoracic echocardiography is the reference standard for confirming structural heart disease (SHD), but first-line screening is limited by cost, workflow burden, and specialist availability. We evaluated whether open pretrained electrocardiogram (ECG) foundation models can support echo-confirmed multi-label SHD detection using the public EchoNext Mini-Model benchmark. Six echocardiography-derived abnormalities were targeted: reduced left ventricular ejection fraction, increased left ventricular wall thickness, aortic stenosis, mitral regurgitation, tricuspid regurgitation, and right ventricular systolic dysfunction. Under a common pipeline, we compared engineered ECG features with gradient boosting, end-to-end waveform learning from scratch, and transfer from open ECG foundation models. We then applied in-domain self-supervised adaptation of an ECG foundation model (ECG-FM) on EchoNext waveforms followed by selective supervised fine-tuning, and evaluated trade-offs between discrimination and adaptation cost. Adapted ECG-FM models achieved the best overall performance: peak macro-AUROC 0.8509 and macro-AUPRC 0.4297, while a parameter-efficient operating point preserved AUROC (0.8501) and attained the highest fixed-threshold macro-F1 0.3691. Late fusion with covariates did not improve threshold-independent discrimination, and evaluated LoRA, alternative backbones, and mixture-of-foundations strategies did not surpass the best adapted single-backbone models. These results indicate that for ECG-based case finding and echocardiography triage, combining target-domain self-supervised adaptation with selective supervised updating of a pretrained ECG backbone is the most effective transfer strategy.
Authors: Tomer Zilca, Gal Mendelson
Abstract: Uniform random rotations are a useful primitive in applications such as fast Johnson-Lindenstrauss embeddings, kernel approximation, communication-efficient learning, and recent AI compression pipelines, but they are computationally expensive to generate and apply in high dimensions. A common practical replacement is repeated structured random rotations built from Walsh-Hadamard transforms and random sign diagonals. Applying the structured random rotation twice has been shown empirically to be useful, but the supporting theory is still limited. In this paper we study the approximation quality achieved when using this two-block structured Hadamard rotation. Our results are both positive and negative. On the positive side, we prove that every fixed coordinate of the two-block transform converges uniformly, over all inputs, to the corresponding coordinate of a uniformly rotated vector, with an explicit Kolmogorov-distance bound of order $d^{-1/5}$. On the negative side, we prove an explicit lower bound on the Wasserstein distance between the full vector distributions, showing that the two-block transform is not a globally accurate surrogate for a uniform random rotation in the worst case. For the extremal input used in the lower bound, we also prove a matching asymptotic upper bound, showing that the lower-bound scale is sharp for that input. Taken together, the results identify a clear separation between one-dimensional marginal behavior, where approximation improves with dimension, and full high-dimensional geometry, where a nonvanishing discrepancy remains. This provides a partial theoretical explanation for the empirical success of structured Hadamard rotations in some algorithms, while also clarifying the limitations of treating them as drop-in replacements for true uniform random rotations.
Authors: Dikran Hovagimian
Abstract: Evolve pairs a small local language model with a persistent, teacher-compiled knowledge store -- refined through sleep consolidation and usage-driven refresh -- to deliver substantial accuracy gains over the model's parametric baseline while amortizing teacher costs through cross-query knowledge reuse. Rather than retrieving document fragments at query time, Evolve constructs a store of semantically coherent sections compiled by teacher models at natural conceptual boundaries; new sections are staged on acquisition, consolidated offline through teacher-mediated merging, and refreshed inline when expired. A 2B-parameter local model handles classification and generation; large teacher models are invoked only for knowledge operations. Across 750 benchmark queries spanning custom specialist questions, NaturalQuestions, and TriviaQA, the 2B model augmented by Evolve improves from 20-33% baseline accuracy to 60-84% (+40-52pp) while reducing teacher invocations by over 50% through reuse. Post-consolidation compresses the knowledge store by 31-33.5% across three independent benchmarks while preserving accuracy; section-based retrieval outperforms chunk-based retrieval by 5-9pp across every lifecycle condition. The architecture supports two generation modes over the same lifecycle -- suppress (strict section-only grounding, auditable) and augment (section-supplemented responses).
Authors: Lucky Verma
Abstract: Dynamic Tanh (DyT) removes LayerNorm by bounding activations with a learned tanh(alpha x). We show that this bounding is a regime-dependent implicit regularizer, not a uniformly beneficial replacement. Across GPT-2-family models spanning 64M to 3.78B parameters and 1M to 118M tokens, with Llama and ViT cross-checks, DyT improves validation loss by 27.3% at 64M/1M but worsens it by 18.8% at 64M/118M; the 1M benefit vanishes with capacity (+1.7% at 3.78B), while the 118M penalty reaches +27.9%. The mechanism is measurable: 49% of DyT activations saturate at 1M versus 23% at 118M, and a 500-step saturation heuristic classifies DyT's sign with 75% raw in-sample accuracy on the 12-cell GPT-2 calibration set (AUC 0.75; 64% when adding Scale 5 stress cells), correctly labels 3/3 Llama checks, but only reaches 50% raw leave-one-scale-out accuracy. Three interventions support the bounding explanation: HardTanh reproduces the regime pattern, increasing alpha at 118M monotonically reduces DyT's penalty, and vanilla+dropout(p=0.5) matches DyT's data-rich loss. We also localize Llama-DyT collapse to SwiGLU gating, where saturation separates collapse from convergence in a 3-seed component ablation (r=0.94). Scope: all experiments are compute-limited (T/P < 1.84), below Chinchilla-optimal training.
Authors: Dan Liu, Fida K. Dankar, Jennifer C. deBruyn, Amanda Ricciuto, Anne M. Griffiths, Thomas D. Walters, Khaled EI Emam
Abstract: Single-arm trials accelerate study timelines by reducing the number of patients that must be recruited for a concurrent control group. However, these designs require an alternative comparator to estimate treatment effects. One approach is to construct a virtual control arm using a machine learning (ML) model trained on external control data to predict the counterfactual outcomes of the treatment arm. Our aim in this study was to leverage virtual controls by developing and evaluating ML-based counterfactual outcome models trained on IFX-treated patients to predict 1-year steroid-free clinical remission (SFCR ) and a composite of C-reactive protein remission plus steroid-free clinical remission (CRP-SFCR) for ADA-treated pediatric Crohn's disease patients, and to compare the resulting IFX-versus-ADA treatment effect estimates with those obtained using propensity score matching to external controls. Five ML models were used to train counterfactual models on the observed IFX cohort data. The resulting models were used to predict the counterfactual outcomes for the ADA arm patients. LGBM yields the best OR closest to the propensity score matched reference, and all 95% CI results align with the conclusion from the reference study that no statistical difference in the primary and secondary outcomes has been observed between the patients treated with ADA or IFX. Our study supports virtual controls as a viable and effective substitute for expensive, lengthy or unethical patient recruitment in an inflammatory bowel disease (IBD) trial. The developed gradient boosted prediction model can be used as a pretrained model to generate IFX counterfactual predictions in future studies, pending external validation and assessment of transportability.
Authors: Divakar Kumar Yadav, Tian Zhao, Deepak Kumar
Abstract: NVIDIA's CUDA Tile (CuTile) introduces a Python-based, tile-centric abstraction for GPU kernel development that aims to simplify programming while retaining Tensor Core and Tensor Memory Accelerator (TMA) efficiency on modern GPUs. We present the first independent, cross-architecture evaluation of CuTile against established approaches such as cuBLAS, Triton, WMMA, and raw SIMT on three NVIDIA GPUs spanning Hopper and Blackwell: H100 NVL, B200, and RTX PRO 6000 Blackwell Server Edition. We benchmark representative AI workloads, including GEMM, fused multi-head attention, and end-to-end LLM inference in BF16/FP16 precision, to assess both performance and portability. Our results show that CuTile effectiveness is strongly workload- and architecture-dependent. On datacenter-class Blackwell (B200), CuTile achieves up to 1007 TFLOP/s for fused attention, outperforming FlashAttention-2 by 2.5x while requiring only 60 lines of Python kernel code. For GEMM, CuTile reaches 52-79% of cuBLAS performance in 22 lines of code (versus 123 for WMMA), making it a practical replacement for hand-written CUDA kernels but not yet for vendor-optimized libraries. However, the same CuTile attention kernel achieves only 53% of FlashAttention-2 throughput on RTX PRO 6000 (sm_120), exposing significant cross-architecture optimization gaps. In contrast, Triton sustains 62-101% of cuBLAS performance across all tested platforms without architecture-specific tuning, demonstrating substantially stronger portability.
Authors: Divakar Kumar Yadav, Tian Zhao
Abstract: Large Language Models (LLMs) have achieved strong performance across natural language and multimodal tasks, yet their practical deployment remains constrained by inference latency and kernel launch overhead, particularly in interactive, short-sequence settings. This paper presents a hybrid runtime framework that combines Just-In-Time (JIT) compilation with CUDA Graph execution to reduce launch overhead while preserving runtime flexibility during autoregressive decoding. The framework partitions transformer inference into static components executed via CUDA Graph replay and dynamic components handled through JIT-compiled kernels, enabling asynchronous graph capture and reuse across decoding steps. We evaluate the proposed approach on LLaMA-2 7B using single-GPU, batch-size-one inference across prompt lengths from 10 to 500 tokens. Experimental results show that the hybrid runtime reduces Time-to-First-Token (TTFT) by up to 66.0% and achieves lower P99 latency compared with TensorRT-LLM in this regime. These results indicate that hybrid JIT-CUDA Graph execution can effectively reduce inference latency and variance for short-sequence LLM workloads, making it a practical optimization strategy for latency-sensitive AI applications.
Authors: Regina Zhang, Zongru Li, Honggang Wen, Xiaofeng Liu, Siu-Ming Yiu, Pietro Li\`o, Kwok-Yan Lam
Abstract: Forecasting systems in science must be accurate, physically consistent, and certifiably reliable. Most existing models address prediction, constraint enforcement, and verification separately, limiting scalability and interpretability. We introduce GeoCert, a geometric AI framework that unifies forecasting, physical reasoning, and formal verification within a single differentiable computation. GeoCert formulates forecasting as evolution along a hyperbolic manifold, where negative curvature induces contraction dynamics, intrinsic robustness, and logarithmic-time certification. A hierarchical constraint architecture separates universal physical laws from domain-specific dynamics, enabling certified generalization across energy, climate, finance, and transportation systems. GeoCert achieves state-of-the-art accuracy while reducing computational cost by 97.5% and maintaining better certification rates. By embedding verification into the geometry of learning, GeoCert transforms forecasting from empirical approximation to formally verified inference, offering a scalable foundation for trustworthy, reproducible, and physically grounded scientific AI.
Authors: Audrey Cherilyn, Houman Safaai
Abstract: We study the organization of channel-level importance in transformer feed-forward networks (FFNs). Using a Fisher-style loss proxy (LP) based on activation-gradient second moments, we show that loss sensitivity is concentrated in a small set of channels within each layer. In Llama-3.1-8B, the top 1% of channels per layer accounts for a median of 58.7% of LP mass, with a range of 33.0% to 86.1%. We call these loss-critical channels supernodes. Although FFN layers also contain strong activation outliers, LP-defined supernodes overlap only weakly with activation-defined outliers and are not explained by activation power or weight norms alone. Around this core, we find a weaker but consistent halo structure: some non-supernode channels share the supernodes' write support and show stronger redundancy with the protected core. We use one-shot structured FFN pruning as a diagnostic test of this organization. At 50% FFN sparsity, baselines that prune many supernodes degrade sharply, whereas our SCAR variants explicitly protect the supernode core; the strongest variant, SCAR-Prot, reaches perplexity 54.8 compared with 989.2 for Wanda-channel. The LP-concentration pattern appears across Mistral-7B, Llama-2-7B, and Qwen2-7B, remains visible in targeted Llama-3.1-70B experiments, and increases during OLMo-2-7B pretraining. These results suggest that LLM FFNs develop a small learned core of loss-critical channels, and that preserving this core is important for reliable structured pruning.
Authors: Lichen Li, Hengguang Zhou, Yijun Liang, Tianyi Zhou, Cho-Jui Hsieh
Abstract: Reward hacking in code generation, where models exploit evaluation loopholes to obtain full reward without correctly solving the tasks, poses a critical challenge for Reinforcement Learning (RL) and the deployment of reasoning models. Existing studies have been conducted primarily on synthetic hacking trajectories. However, whether these synthetic behaviors faithfully represent naturally emerging hacking in the wild remains unclear. In this work, we present a systematic analysis of the synthetic vs. in-the-wild discrepancy in reward hacking. We examine to what extent hacking behaviors induced by prompting resemble those emerging during RL training, and whether monitors trained on synthetic trajectories generalize to naturally arising but previously unseen hacking. To scale up the curation of in-the-wild reward hacking trajectories, we modified Group Relative Policy Optimization (GRPO) by injecting conflicting unit tests as tracers and applying a "resampling-until-hack" mechanism. Through controlled comparisons between monitors trained on synthetic versus in-the-wild data, we find that (1) synthetic-data-trained monitors fail to generalize to "in-the-wild" hacking, and (2) monitors trained on our "in-the-wild" trajectories demonstrate stronger generalizability to unseen hacking types. Our results indicate that synthetic reward hacking data may not fully reflect natural reward hacking behaviors, and that relying solely on synthetic data can lead to misleading conclusions. The codebase is available at https://github.com/LichenLillc/CoTMonitoring.git
Authors: Md Abubakkar, Sajib Debnath, Md. Uzzal Mia
Abstract: Accurate short-term electricity load forecasting is a cornerstone of U.S. grid reliability; however, prevailing deep learning models remain opaque, limiting operator trust during extreme weather. A unified, interpretable, physics-informed ensemble framework is proposed, integrating a Convolutional Neural Network (CNN) branch for local feature extraction and a Transformer branch for long-range dependency modeling; the branches are fused through a validation-optimized weighted ensemble and regularized by a physics-informed loss derived from the piecewise parabolic temperature-demand relationship of the Electric Reliability Council of Texas (ERCOT) system. Post-hoc interpretability is provided through SHapley Additive exPlanations (SHAP) with the DeepExplainer backend, yielding global and event-level attributions. Using eight years of ERCOT hourly load data (2018-2025) fused with Automated Surface Observing System (ASOS) records from three Texas stations, the framework achieves 713 MW MAE, 812 MW RMSE, and 1.18% MAPE on the test window. For Hampel-flagged extreme events, MAPE falls by 20.7% relative to its Transformer branch and by 40.5% relative to its CNN branch; an ablation confirms that the parabolic and ramp constraints drive a 14.7% RMSE reduction. SHAP analysis reveals a regime shift: temperature dominates under normal operation, whereas wind speed and precipitation become more influential during cold fronts and heatwaves.
Authors: Chen Zeng, Jiahui Wang, Qiao Wang
Abstract: Existing theory suggests that Kolmogorov-Arnold Networks (KANs) can overcome the spectral bias commonly observed in neural networks under the assumption that inputs are statistically independent. However, this assumption does not hold in time series forecasting (TSF), where inputs are lagged observations with strong temporal autocorrelation. Through theoretical analysis and empirical validation, we obtain an unexpected finding: temporal autocorrelation reintroduces spectral bias in KANs, and the bias becomes increasingly pronounced as the degree of autocorrelation increases. This suggests that standard KANs may face substantial difficulties in TSF with strongly autocorrelated inputs. To address this problem, we introduce the Discrete Cosine Transform (DCT) to reduce the correlations among the network inputs. As expected, experimental results reveal that DCT preprocessing substantially reduces the observed low-frequency preference in TSF. This result also corroborates that the spectral bias of KANs in TSF tasks is indeed induced by the autocorrelation among input variables.
Authors: Sifan Wang, Shawn Koohy, Yiping Lu, Paris Perdikaris
Abstract: Physics-informed neural networks (PINNs) provide a promising machine learning framework for solving partial differential equations, but their training often breaks down on challenging problems, sometimes converging to physically incorrect solutions despite achieving small residual losses. This failure, we argue, is not merely an optimization difficulty. Rather, it reflects a fundamental weakness of the empirical PDE residual loss, which can admit trivial or spurious solutions during training. From this perspective, we revisit pseudo-time stepping, a technique that has recently shown strong empirical success in PINNs. We show that its main benefit is not simply to ease optimization; instead, when combined with collocation-point resampling, it helps reveal and avoid spurious solutions. At the same time, we find that the effectiveness of pseudo-time stepping depends critically on the choice of step size, which cannot be tuned reliably from the training loss alone. To overcome this limitation, we propose an adaptive pseudo-time stepping strategy that selects the step size from a finite-difference surrogate of the local residual Jacobian, yielding the largest step permitted by local stability without per-problem tuning. Across a diverse set of PDE benchmarks, the proposed method consistently improves both accuracy and robustness. Together, these findings provide a clearer understanding of why PINNs fail and suggest a practical pathway toward more reliable physics-informed learning. All code and data accompanying this manuscript are available at https://github.com/sifanexisted/jaxpi2.
Authors: Bingqing Jiang, Difan Zou
Abstract: Diffusion models are central to modern generative modeling, and understanding how they balance memorization and generalization is critical for reliable deployment. Recent work has shown that memorization in diffusion models is shaped by training dynamics, with generalization and memorization emerging at different stages of training. However, deployed diffusion models are often further distilled, introducing an additional training phase whose impact on memorization is not well understood. In this work, we analyze how distillation reshapes memorization behavior in diffusion models, taking consistency distillation as a representative framework. Empirically, we show that when applied to a teacher model that has memorized data, consistency distillation significantly reduces transferred memorization in the student while preserving, and sometimes improving, sample quality. To explain this behavior, we provide a theoretical analysis using a random feature neural network model [Bonnaire et al., 2025], showing that consistency distillation suppresses unstable feature directions associated with memorization while preserving stable, generalizable modes. Our findings suggest that distillation can serve not only as an acceleration tool, but also as a mechanism for improving the memorization-generalization trade-off.
Authors: Rahul Narava, Siddharth Verma, Ojas Jain, Shashi Shekhar Jha, Mayank Shekhar Jha
Abstract: Ensuring safe exploration in high-dimensional systems with unknown dynamics remains a significant challenge. Existing safe reinforcement learning methods often provide safety guarantees only in expectation, which can still lead to safety violations. Control-theoretic approaches, in contrast, offer hard constraint-based safety guarantees but typically assume access to known system dynamics or require accurate estimation of control-affine models. In this paper, we propose a safe reinforcement learning framework that learns a probabilistic control-affine dynamics model in an offline setting. The learned model is leveraged to explicitly construct control barrier functions (CBFs) that incorporate model uncertainty to provide conservative safety constraints. These CBF constraints are enforced through an online constraint-based action correction mechanism, enabling safe exploration without overly restricting task performance. Empirical evaluations on nonlinear, complex continuous-control benchmarks demonstrate that our approach achieves returns comparable to those of existing baselines while significantly reducing safety violations.
Authors: Ru Geng, Panayotis Kevrekidis, Yixian Gao, Hong-Kun Zhang, Jian Zu
Abstract: Lattice Hamiltonian systems underpin models across condensed matter, nonlinear optics, and biophysics, yet learning their dynamics from data is obstructed by two unknowns: the interaction topology and whether node dynamics are homogeneous. Existing graph-based approaches either assume the graph is given or, as in $\alpha$-separable graph Hamiltonian network, infer it only for separable Hamiltonians with homogeneous node dynamics. We introduce the Hamiltonian Graph Inference Network (HGIN), which jointly recovers the interaction graph and predicts long-time trajectories from state data alone, for both separable and non-separable Hamiltonians and under heterogeneous node dynamics. HGIN couples a structure-learning module -- a learnable weighted adjacency matrix trained under a Hamilton's-equations loss -- with a trajectory-prediction module that partitions edges into physically distinct subgraphs via $k$-means clustering, assigning each subgraph its own encoder and thereby breaking the parameter-sharing bottleneck of conventional GNNs. On three benchmarks -- a Klein--Gordon lattice with long-range interactions and two discrete nonlinear Schr\"odinger lattices (homogeneous and heterogeneous) -- HGIN reduces long-time energy prediction error and trajectory prediction error by six to thirteen orders of magnitude relative to baselines. A symmetry argument on the Hamiltonian loss further shows that the learned weights encode the parity of the underlying pair potential, yielding an interpretable readout of the system's interaction structure.
Authors: Giansalvo Cirrincione
Abstract: A widely cited result by Dong et al. (2021) showed that Transformers built from self-attention alone, without skip connections or feed-forward layers, suffer from rapid rank collapse: all token representations converge to a single direction. The proposed remedy was the MLP. We show that this picture, while correct in the regime studied by Dong, is incomplete in ways that matter for architectural understanding. Three results are established. First, layer normalisation is precisely affine-rank-neutral: it preserves the affine rank of the token representation set exactly. The widespread claim that LN "plays no role" is imprecise; the correct statement is sharper. Second, residual connections generically obstruct rank collapse in real Transformers such as BERT-base, in a measure-theoretic sense, without contribution from the MLP. The MLP's irreplaceable function is different: generating feature directions outside the linear span of the original token embeddings, which no stack of attention layers can produce. Third, a phenomenon distinct from rank collapse is identified: head-channel non-identifiability. After multi-head attention sums per-head outputs through the output projection, individual contributions cannot be canonically attributed to a specific head; n(H-1)d_k degrees of freedom per layer remain ambiguous when recovering a single head from the mixed signal. The MLP cannot remedy this because it acts on the post-summation signal. A constructive partial remedy is proposed: a position-gated output projection (PG-OP) at parameter overhead below 1.6% of the standard output projection. The four collapse phenomena identified in the literature -- rank collapse in depth, in width, head-channel non-identifiability, and entropy collapse -- are unified under a symmetry-breaking framework, each corresponding to a distinct symmetry of the Transformer's forward pass.
Authors: Antonij Mijoski, Marko Karbevski
Abstract: We study when a skip connection around a single-hidden-layer MLP can be absorbed into a residual-free MLP of the same width. We first show that for any architecture whose skip branch is an invertible linear map (including Hyper-Connections and their manifold-constrained variants), the problem reduces to the identity skip case. For homogeneous activations of degree $k \neq 1$, such as ReLU$^2$ and ReGLU, absorption is unconditionally impossible by a degree argument. For gated activations whose gate is differentiable at the origin with $g(0) = 0$, including SwiGLU and GeGLU, a linearization argument gives the same conclusion. These impossibility results extend to arbitrary depth: a composition of $L$ residual blocks using such activations cannot be replicated by any composition of $L$ residual-free blocks of the same width. For ungated ReLU and GELU, the situation is richer. For generic weight matrices, absorption holds at the single-block level if and only if there exists an index set $S$ of size at least $d$ such that $W_{\mathrm{down}}[:,S]\,W_{\mathrm{up}}[S,:] = -I_d$. This condition is non-generic (it fails with probability one under continuous weight distributions), so skip-connected and residual-free MLPs of the same width represent generically disjoint function classes. Whether this disjointness persists for deep compositions of ReLU or GELU blocks remains open.
Authors: Chenyi Li, Yanchen Nie, Zhenyu Ming, Gong Zhang, Kun Yuan, Zaiwen Wen
Abstract: Recent advances in formal theorem proving have focused on Olympiad-level mathematics, leaving undergraduate domains largely unexplored. Optimization, fundamental to machine learning, operations research, and scientific computing, remains underserved by existing provers. Its reliance on domain-specific formalisms (convexity, optimality conditions, and algorithmic analysis) creates significant distribution shift, making naive domain transfer ineffective. We present OptProver, a trained model that achieves robust transfer from Olympiad to undergraduate optimization. Starting from a strong Olympiad-level prover, our pipeline mitigates distribution shift through two key innovations. First, we employ large-scale optimization-focused data curation via expert iteration. Second, we introduce a specialized preference learning objective that integrates perplexity-weighted optimization with a mechanism to penalize valid but non-progressing proof steps. This not only addresses distribution shifts but also guides the search toward efficient trajectories. To enable rigorous evaluation, we construct a novel benchmark in Lean 4 focused on optimization. On this benchmark, OptProver achieves state-of-the-art Pass@1 and Pass@32 among comparably sized models while maintaining competitive performance on general theorem-proving tasks, demonstrating effective domain transfer without catastrophic forgetting.
Authors: Viet-Hoang Tran, An Nguyen, Beno\^it Gu\'erand, Thieu N. Vo, Tan M. Nguyen
Abstract: Metanetworks are neural architectures designed to operate directly on pretrained weights to perform downstream tasks. However, the parameter space serves only as a proxy for the underlying function class, and the parameter-function mapping is inherently non-injective: distinct parameter configurations may yield identical input-output behaviors. As a result, metanetworks that rely solely on raw parameters risk overlooking the intrinsic symmetries of the architecture. Reasoning about functional identity is therefore essential for effective metanetwork design, motivating the development of equivariant metanetworks, which incorporate equivariance principles to respect architectural symmetries. Existing approaches, however, typically enforce strict equivariance, which imposes rigid constraints and often leads to sparse and less expressive models. To address this limitation, we introduce the novel concept of quasi-equivariance, which allows metanetworks to move beyond the rigidity of strict equivariance while still preserving functional identity. We lay down a principled basis for this framework and demonstrate its broad applicability across diverse neural architectures, including feedforward, convolutional, and transformer networks. Through empirical evaluation, we show that quasi-equivariant metanetworks achieve good trade-offs between symmetry preservation and representational expressivity. These findings advance the theoretical understanding of weight-space learning and provide a principled foundation for the design of more expressive and functionally robust metanetworks.
Authors: Beyza Cinar, Maria Maleshkova
Abstract: Disease progression varies with age and is influenced by underlying genetic, biochemical, and hormonal etiologies, suggesting the need for tailored monitoring, care, and medication beyond standard clinical guidelines. Specifically, in autoimmune diseases like type 1 diabetes (T1D), where patients depend on exogenous insulin to compensate for insulin deficiency, medication dosing and the physiological response reflected in vital signs can differ. Insulin therapy can lead to hypoglycemia, a dangerous condition characterized by decreased blood glucose levels ($\leq$70). This risk can be mitigated through improved diabetes management supported by data analytics. Notably, leveraging data from continuous glucose monitoring (CGM) devices, hypoglycemia onset can be predicted. However, while glucose variability, auto-antibody levels, and hypoglycemia occurrence differ across age groups, hypoglycemia classification most often only relies on population-based models specialized in specific age ranges. In this work, we classify hypoglycemia 0, 5-15, 20-45, and 50-120 minutes before onset using DiaData, a large CGM dataset of patients with T1D ranging from children to seniors. In particular, we investigate: 1) the generalizability of a population-based model including all age groups, 2) the impact of age-segmented models trained separately per age group, and 3) the effect of model individualization through transfer learning. The results show that a global population-based model yields similar or superior performance compared to age-segmented models. These findings suggest that data from children, teenagers, and adults can be combined for training models on hypoglycemia classification. While glucose variation differs across age groups, short-term hypoglycemic patterns are similar. However, data of children obtain their best recall with age specialized model.
Authors: Huadong Liao
Abstract: Despite the Transformer's dominance across machine learning, its architecture remains largely heuristic and lacks a unified theoretical foundation. We introduce Score-based Variational Flow (SVFlow), a continuous-time dynamical system for representation learning in which the state evolves according to a variational posterior-weighted average of conditional log-likelihood scores, and provide a principled basis for regularization through variational consistency. We show that forward Euler discretization of spherical SVFlow exactly recovers the Transformer architecture. Multi-head attention approximates SVFlow vector field via a vMF kernel-smoothed posterior, while MoE/FFN approximates it in a relaxed network-based way, and the residual-normalization block implements a relaxed retraction that maintains spherical geometry. This unification explains why attention trains stably without explicit regularization while MoE requires auxiliary balancing losses. Experiments on pre-trained language models with prefix shuffling show that SVFlow-induced metrics correlate with task performance, reveal depth-dependent sensitivity, and reflect the intrinsic dynamics of attention.
Authors: Alexis Limozin, Eduard Durech, Torsten Hoefler, Imanol Schlag, Valentina Pyatkin
Abstract: Recent mixed-policy optimization methods for LLM reasoning that interleave or blend supervised and reinforcement learning signals report improvements over the standard SFT-then-RL pipeline. We show that numerous recently published research papers rely on a faulty baseline caused by two distinct bugs: a CPU-offloaded optimizer bug in DeepSpeed that silently drops intermediate micro-batches during gradient accumulation (affecting multiple downstream frameworks including TRL, OpenRLHF and Llama-Factory), and a loss aggregation bug in OpenRLHF that incorrectly weights per-mini-batch losses. Together they suppress SFT performance, with the optimizer bug accounting for most of the gap and the loss aggregation bug contributing a smaller additional effect. Once corrected, the standard SFT-then-RL pipeline surpasses every published mixed-policy method we evaluate by +3.8 points on math benchmarks with Qwen2.5-Math-7B and by +22.2 points with Llama-3.1-8B. Even a truncated variant with just 50 RL steps outperforms mixed-policy methods on math benchmarks while using fewer FLOPs.
Authors: Shuaizhi Cheng, Xiang Shi, Mingwei Li
Abstract: Hypernetwork-based methods such as Doc-to-LoRA internalize a document into an LLM's weights in a single forward pass, but they fail systematically on conflicts: when the document contradicts pretraining knowledge, accuracy collapses to 46.4% on the deepest facts. We show the failure is a magnitude problem rather than a representational one. The hypernetwork already targets the right layers, but its adapter margin is approximately constant across documents while the pretrained margin grows with training frequency, so deep conflicts lose by construction. The account predicts that failure should track prior strength: sorting 194 conflicts by the base model's log-probability on the contradicted fact, baseline accuracy falls from 68% on weak-prior questions to 16% on strong-prior ones, a 52 percentage-point gap. The cure is amplitude. Selective Layer Boosting scales the adapter at its top-norm layers, and Conflict-Aware Internalization triggers boosting only when the base model is confident. Both are training-free; together they raise deep-conflict accuracy from 46.4% to 71.0% on Gemma-2B and from 53.6% to 72.5% on Mistral-7B while preserving novel-knowledge recall, and beat vanilla retrieval-augmented generation on medium conflicts by 18 percentage points despite operating entirely in parameter space. We release KID-Bench, a 489-question benchmark that separates novel recall, cross-knowledge combination, and prior-graded conflicts.
Authors: Mingze Li, Yu Rong, Songyou Li, Lihong Wang, Jiacheng Cen, Liming Wu, Anyi Li, Zongzhao Li, Qiuliang Liu, Rui Jiao, Tian Bian, Pengju Wang, Hao Sun, Jianfeng Zhang, Ji-Rong Wen, Deli Zhao, Shifeng Jin, Tingyang Xu, Wenbing Huang
Abstract: The discovery of novel materials is critical for global energy and quantum technology transitions. While deep learning has fundamentally reshaped this landscape, existing predictive or generative models typically operate in isolation, lacking the autonomous orchestration required to execute the full discovery process. Here we present ElementsClaw, an agentic framework for materials discovery that synergizes Large Atomic Models (LAMs) with Large Language Models (LLMs). In response to varied human requirements, ElementsClaw dynamically orchestrates a suite of LAM tools finetuned from our proposed model Elements for atomic-scale numerical computation, while leveraging LLMs for high-level semantic reasoning. This shift moves AI-driven materials science from isolated processes toward integrated and human interactive discovery. In the demanding domain of superconductors, our agentic system guides the experimental synthesis of four new superconductors, including Zr3ScRe8 with a transition temperature of 6.8 K and HfZrRe4 at 6.7 K. At scale, ElementsClaw screens more than 2.4 million stable crystals within only 28 GPU hours, identifying 68,000 high-confidence superconducting candidates and vastly expanding the known superconducting space. These results demonstrate how our agent accelerates materials discovery with high physical fidelity.
Authors: Vugar Ismailov
Abstract: We analyze the universal approximation property of Kolmogorov-Arnold Networks (KANs) in terms of their edge functions. If these functions are all affine, then universality clearly fails. How many non-affine functions are needed, in addition to affine ones, to ensure universality? We show that a single one suffices. More precisely, we prove that deep KANs in which all edge functions are either affine or equal to a fixed continuous function $\sigma$ are dense in $C(K)$ for every compact set $K\subset\mathbb{R}^n$ if and only if $\sigma$ is non-affine. In contrast, for KANs with exactly two hidden layers, universality holds if and only if $\sigma$ is nonpolynomial. We further show that the full class of affine functions is not required; it can be replaced by a finite set without affecting universality. In particular, in the nonpolynomial case, a fixed family of five affine functions suffices when the depth is arbitrary. More generally, for every continuous non-affine function $\sigma$, there exists a finite affine family $A_\sigma$ such that deep KANs with edge functions in $A_\sigma\cup\{\sigma\}$ remain universal. We also prove that KANs with the spline-based edge parameterization introduced by Liu et al.~\cite{Liu2024} are universal approximators in the classical sense, even when the spline degree and knot sequence are fixed in advance.
Authors: Carine de Menezes Rebello, Anderson Rapello dos Santos, Idelfonso B. R. Nogueira
Abstract: Deploying machine learning models across diverse well portfolios requires generalisation to wells with design parameters outside the training distribution. Current data-driven approaches to virtual flow metering (VFM) and bottomhole estimation typically treat each well independently or ignore the influence of well design on operational behaviour. We present WISE (Well Intelligence and Systems Engineering Foundation Model), a design-aware, physics-informed multi-task model that integrates three complementary mechanisms: Feature-wise Linear Modulation (FiLM) and cross-modal attention to condition operational embeddings on well design parameters; multi-task learning for simultaneous prediction of flow rates, bottomhole conditions, and flow regime classification; and structural mass conservation with soft physics constraints derived from well engineering principles. Evaluation on the ManyWells benchmark (2000 simulated wells, $10^6$ data points) demonstrates that design-aware models reduce VFM prediction error by up to $13\times$ compared to design-unaware baselines, and that physics constraints reduce negative flow predictions by 65%. Flow regime classification achieves 97.7% bottomhole accuracy, providing continuous well integrity monitoring without additional sensors. The methodology transfers to real operational data from five Equinor Volve producers (oil rate $R^2 = 0.89$, bottomhole pressure $R^2 = 0.98$, water rate $R^2 = 0.97$). The trained model additionally serves as a fast surrogate for integrity-aware well design optimisation over a 24-dimensional design space, with more than $1000\times$ speedup over drift-flux simulations. These results demonstrate that design awareness, physics enforcement, and multi-task learning are essential and complementary ingredients for foundation models intended to operate across large well portfolios.
Authors: Ignavier Ng, Yan Li, Zijian Li, Yujia Zheng, Guangyi Chen, Kun Zhang
Abstract: A central problem in unsupervised domain adaptation is determining what to transfer from labeled source domains to an unlabeled target domain. To handle high-dimensional observations (e.g., images), a line of approaches use deep learning to learn latent representations of the observations, which facilitate knowledge transfer in the latent space. However, existing approaches often rely on restrictive assumptions to establish identifiability of the joint distribution in the target domain, such as independent latent variables or invariant label distributions, limiting their real-world applicability. In this work, we propose a general domain adaptation framework that learns compact latent representations to capture distribution shifts relative to the prediction task and address the fundamental question of what representations should be learned and transferred. Notably, we first demonstrate that learning representations based on all the predictive information, i.e., the label's Markov blanket in terms of the learned representations, is often underspecified in general settings. Instead, we show that, interestingly, general domain adaptation can be achieved by partitioning the representations of Markov blanket into those of the label's parents, children, and spouses. Moreover, its identifiability guarantee can be established. Building on these theoretical insights, we develop a practical, nonparametric approach for domain adaptation in a general setting, which can handle different types of distribution shifts.
Authors: Chih-Chung Hsu, Xin-Di Ma, Wo-Ting Liao, Chia-Ming Lee
Abstract: Existing attention accelerators often trade exact softmax semantics, depend on fused Tensor Core kernels, or incur sequential depth that limits FP32 throughput on long sequences. We present \textbf{ELSA}, an algorithmic reformulation of online softmax attention that (i)~preserves exact softmax semantics in real arithmetic with a \emph{provable} $\mathcal{O}(u\log n)$ FP32 relative error bound; (ii)~casts the online softmax update as a prefix scan over an associative monoid $(m,S,W)$, yielding $O(n)$ extra memory and $O(\log n)$ parallel depth; and (iii)~is Tensor-Core independent, implemented in Triton and CUDA C++, and deployable as a \emph{drop-in replacement} requiring no retraining or weight modification. Unlike FlashAttention-2/3, which rely on HMMA/GMMA Tensor Core instructions and provide no compatible FP32 path, ELSA operates identically on A100s and resource-constrained edge devices such as Jetson TX2 -- making it the only hardware-agnostic exact-attention kernel that reduces parallel depth to $O(\log n)$ at full precision. On A100 FP32 benchmarks (1K--16K tokens), ELSA delivers $1.3$--$3.5\times$ speedup over memory-efficient SDPA and $1.97$--$2.27\times$ on BERT; on Jetson TX2, ELSA achieves $1.5$--$1.6\times$ over Math (64--900 tokens), with $17.8$--$20.2\%$ throughput gains under LLaMA-13B offloading at $\ge$32K. In FP16, ELSA approaches hardware-fused baselines at long sequences while retaining full FP32 capability, offering a unified kernel for high-precision inference across platforms. Our code and implementation are available at https://github.com/ming053l/ELSA.
Authors: Ignavier Ng, Shaoan Xie, Xinshuai Dong, Peter Spirtes, Kun Zhang
Abstract: Causal representation learning aims to recover the latent causal variables and their causal relations, typically represented by directed acyclic graphs (DAGs), from low-level observations such as image pixels. A prevailing line of research exploits multiple environments, which assume how data distributions change, including single-node interventions, coupled interventions, or hard interventions, or parametric constraints on the mixing function or the latent causal model, such as linearity. Despite the novelty and elegance of the results, they are often violated in real problems. Accordingly, we formalize a set of desiderata for causal representation learning that applies to a broader class of environments, referred to as general environments. Interestingly, we show that one can fully recover the latent DAG and identify the latent variables up to minor indeterminacies under a nonparametric mixing function and nonlinear latent causal models, such as additive (Gaussian) noise models or heteroscedastic noise models, by properly leveraging sufficient change conditions on the causal mechanisms up to third-order derivatives. These represent, to our knowledge, the first results to fully recover the latent DAG from general environments under nonparametric mixing. Notably, our results match or improve upon many existing works, but require less restrictive assumptions about changing environments.
Authors: Maxim Beketov, Pavel Snopov
Abstract: We generalise the reparameterization trick applied in variational autoencoders (VAEs) letting these have latent spaces of non-trivial topology - i.e. that of base manifolds covered with other ones, on which some technique for RT is available. That is possible since covering maps are measurable - moreover, in case of particular measure preservation property holding for the covering, one can establish an inequality on KL-divergence between pushforward (PF) densities on the base latent manifold, making the KL-term of VAE's ELBO analytically tractable, despite the topological non-triviality of the supporting latent manifold. Our development follows a route close but somewhat alternative to reparameterization on Lie groups, the latest proposal for which is to reparameterize PFs of normal densities from the Lie algebra - "through" the exponential map, seen by us as sometimes a particular case of what we propose to call reparameterization through a covering. Covering maps need not be global diffeomorphisms (although Lie-exp maps, in general, need not either, but, to date only smooth ones were considered in this context, to the best of our knowledge), which makes many non-trivial topologies tamable to our proposed technique, that we detail on a particular such example. We demonstrate the working of our approach by constructing a VAE with the latent space of Klein bottle (not a Lie group) topology, which we call KleinVAE, successfully learning an appropriate artificial dataset. We discuss potential applicability of such topology-informed generative models as weight priors in Bayesian learning, particularly for convolutional vision models, where said manifold was peculiarly shown to have some relevance.
Authors: Aditi De
Abstract: The reverse process in score-based diffusion models is formally equivalent to overdamped Langevin dynamics in a time-dependent energy landscape. In our prior work we showed that a bilinearly-coupled analog substrate can physically realize this dynamics at a projected three-to-four orders of magnitude energy advantage over digital inference by replacing dense skip connections with low-rank inter-module couplings. Whether the \emph{training} loop can be closed on the same substrate -- without routing gradients through an external digital accelerator -- has remained open. We resolve this affirmatively: Equilibrium Propagation applied directly to the bilinear energy yields an unbiased estimator of the denoising score-matching gradient in the zero-nudge limit. For finite nudging we derive a sharp bias bound controlled solely by substrate stiffness, local curvature, and the norm of the loss-gradient signal, with a bilinear-specific corollary showing that one dominant bias term vanishes identically for coupling-parameter updates. Symmetric nudging further upgrades the leading bias from $ \mathcal{O}(\beta) $ to $ \mathcal{O}(\beta^2) $ at negligible extra cost. Under realistic finite-relaxation budgets this upgrade is essential, as one-sided EqProp produces anti-correlated gradients while symmetric EqProp yields well-aligned updates. Bias-variance analysis determines the optimal operating point, and end-to-end physical-unit accounting projects a $ 10^3$-$10^4\times $ energy advantage per training step over a matched GPU baseline. Symmetric bilinear EqProp is the first local, readout-only training rule that preserves the low-rank coupling enabling scalable thermodynamic diffusion models.
Authors: Zhengding Hu, Hehua Ouyang, Chang Chen, Zaifeng Pan, Yue Guan, Zhongkai Yu, Zhen Wang, Steven Swanson, Yufei Ding
Abstract: We present JigsawRL, a cost-efficient framework that explores Pipeline Multiplexing as a new dimension of RL parallelism. JigsawRL decomposes each pipeline into a Sub-Stage Graph that exposes the intra-stage and inter-worker imbalance hidden by stage-level systems. On this abstraction, JigsawRL resolves multiplexing interference through dynamic resource allocation, eliminates fragmented utilization by migrating long-tail rollouts across workers, and formulates their coordination as a graph scheduling problem solved with a look-ahead heuristic. On 4-64 H100/A100 GPUs across different agentic RL pipelines and models, JigsawRL achieves up to 1.85x throughput over Verl on synchronous RL, 1.54x over StreamRL and AReaL on asynchronous RL, and supports heterogeneous pipelines with moderate latency trade-off.
Authors: Jonathan Hoss, Moritz Link, Noah Klarmann
Abstract: Efficiently solving the Job Shop Scheduling Problem in real-world industrial applications requires policies that are both computationally lean and topologically robust. While Reinforcement Learning has shown potential in automating dispatching rules, existing models often struggle with a scalability bottleneck caused by quadratic graph complexity or the architectural overhead of heterogeneous layers. We introduce a unified graph framework that employs feature-based homogenization to project distinct node roles into a shared latent space. This allows a standard homogeneous Graph Isomorphism Network to capture complex resource contention with linear complexity, ensuring low-latency inference for large-scale industrial applications. Our empirical results demonstrate that our framework achieves state-of-the-art performance while exhibiting consistent zero-shot generalization. We identify the job-to-machine ratio as the primary driver of policy effectiveness, rather than absolute problem size. Based on this, we propose a hypothesis of structural saturation, demonstrating that policies trained on critically congested instances ($\mathcal{J} \approx \mathcal{M}$) learn scale-invariant resolution strategies. Agents trained at this saturation point internalize invariant conflict-resolution logic, allowing them to treat massive rectangular instances as a sequential concatenation of saturated sub-problems. This approach eliminates the need for expensive scale-specific retraining and prevents overfitting to statistical shortcuts, providing a robust and efficient pathway for deploying RL solutions in dynamic production environments.
Authors: Nicola Zanarini, Niccol\`o Ferrari
Abstract: We investigate whether the Feed-Forward Network (FFN) sublayer in a decoder-only transformer can be replaced by an explicit learned memory graph while preserving the surrounding autoregressive architecture. The proposed Graph Memory Transformer (GMT) keeps causal self-attention intact, but replaces the usual per-token FFN transformation with a memory cell that routes token representations over a learned bank of centroids connected by a learned directed transition matrix. In the base GMT v7 instantiation studied here, each of 16 transformer blocks contains 128 centroids, a 128 * 128 edge matrix, gravitational source routing, token-conditioned target selection, and a gated displacement readout. The cell therefore returns movement from an estimated source memory state toward a target memory state, rather than a retrieved value. The resulting model is a fully decoder-only language model with 82.2M trainable parameters and no dense FFN sublayers, compared with a 103.0M-parameter dense GPT-style baseline used in the evaluation. The base v7 model trains stably and exposes centroid usage, transition structure, and source-to-target movement as directly inspectable quantities of the forward computation. It remains behind the larger dense baseline in validation loss and perplexity (3.5995/36.58 vs. 3.2903/26.85), while showing close zero-shot benchmark behavior under the evaluated setting. These results are not intended as a state-of-the-art claim; they support the viability and structural interpretability of replacing dense within-token transformation with graph-mediated memory navigation. Broader scaling, optimized kernels, and more extensive benchmark evaluation are left for subsequent work.
Authors: Niels Bracher, Xavier Intes, Stefan T. Radev
Abstract: Foundation models of brain activity promise a new frontier for in silico neuroscience by emulating neural responses to complex stimuli across tasks and modalities. A natural next step is to ask whether these models can also be used in reverse. Can we recover a stimulus or its properties from synthetic brain activity? We study this question in a proof-of-concept setting using TRIBEv2. We pair the brain emulator with large language models (LLMs) that generate news headlines from linguistic parameters such as valence, arousal, and dominance. We then use simulation-based inference to learn a probabilistic mapping from brain maps to latent stimulus parameters. Our results show that these parameters can be recovered from predicted brain maps, validating the quality of neural encodings. They also show that LLMs can serve as controllable stimulus generators for simulated experiments. Together, these findings provide a step toward decoding and inverse design with foundation brain models.
Authors: Valerie Tsao, Nathaniel Chaney, Manolis Veveakis
Abstract: Scientific measurements are often bottlenecked by suboptimal conditions, whether that be noise, incomplete spatial coverage, or limited resolution, rendering accurate field reconstruction a difficult task. We introduce LatentPDE, a latent diffusion framework designed to simultaneously resolve sparse-observation reconstruction and super-resolution. While existing physics-guided diffusion models typically rely on soft loss penalties or uninterpretable representations, our approach enforces physical compliance by constructing an inherently interpretable latent space. Specifically, we parameterize the latent variables directly as the coefficients and source terms of an assumed governing PDE. In doing so, LatentPDE is able to reliably reconstruct dynamics across highly disparate and structured data gaps. Empirical results on diverse configurations demonstrate that our model achieves high-fidelity recovery at any desired resolution while also tracking the underlying predictive uncertainty.
Authors: Timothy Oladunni, Farouk Ganiyu Adewumi
Abstract: We present Cardiac Stability Theory (CST), an axiomatically grounded framework formally defining cardiovascular health as a stability margin around a cardiac dynamical attractor. From four axioms we derive the Cardiac Stability Index (CSI), a composite scalar in [0,1] integrating the largest Lyapunov exponent, recurrence determinism, and signal entropy via time-delay embedding. The ECG-based model (CSISurrogateV2, CNN-Transformer) achieves $R^2=0.8788$, MAE$=0.0234$ on PTB-XL (21,799 recordings). We extend CSI to smartphone PPG via Complementary Domain Transfer (CDT): CSISurrogateV2 generates pseudo-labels for the BUT PPG dataset (48 recordings, 12 subjects), training TinyCSINet (122,849 parameters), achieving MAE$=0.0557$, $\rho=0.660$ on the held-out test set ($n=1065$ windows) at ${<}30$ ms mobile latency. CDT is validated on BIDMC, Welltory, and RWS-PPG. Paired validation on 5,035 BIDMC windows yields $r=0.454$ ($\rho=0.485$, $p<10^{-295}$), confirming correlated cardiac stability across modalities. CSI is negatively correlated with age (slope $= -0.000225$ CSI/year, PTB-XL), discriminates atrial fibrillation from normal sinus rhythm (AUROC$=0.89$), and is robust under Perturbation Invariance Training (max AUC drop 1.65\%). We derive HeartSpan, a longitudinal stability metric relative to population age norms, enabling continuous non-invasive cardiac monitoring from commodity smartphones for longevity tracking and cardiac risk stratification.
Authors: Sinjini Mitra, Constantine Kyriakakis, Shenyuan Liang, Anuj Srivastava, Pavan Turaga
Abstract: Adaptation of blackbox generative models has been widely studied recently through the exploration of several methods including generator fine-tuning, latent space searches, leveraging singular value decomposition, and so on. However, adapting large-scale generative AI tools to specific use cases continues to be challenging, as many of these industry-grade models are not made widely available. The traditional approach of fine-tuning certain layers of a generative network is not feasible due to the expense of storing and fine-tuning generative models, as well as the restricted access to weights and gradients. Recognizing these challenges, we propose a novel end-to-end pipeline aimed at domain adaptation by leveraging geometry-preserving loss functions in conjunction to pre-trained generative adversarial networks (GANs). Our method rethinks the problem of adaptation by re-contextualizing the role of GAN inversion in obtaining accurate latent space representations. Extending the ability of existing state-of-the-art inverters, we preserve pair-wise distances between tangent spaces to successfully train a latent generative model to produce samples from the target distribution. We evaluate our proposed pipeline on StyleGANs with real distribution shifts and demonstrate that the introduction of the geometry preserving loss function lends to improved adaptation of generative models compared to other traditional loss functions.
Authors: Wei Lu, Jay Wang, Dingli Duan, Ding Mao, Caiyi Song, John Huang
Abstract: Short term electricity price forecast is essential in competitive power markets, yet electricity price series exhibit high volatility, irregularity, and non-stationarity. This phenomenon is pronounced in the South Australian region of the National Electricity Market, where high renewable penetration drives price volatility and frequent negative price intervals, while structural changes such as the transition to five-minute settlement further complicate forecast. To address these challenges, this study develops a unified benchmark framework. Under identical data preprocessing, feature engineering with lag features, rolling statistics, cyclic temporal encodings, and so on, and an 85% to 15% chronological train test split, six algorithms are systematically compared, including AWMLSTM, CatBoost, GBRT, LSTM, LightGBM, and SVR. The results show that for price prediction, tree-based models, especially GBRT with an R squared value of 0.88, generally outperform LSTM and SVR. However, all models achieve a mean absolute percentage error above 90%, and more than 65% of GBRT predictions have relative errors above 10%, which highlights the inherent difficulty of price forecast. For demand prediction, all models perform substantially better than in price prediction. AWMLSTM and GBRT achieve an R2 value of 0.96 with mean absolute percentage error below 32%, and GBRT has 74.37% of samples within 5% error, while LSTM and SVR perform less accurately in both tasks. Future improvements should focus on hybrid models such as tree plus transformers, data augmentation for extreme events, and error correction to better capture price spikes.
Authors: Rafael Pereira Eufrazio, Eduardo Fernandes Montesuma, Charles Casimiro Cavalcante
Abstract: Learning low-dimensional representations from multi-view relational data is challenging when underlying geometries differ across views. We propose Bary-GWMDS, a Gromov-Wasserstein-based method that operates directly on distance matrices to learn a consensus embedding preserving shared relational structure. By leveraging intrinsic distances, the approach naturally handles nonlinear distortions across views. We also introduce Mean-GWMDS-C, a clustering-oriented formulation that averages distance matrices and learns reduced-support representations via a consensus Gromov-Wasserstein transport. Experiments on synthetic and real-world datasets show that the proposed framework yields stable and geometrically meaningful embeddings.
Authors: Stavros Gerolymatos, J. Kyle Brubaker, Martin J. A. Schuetz, Vladimir V. Gusev
Abstract: Crystalline materials are widely used in technological applications, yet their discovery remains a significant challenge. As their properties are driven by structure, crystal structure prediction (CSP) methods play a central role in computational approaches aiming to accelerate this process. Previously, CSP has been approached from a combinatorial optimization perspective, with the core challenge of allocating atoms on a fine grid of predefined discrete positions within a unit cell while minimizing their interaction energy. Exact mathematical optimization methods provide guaranteed solutions, but they become computationally expensive for large-scale instances, where the atomic configuration space grows rapidly, particularly in the absence of additional symmetry constraints. In this work, we introduce a neural combinatorial optimization approach to the atom allocation challenge and, subsequently, CSP, based on graph neural networks (GNNs), which can effectively sample from the distribution of feasible structures in an unsupervised manner. We leverage expander graphs to construct computational graphs over discrete positions that capture both short- and long-range interactions between atoms, and employ the Gumbel-Sinkhorn approach to enforce the desired stoichiometry of the generated structures. We demonstrate that our method outperforms classical heuristic approaches and is competitive with a commercial optimization solver across a range of chemical compositions. This enables the use of ever-expanding GPU infrastructure to tackle the inherent combinatorial challenges of CSP, paving the way for scaling beyond current capabilities.
Authors: Nicholas R. Rasmussen, Longwei Wang, Rodrigue Rizk, Md Rezwanul Akter Pallab, Samuel Stuwart, Martina Mancini, Arun Singh, KC Santosh
Abstract: Developing robust and clinically reliable EEG biomarkers requires evaluation frameworks that explicitly address cross population generalization in multi site settings such as Parkinsons disease (PD) detection. Models trained under i.i.d. assumptions often capture population specific artifacts rather than disease relevant neural structure, leading to poor generalization across clinical cohorts. EEG further amplifies this challenge due to low signal to noise ratio and heterogeneous acquisition conditions. We propose a population aware evaluation framework to assess the robustness and clinical reliability of EEG biomarkers under distribution shift. Using an n gram expansion strategy, we enumerate all cross population train test configurations across five independent cohorts, resulting in 75 directional evaluations. A nested cross validation design with integrated channel selection ensures prospective biomarker identification without population leakage. Results show that cross population transfer is asymmetric and that both accuracy and biomarker stability improve with increasing training population diversity, achieving up to 94.1% accuracy on held out cohorts. A theoretical analysis based on mixture risk optimization and hypothesis space contraction explains these trends, showing that multi population training promotes population robust representations. This work establishes a principled framework for learning robust, generalizable, and clinically reliable EEG biomarkers for multi site biomedical applications.
Authors: Xiaoyu Zheng, Xu Tian, Bin Jiao, Kunbo Cui, Hanhe Lin, Lu Shen, Jin Liu
Abstract: Patients with dementia typically exhibit cognitive impairment, which is routinely assessed using the Mini-Mental State Examination (MMSE). Concurrently, their underlying neurophysiological abnormalities are reflected in Electroencephalography (EEG), providing a basis for joint modeling. However, traditional multi-task approaches suffer from feature entanglement, which leads to inter-task interference when handling heterogeneous objectives.To address this challenge, we propose a task-guided spatiotemporal network (TGSN) with diffusion augmentation for EEG-based dementia diagnosis and MMSE prediction. Specifically, TGSN integrates a multi-band feature fusion module to capture complementary spectral information from EEG. Meanwhile, a pre-trained data augmentation module utilizing a diffusion process is introduced toincrease sample diversity. To model the complex spatiotemporal patterns of EEG, we propose a gated spatiotemporal attention module that captures long-range spatial dependencies and temporal dynamics. Moreover, we design a task-guided query module to achieve task-specific feature extraction, thereby mitigating task interference. The effectiveness of TGSN is evaluated on the XY02 dataset. Experimental results demonstrate that the proposed network outperforms several state-of-the-art methods, achieving classification accuracies of 97.78\% for Alzheimer's Disease (AD)/Frontotemporal Dementia (FTD) and 83.93\% for AD/FTD/Vascular Cognitive Impairment (VCI), which exceed the best baselines by 16.39\% and 8.28\%, respectively. In parallel, it reduces the RMSE for MMSE prediction to 1.93 and 2.38, achieving significant error reductions of 1.44 and 1.43 compared to the best baselines. Additionally, validation on the DS004504 dataset demonstrates strong cross-dataset generalization...
Authors: Naveen Mysore
Abstract: Accurate time series forecasting in scientific domains such as climate modeling, physiological monitoring, and energy systems benefits from both competitive predictions and model transparency. This work proposes DecompKAN, a lightweight attention-free architecture that combines trend-residual decomposition, channel-wise patching, learned instance normalization, and B-spline Kolmogorov-Arnold Network (KAN) edge functions. Each KAN edge learns an explicit, inspectable 1D scalar function over learned patch-embedding coordinates that can be directly visualized. On standard benchmarks, DecompKAN achieves best or tied-best MSE on 15 of 32 dataset-horizon combinations among selected published baselines, and achieves best or tied-best MSE on 20 of 36 comparisons under a controlled same-recipe evaluation across 9 datasets including the physiological PPG-DaLiA benchmark. The architecture shows particular strength on datasets with smooth temporal dynamics (Solar -17%, ECL -10% vs. iTransformer, Weather) and physiological time series. Visualization of learned edge functions reveals qualitatively different latent nonlinearities across domains. Ablation analysis shows that the architectural pipeline (decomposition, patching, normalization) drives performance more than the choice of nonlinear layer, while the KAN formulation enables inspection of learned latent transformations.
Authors: Ibne Farabi Shihab, Sanjeda Akter, Anuj Sharma
Abstract: Continual learning for large language models is typically evaluated through accuracy retention under sequential fine-tuning. We argue that this perspective is incomplete, because uncertainty reliability can degrade earlier and more sharply than top-1 performance. We study this empirically by measuring conformal coverage and calibration error on sequentially fine-tuned models across three model families and eight task sequences drawn primarily from classification and multiple-choice benchmarks. Across the classification-style settings we study, coverage loss exceeds accuracy loss by a factor of roughly \(3.4\times \pm 0.5\times\) on average across seeds; in the most pronounced case, coverage drops from \(0.92\) to \(0.61\), while accuracy remains within three points of baseline. Standard continual-learning methods that preserve accuracy do not automatically preserve coverage, and naive calibration baselines recover only part of the gap. We propose calibration replay, a lightweight post-hoc procedure that maintains a task-specific held-out buffer and refits a task-specific conformal threshold under the current model after each update. It adds no training-time gradient cost, uses less than one percent of the memory of ordinary experience replay, and typically restores coverage to within two points of nominal at buffer size \(m = 200\). We accompany the empirical study with a drift decomposition, a finite-sample recovery theorem showing exact conformal validity under exchangeability, and a mixture-validity proposition explaining why pooled thresholds do not suffice. Our guarantees are stated for classification-style tasks with task-specific buffers; extensions to open-ended generation are exploratory.
Authors: Yanwei Cui, Guanghui Wang, Xing Zhang, Peiyang He, Ziyuan Li, Bing Zhu, Wei Qiu, Xusheng Wang, Zheng Yu, Anqi Xin
Abstract: Time series models predict numbers; decision-makers need advisory -- directional signals with reasoning, actionable suggestions, and risk management. Training language models for such predictive advisory faces a fundamental challenge: quality depends on outcomes unknown at prediction time. We bridge two ideas from reinforcement learning -- using information unavailable during execution to retrospectively generate training signal, and preference alignment -- and propose Hindsight Preference Optimization: observed outcomes let an LLM judge rank candidate advisories on dimensions that scalar metrics cannot capture, producing preference pairs for DPO without human annotation. We apply this to Vision-Language-Model-based predictive advisories on S&P 500 equity time series, demonstrated by a 4B model outperforming its 235B teacher on both accuracy and advisory quality.
Authors: Yuto Tanaka, Issei Sato
Abstract: Recent work on large language models (LLMs) has emphasized the importance of scaling inference compute. From this perspective, the state-of-the-art method Scattered Forest Search (SFS) has been proposed, employing Monte Carlo Tree Search with carefully crafted initial seeds and textual optimization for multi-turn code correction. However, its complexity makes it unclear what factors contribute to improvements in inference performance. To address this problem, we analyze SFS and propose a simpler method, Iterative Refinement of Textual Directions (IRTD), which fixes initial codes and iteratively refines textual directions. Because of the simplicity of IRTD, we theoretically establish the safety of IRTD using Oracle-Guided Inductive Synthesis (OGIS). Experiments on several code generation benchmarks suggest that IRTD achieves inference performance comparable to state-of-the-art methods. These results indicate that, even without complex search structures, refining initial codes with high-quality textual directions alone can effectively improve inference performance.
Authors: Danny Wang, Ruihong Qiu, Zi Huang
Abstract: Discrete diffusion language models (dLLMs) enable parallel token updates with bidirectional attention, yet practical generation typically adopts blockwise semi-autoregressive decoding. This switch creates a training-inference mismatch: training denoises with full-sequence context, while inference commits tokens within a bounded block without future context. Therefore, decoding with fixed-size or heuristic-based blocks can lead to premature token commitments, as decisions are made without full access to future context that could alter those choices. Motivated by this, we propose self-containedness as a principled criterion for block commitment. A block is self-contained if its predictions remain consistent with Future-Aware (FA) or without No-Future (NF) access to future context, reframing block boundary selection as a test of self-containedness rather than a heuristic choice. Based on this principle, we introduce Variable-size Self-contained Blocks (VSB) for dLLMs. VSB scores and selects block boundaries using the divergence between token-level predictive distributions under NF and FA conditioning, which quantifies how predictions would change if future context were revealed. We provide theoretical justification linking self-containedness to predictive consistency, and extensive experiments validate VSB's efficacy over fixed-size and heuristic blockwise decoding.
Authors: Jiaqi Wang, Wenhao Zhang, Weijie Shi, Yaliang Li, James Cheng
Abstract: On-policy distillation (OPD) has shown strong potential for transferring reasoning ability from frontier or domain-specific models to smaller students. While effective on static single-turn tasks, its behavior in multi-turn agent settings remains underexplored. In this work, we identify a key limitation of vanilla OPD in such settings, which we term Trajectory-Level KL Instability. Specifically, we observe that KL divergence increases together with a drop in success rate, and even after convergence, the KL remains high, leading to unstable training. This instability arises from inter-turn error compounding: as errors accumulate, the student is driven beyond the teacher's effective support, rendering the supervision signal unreliable. To address this, we propose TCOD (Temporal Curriculum On-Policy Distillation), a simple yet effective framework that controls the trajectory depth exposed to the student and progressively expands it from short to long with a curriculum schedule. Experimental results across four student-teacher pairs on three multi-turn agent benchmarks (ALFWorld, WebShop, ScienceWorld) show that TCOD mitigates KL escalation and enhances KL stability throughout training, improving agent performance by up to 18 points over vanilla OPD. Further evaluations show that TCOD can even surpass the teacher's performance and generalize to tasks on which the teacher fails.
Authors: Ibne Farabi Shihab, Sanjeda Akter, Anuj Sharma
Abstract: Post-Training Quantization (PTQ) compresses large language models to low bit-widths using a small calibration set, and its quality depends strongly on which samples are chosen. We identify a failure mode in which calibration samples fail to activate outlier channels, hidden dimensions with unusually large activations, causing the quantizer to underestimate their dynamic range and producing per-channel reconstruction errors that dominate layer-wise loss. Motivated by this observation, we argue that PTQ calibration quality is governed more by weighted outlier-channel coverage than by generic sample representativeness, and formulate calibration selection as a weighted set cover problem over outlier channels. The objective is monotone submodular, and the greedy algorithm, COVERCAL, operates on pre-computed activation statistics and requires no GPU time at selection. We further show that the weight choice is internally consistent: under a stylized clipping model, missed weighted coverage upper-bounds surrogate loss, justifying the weighted coverage objective as principled rather than purely empirical. Across LLaMA-2, LLaMA-3, and Mistral, under AWQ and GPTQ backends and five downstream evaluations, COVERCAL improves over random, max-perplexity, max-activation-variance, and stratified baselines, with the largest gains at small calibration budgets. At INT4 with 128 samples, COVERCAL improves MMLU by 1.2 to 1.5 points over random calibration and reduces perplexity degradation by 15 to 30\%; with 64 samples, it matches or exceeds random calibration at 256. The contribution is not a new PTQ backend but a formulation of calibration selection as weighted outlier coverage, with a simple, efficient algorithm and a surrogate-based justification.
Authors: Yutong He, Zhengyang Huang, Jiahe Geng
Abstract: Federated learning enables a population of clients to collaboratively train machine learning models without exchanging their raw data, but standard algorithms such as FedAvg suffer from slow convergence and high communication and memory costs in heterogeneous, resource-constrained environments. We introduce FedSLoP, a federated optimization algorithm that combines stochastic low-rank subspace projections of gradients, thereby reducing the dimension of communicated and stored updates while preserving optimization progress. On the theoretical side, we develop a detailed nonconvex convergence analysis under standard smoothness and bounded-variance assumptions, showing that FedSLoP is guaranteed to converge to a first-order stationary point at a rate of $O(1/\sqrt{NT})$. On the empirical side, we conduct extensive experiments on federated MNIST classification with heterogeneous data partitions, showing that FedSLoP substantially reduces communication volume and client-side memory while achieving competitive or better accuracy compared with FedAvg and representative sparse or low-rank baselines. Together, our results demonstrate that random subspace momentum methods such as FedSLoP provide a principled and effective approach to communication- and memory-efficient federated learning. Codes are available at: https://github.com/pkumelon/FedSLoP.git.
Authors: Rezaul Karim, Austin Wen, Wang Zongzuo, Weiwei Zhang, Yang Liu, Walid Ahmed
Abstract: The rapid growth in the size of large language models has necessitated the partitioning of computational workloads across accelerators such as GPUs, TPUs, and NPUs. However, these parallelization strategies incur substantial data communication overhead significantly hindering computational efficiency. While communication-computation overlap presents a promising direction, existing data slicing based solutions suffer from tail latency. To overcome this limitation, this research introduces a novel communication-computation overlap technique to eliminate this tail latency in state of the art overlap methods for distributed LLM training. The aim of this technique is to effectively mitigate communication bottleneck of tensor parallelism and data parallelism for distributed training and inference. In particular, we propose a novel method termed Flash-Overlap that replaces conventional collective operations of reduce-scatter and all-gather with decomposed peer-to-peer (P2P) communication and schedules partitioned computations to enable fine-grained overlap. Our method provides an exact algorithm for reducing communication overhead that eliminates tail latency. Moreover, it presents a versatile solution compatible with data-parallel training and various tensor-level parallelism strategies, including TPSP and UP. Experimental evaluations demonstrate that our technique consistently achieves lower latency, superior Model FLOPS Utilization (MFU), and high throughput.
Authors: Zean Han, Ruihan Lin, Zezhen Ding, Jiheng Zhang
Abstract: We study offline-to-online learning in linear contextual bandits with biased offline regression data: the offline parameter need not match the online one, so history should not be treated as a single warm start. We model directional transfer with a shift certificate $(M_{\mathrm{shift}},\rho)$ and offline ridge estimation, yielding a geometry-aware confidence region for the online parameter rather than an isotropic radius. We propose \emph{Ellipsoidal-MINUCB}, which combines a standard online branch with an offline-informed pooled branch and uses offline information only when it tightens uncertainty. With high probability, regret is bounded by the minimum of a standard SupLinUCB-style fallback and a pooled term that separates statistical width from a certificate-weighted shift penalty. Under a simple alignment condition, the pooled term further simplifies to a rate governed by an effective dimension induced by the offline geometry. We also show that a purely Euclidean (scalar) shift bound, by itself, does not determine which feature directions are transferable. Beyond this fixed certificate, we show how to learn a data-driven certificate from data at finitely many refresh times and establish a high-probability regret bound for Ellipsoidal-MINUCB with epoch-wise learned certificates. Experiments match the main prediction: gains are strongest at intermediate horizons when offline coverage and transferability align, while the method otherwise tracks the safe online baseline.
Authors: Jun Shu, Junxiong Jia, Deyu Meng, Zongben Xu
Abstract: Emergent intelligence have played a major role in the modern AI development. While existing studies primarily rely on empirical observations to characterize this phenomenon, a rigorous theoretical framework remains underexplored. This study attempts to develop a mathematical approach to formalize emergent intelligence from the perspective of limit theory. Specifically, we introduce a performance function E(N, P, K), dependent on data size N, model size P and training steps K, to quantify intelligence behavior. We posit that intelligence emerges as a transition from finite to effectively infinite knowledge, and thus recast emergent intelligence as existence of the limit $\lim_{N,P,K \to \infty} \mathcal{E}(N,P,K)$, with emergent abilities corresponding to the limiting behavior. This limit theory helps reveal that emergent intelligence originates from the existence of a parameter-limit architecture (referred to as the limit architecture), and that emergent intelligence rationally corresponds to the learning behavior of this limit system. By introducing tools from nonlinear Lipschitz operator theory, we prove that the necessary and sufficient conditions for existence of the limit architecture. Furthermore, we derive the scaling law of foundation models by leveraging tools of Lipschitz operator and covering number. Theoretical results show that: 1) emergent intelligence is governed by three key factors-training steps, data size and the model architecture, where the properties of basic blocks play a crucial role in constructing foundation models; 2) the critical condition Lip(T)=1 for emergent intelligence provides theoretical support for existing findings. 3) emergent intelligence is determined by an infinite-dimensional system, yet can be effectively realized in practice through a finite-dimensional architecture. Our empirical results corroborate these theoretical findings.
Authors: Hojoon Kim, Yuheng Wu, Thierry Tambe
Abstract: Embodied AI agents increasingly rely on large language models (LLMs) for planning, yet per-step LLM calls impose severe latency and cost. In this paper, we show that embodied tasks exhibit strong plan locality, where the next plan is largely predictable from the current one. Building on this, we introduce AgenticCache, a planning framework that reuses cached plans to avoid per-step LLM calls. In AgenticCache, each agent queries a runtime cache of frequent plan transitions, while a background Cache Updater asynchronously calls the LLM to validate and refine cached entries. Across four multi-agent embodied benchmarks, AgenticCache improves task success rate by 22% on average across 12 configurations (4 benchmarks x 3 models), reduces simulation latency by 65%, and lowers token usage by 50%. Cache-based plan reuse thus offers a practical path to low-latency, low-cost embodied agents. Code is available at https://github.com/hojoonleokim/MLSys26_AgenticCache.
Authors: Wenjie Du, Yiyuan Yang, Tianxiang Zhan, Qingsong Wen
Abstract: Partially-observed time series (POTS) is ubiquitous in real-world applications, yet most existing toolchains separate missing-value handling from downstream learning, which limits reproducibility and overall performance. This tutorial introduces PyPOTS, an open-source Python ecosystem for end-to-end data mining and machine learning on POTS. We present practical workflows spanning missingness simulation, data preprocessing, model training, and evaluation across core tasks, including imputation, forecasting, classification, clustering, and anomaly detection. The tutorial consists of two parts: Part I emphasizes hands-on application for practitioners through unified APIs and benchmark-oriented experiments. Part II targets developers and researchers, focusing on extending PyPOTS with custom models, domain-specific constraints, and contribution-ready engineering practices. Participants will gain both conceptual understanding and implementation experience for building robust, transparent, and reusable POTS pipelines in research and production settings. PyPOTS is publicly available at https://github.com/WenjieDu/PyPOTS
Authors: Russell Tsuchida, Frank Nielsen
Abstract: Bregman divergences play a pivotal role in statistics, machine learning and computational information geometry. Particularly in the context of machine learning, they are central to clustering, exponential families, parameter estimation and optimisation, among other things. Despite this, the full toolkit of Hilbert spaces and in particular reproducing kernel Hilbert spaces have not been systematically developed and applied to functional Bregman divergences, where points are functions rather than finite-dimensional parameter vectors. While other types of functional Bregman divergences have been studied, these are typically in a Banach space rather than more directly aligned with kernel methods and Hilbert-space geometry commonly used in machine learning. We consider functional Bregman divergences on a Hilbert space, where the self-dual pairing and Riesz representer afford us particularly convenient calculus. Further specialising Bregman generators as a composition involving a kernel mean embedding makes such divergences easy to estimate. We discuss applications in clustering, universal estimation, robust estimation and generative modelling, and contrast our approach with other types of Bregman divergences.
Authors: Chenhao Feng, Haoli Zhang, Shakhzod Ali-Zade, Yanli Zhao, Liang Luo, Jennifer Cao, Lisen Deng, Siqiao Chen, Chenyu Zhao, Tristan Rice, Daniel Johnson, Min Si, Tiantu Xu, Yi Zhang, Siqi Yan, Chuanhao Zhuge, Min Ni, Bi Xue, Qunshu Zhang, Shen Li
Abstract: Modern industrial Deep Learning Recommendation Models typically extract user preferences through the analysis of sequential interaction histories, subsequently generating predictions based on these derived interests. The inherent heterogeneity in data characteristics frequently result in substantial under-utilization of computational resources during large-scale training, primarily due to computational bubbles caused by severe stragglers and slow blocking communications. This paper introduces FreeScale, a solution designed to (1) mitigate the straggler problem through meticulously load balanced input samples (2) minimize the blocking communication by overlapping prioritized embedding communications with computations (3) resolve the GPU resource competition during computation and communication overlapping by communicating through SM-Free techniques. Empirical evaluation demonstrates that FreeScale achieves up to 90.3% reduction in computational bubbles when applied to real-world workloads running on 256 H100 GPUs.
Authors: Lea-Marie Sussek, Stefan Heindorf
Abstract: Temporal Graph Neural Networks (TGNNs) have become increasingly popular in recent years due to their superior predictive performance by combining both spatial and temporal information. However, how these models utilize the information to make predictions is rather unexplored, leading to potentially faulty or biased models. This work introduces two novel model-agnostic explainers for local explanations of TGNNs based on Shapley and Owen values. The first method, an event-level (edge-level) Shapley explainer, applies the KernelSHAP algorithm to estimate contribution scores for individual temporal events, providing interpretable descriptions for model behavior. The second, a feature-level Shapley explainer, extends this framework by decomposing event-level Shapley values into Owen values, and thereby uncovers hierarchical dependencies of the event and its features. The explainers outperform SOTA explainers on different metrics and datasets. Additionally, the Feature Explainer reveals a faulty extraction of actual timestamps of a commonly used TGAT implementation, helping to further understand performance drops on very sparse explanations.
Authors: June-Woo Kim, Miika Toikkanen, Heejoon Koo, Yoon Tae Kim, Doyoung Kwon, Kyunghoon Kim
Abstract: Training reliable respiratory sound classification models remains challenging due to the limited size and subject diversity of datasets. Ensemble methods can improve robustness, but when base models are trained on identical data, models tend to overfit and produce highly correlated predictions, thereby reducing the effectiveness of ensembling. In this work, we investigate a meta-ensemble learning methodology that enhances prediction diversity by training base models on diverse data splits and combining their outputs through a trained meta-model. Specifically, we train base models on the ICBHI dataset using two data split settings: fixed 80-20% split and five-fold cross-validation split, under two data granularity settings: patient- and sample-level. The resulting diversity in base model predictions enables the meta-model to better generalize. Our approach achieves new state-of-the-art performance on the ICBHI benchmark, reaching a Score of 66.49% and showing improved generalization on two out-of-distribution datasets, indicating its potential applicability to real-world clinical data.
Authors: Huaicheng Li, Junhui Zhao, Haoyu Quan, Xiaoming Wang
Abstract: Federated learning (FL) offers a promising distributed learning paradigm for internet of vehicles (IoV) applications. However, it faces challenges from communication overhead and dynamic environments. Model compression techniques reduce computing and communication burden yet create trade-offs between compression ratios and vehicle participation strategies. In this paper, we propose a lightweight FL algorithm named federated learning with dynamic low-rank adaptation (Fed-DLoRA), which is combined with low-rank adaptation (LoRA) to effectively reduce parameters and communication costs while enhancing training efficiency. The convergence analysis of Fed-DLoRA is conducted through stochastic gradient descent optimization coupled with singular value decomposition. This analysis establishes the theoretical relationships among LoRA rank, vehicular scheduling strategies and the model's convergence characteristics. Building on these insights, we formulate a joint optimization problem aimed at maximizing system performance. To address this problem, we propose an adaptive rank, bandwidth and vehicle selection (ARBVS) algorithm that integrates enumeration with greedy optimization strategies. The algorithm provides efficient rank selection and resource scheduling strategies for each FL communication round, thereby achieving effective performance improvements for the FL system. Experimental results demonstrate that Fed-DLoRA achieves superior performance compared to conventional federated learning approaches, exhibiting enhanced accuracy, faster convergence, and improved communication efficiency.
Authors: Maxence Hussonnois, Thommen George Karimpanal, Santu Rana
Abstract: Unsupervised skill discovery in reinforcement learning aims to intrinsically motivate agents to discover diverse and useful behaviours. However, unconstrained approaches can produce unsafe, unethical, or misaligned behaviours. To mitigate these risks and improve the practical desireability of discovered skills, recent work grounds the discovery process by leveraging human preference feedback. However, preference-based approaches are feedback-inefficient and inherently ill-equipped to deal with skill spaces composed of a variety of different skills such as running, jumping, walking, etc. To overcome this limitation, we introduce semantic labelling, a novel and feedback-efficient approach that leverages human cognitive strengths to identify and label semantically meaningful behaviours. Based on semantic labelling, we propose Semantically Relevant Skill Discovery (SRSD), a novel human-in-the-loop approach that collects semantic labels from human feedback and learns a reward function to encourage skills to be more semantically diverse and relevant. Through our experiments in a 2D navigation environment and four locomotion environments, we demonstrate that SRSD can improve semantic diversity and discover relevant behaviours while scaling effectively to a large variety of behaviours.
Authors: Jiayi Tan, Neelabhro Roy, James Gross, Rohit Chandra, Tsao-Tsen Chen
Abstract: Accurate modeling of outdoor-to-indoor (O2I) and indoor-to-indoor (I2I) signal loss is important for improving indoor wireless network performance in dense urban areas. Traditional on-site measurements are expensive, time-consuming, and difficult to conduct across wide regions. Real-world datasets also tend to be noisy and imbalanced, which makes signal loss prediction challenging. This study presents a machine learning framework for classifying radio frequency (RF) building loss. The framework combines passively collected, crowdsourced user equipment (UE) data from 3GPP-compliant networks with public building information. We evaluated Random Forest, XGBoost, LightGBM, and a voting classifier using both supervised (SL) and semi-supervised learning (SSL). Compared to SL-only inference, the proposed SL and SSL framework improved both prediction accuracy and confidence under identical data constraints, achieving up to 12.6% relative accuracy gain for O2I loss and 3.4% for I2I loss, while reducing prediction entropy by up to 8.4%. Among the evaluated models, SSL XGBoost provided the most confident O2I loss classification, whereas SSL LightGBM achieved the best performance for I2I loss. These results demonstrate that the proposed approach provides a practical, data-driven alternative to traditional models, with promising potential to support better network planning and indoor coverage optimization.
Authors: Wei Wang, Xiao-Yong Wei, Qing Li
Abstract: The Universal Approximation Theorem (UAT) guarantees universal function approximation but does not explain how residual models distribute approximation across layers. We reframe residual networks as a layer-wise approximation process that builds an approximation trajectory from input to target, and prove the existence of progressive trajectories where error decreases monotonically with depth. It reveals that residual networks can implement structured, step-by-step refinement rather than end-to-end (E2E) black-box mapping. Building on this, we propose Layer-wise Progressive Approximation (LPA), a theoretically grounded training principle that explicitly aligns each layer with its residual target to realize such trajectories. LPA is architecture-agnostic: we observe progressive behavior in residual FNNs, ResNets, and Transformers across tasks including complex surface fitting, image classification, and NLP with LLMs for generation and classification. Crucially, this enables ``train once, use $N$ models": a single network yields useful predictions at every depth, supporting efficient shallow inference without retraining. Our work unifies approximation theory with practical deep learning, providing a new lens on representation learning and a flexible framework for multi-depth deployment. The source code will be released unpon acceptance at https://(open\_upon\_acceptance).
Authors: Wenzhe Xu, Biao Liu, Yiyang Sun, Xin Geng, Ning Xu
Abstract: Multi-Objective Alignment aims to align Large Language Models (LLMs) with diverse and often conflicting human values by optimizing multiple objectives simultaneously. Existing methods predominantly rely on static preference weight construction strategies. However, rigidly aligning to fixed targets discards valuable intermediate information, as training responses inherently embody valid preference trade-offs even when deviating from the target. To address this limitation, we propose Meal, i.e., MEta ALigner, a bi-level meta-learning framework enabling bidirectional optimization between preferences and policy responses, generating instructive dynamic preferences for steadier training. Specifically, we introduce a preference-weight-net as a meta-learner to generate adaptive preference weights based on input prompts and update the preference weights as learnable parameters, while the LLM policy acts as a base-learner optimizing response generation conditioned on these preferences with rejection sampling strategy. Extensive empirical results demonstrate that our method achieves superior performance on several multi-objective benchmarks, validating the effectiveness of the dynamic bidirectional preference-policy optimization framework.
Authors: Boyang Fan, Hengchuang Yin, Siyu Yi, Yifan Wang, Zhicheng Li, Leijiyu Zhou, Jiancheng Lv, Wei Ju
Abstract: Motivation: Multi-omics integration can improve cancer subtyping, but modality informativeness and noise vary across cancer types and patients. Existing graph-based methods optimize modality weights jointly with the classification objective and therefore lack independent reliability estimates, so low-quality omics distort patient similarity graphs and amplify noise through message passing. Results: We propose CMGL, a two-stage framework that estimates per-sample modality reliability through evidential deep learning and uses the frozen confidence scores to guide cross-omics fusion and graph construction. On four MLOmics cancer-subtype tasks and the 32-class pan-cancer task, CMGL consistently improves over the strongest baseline, surpassing it by 4.03% in average accuracy on the four single-cancer tasks. Its representations recover the PAM50 intrinsic subtypes of breast invasive carcinoma (BRCA), and the BRCA-trained model transfers without fine-tuning to kidney renal clear cell carcinoma (KIRC), stratifying patients into prognostically distinct groups.
Authors: Haofei Cui, Guangxin He, Juanzhen Sun, Jingjia Luo, Haonan Chen, Xiaoran Zhuang, Mingxuan Chen, Xian Xiao
Abstract: Short-range prediction of convective precipitation from weather radar observations is essential for severe weather warnings. However, deep learning models trained with pixel-wise error metrics tend to produce overly smooth forecasts that suppress intense echoes critical for hazard detection. This issue is exacerbated by insufficient multi-scale feature interaction and suboptimal fusion of heterogeneous geophysical inputs. We propose IMPA-Net (Integrated Multi-scale Predictive Attention Network), a deterministic 0-2 hour nowcasting framework that addresses these limitations through meteorologically-informed designs at the input, architecture, and loss function levels. A parameter-free Spatial Mixer reorganizes heterogeneous input channels at the mesoscale-$\gamma$ neighborhood (~2 km) via deterministic channel permutation, providing a structured cross-field prior. An integrated multi-scale predictive attention module serves as the spatiotemporal translator, capturing dynamics from mesoscale-$\beta$ to mesoscale-$\gamma$ scales. A Meteorologically-Aware Dynamic Loss employs three-level asymmetric weighting -- adapting across training epochs, storm intensity, and forecast lead time -- to counteract regression-to-the-mean. Evaluated against seven baselines on a multi-source radar dataset over eastern China, IMPA-Net raises the Heidke Skill Score at $\geq$45 dBZ from 0.049 (SimVP baseline) to 0.143 under matched settings. Relative to pySTEPS, it provides a better trade-off between severe-event detection and false-alarm control. Spectral analysis confirms preserved energy across mesoscale bands where competing methods show progressive smoothing. These improvements are shown within a single domain and convective regime; generalizability to other orographic and climatic regions remains to be tested.
Authors: Yiming Zhang, Sitong Liu, Ke Li, Zhihong Wu, Alex Cloninger, Melvin Leok
Abstract: Diffusion models are a leading paradigm for data generation, but training-free editing typically re-runs the full denoising trajectory for every edit strength, making iterative refinement expensive. To address this issue, we instead edit near the data manifold, where small local updates can replace repeated re-synthesis. To enable this, we estimate a local manifold tangent space directly from perturbed samples and prove that this sample-based estimator closely approximates the true tangent. Building on this guarantee, we devise a Jacobian-free algorithm that constructs a tangent frame via small perturbations to the initial noise and alternates small tangent moves with diffusion-based projections. Updates within this frame follow principled on-manifold directions while suppressing off-manifold drift, enabling fine-grained edits without full re-diffusion or additional training. Edit strength is controlled by the number of steps for rapid, continuous adjustments that preserve fidelity and plug into existing samplers. Empirically, the resulting tangent directions yield smooth, semantic unsupervised traversals and effective CLIP-guided optimization, demonstrating practical interactive continuous editing.
Authors: Md. Ashiq Ul Islam Sajid, Mohammad Sakib Mahmood, Md. Tareq Hasan, Md Abdur Rahim, Rafat Ara, Md. Arafat Hossain
Abstract: The deployment of intelligent reinforcement learning (RL) agents on resource-constrained edge devices remains a fundamental challenge due to the substantial memory, computational, and energy requirements of modern deep learning systems. While large language models (LLMs) have emerged as powerful architectures for decision-making agents, their multi-billion parameter scale confines them to cloud-based deployment, raising concerns about latency, privacy, and connectivity dependence. We introduce BitRL, a framework for building RL agents using 1-bit quantized language models that enables practical on-device learning and inference under severe resource constraints. Leveraging the BitNet b1.58 architecture with ternary weights (-1, 0, +1) and an optimized inference stack, BitRL achieves 10-16x memory reduction and 3-5x energy efficiency improvements over full-precision baselines while maintaining 85-98 percent of task performance across benchmarks. We provide theoretical analysis of quantization as structured parameter perturbation, derive convergence bounds for quantized policy gradients under frozen-backbone architectures, and identify the exploration-stability trade-off in extreme quantization. Our framework systematically integrates 1-bit quantized language models with reinforcement learning for edge deployment and demonstrates effectiveness on commodity hardware.
Authors: Chen Xu
Abstract: We present a framework using Relative Entropy Inverse Reinforcement Learning (RE-IRL) to recover investor reward functions from observed investment actions and market conditions. Unlike traditional IRL algorithms, RE-IRL is employed to account for environments where transition probabilities are unknown or inaccessible. To address the challenge of data sparsity, we utilize a $K$-nearest neighbor approach to estimate the observed behavior policy. Furthermore, we propose a statistical testing framework to evaluate the validity and robustness of the estimated results.
Authors: Qinhan Hou, Jing Tang
Abstract: Graph neural ordinary differential equations (Graph ODEs) extend graph learning from discrete message-passing layers to continuous-time representation flows. While it supports adaptive long-range propagation, we show that Graph ODEs with strictly positive irreducible mixing operators face an inherent \emph{monostability trap}: in the long-time regime, information leakage is unavoidable and the dynamics converge to a single global consensus attractor. We propose the \textbf{Hysteresis Graph ODE (HGODE)}, which couples feature evolution with a latent topological potential driven by a learned pairwise force. A double-well edge potential and bipolarized gate allow edge states to polarize into connected or insulated phases while preserving differentiability. We provide asymptotic analysis of the collapse mechanism and the proposed hysteretic topology dynamics, and validate HGODE on theory-driven synthetic diagnostics and real-world graph benchmarks.
Authors: Ankan Basu, Jyotiraditya Roy, Aditya Datta, Prayas Sanyal, Sumanta Banerjee
Abstract: Accurate forecasting of solar power output is essential for efficient integration of renewable energy into the grid. In this study, an attention-based deep learning model, inspired by transformer architecture, is used for short-term solar power forecasting. Our proposed model, "SolarTformer", is designed to predict solar power output from meteorological data. Unlike traditional models, SolarTformer leverages self-attention mechanisms to effectively capture temporal dependencies and spatial variability in solar irradiance. In addition, the proposed methodology includes feeding power station-specific metadata into the model, which helps to generalize between power stations located at different locations and with different panel configurations and in different seasons. Our experiments demonstrate that SolarTformer significantly outperforms previous models on the same data set. In particular, the model exhibits strong performance on both clear and cloudy days, indicating high robustness and generalizability. These findings highlight the potential of attention-based architectures in enhancing the accuracy of solar forecasting, contributing to a more reliable management of renewable energy.
Authors: Wonyong Cho, Taemin Kim, Jungmin Kim, Jeong-Rae Kim, Sung Hoon Jung
Abstract: Training large-scale deep neural networks effectively and stably is essential for applying deep learning across various fields. However, conventional methods, which rely on training a single large network, often encounter challenges such as gradient vanishing, overfitting and unstable learning. To overcome these limitations, we introduce Self-Abstraction Learning (SAL), a hierarchical framework. In SAL, networks are arranged by structural complexity, where the simplest topmost network is trained first and its hidden and output layers serve as guidance for the successively more complex networks below. This top-down sequential guidance effectively mitigates optimization issues, enabling stable training of deep architectures. Various experiments across MLP, CNN, and RNN architectures demonstrate that SAL consistently outperforms conventional methods, ensuring robust generalization even in data-scarce and complex network regimes.
Authors: Mengnan Zhao, Lihe Zhang, Bo Wang, Tianhang Zheng, Hong Zhong, Geyong Min
Abstract: Fast Adversarial Training (FAT) has proven effective in enhancing model robustness by encouraging networks to learn perturbation-invariant representations. However, FAT often suffers from catastrophic overfitting (CO), where the model overfits to the training attack and fails to generalize to unseen ones. Moreover, robustness oriented optimization typically leads to notable performance degradation on clean inputs, and such degradation becomes increasingly severe as the perturbation budget grows. In this work, we conduct a comprehensive analysis of how guidance strength affects model performance by modulating perturbation and supervision levels across distinct confidence groups. The findings reveal that low confidence samples are the primary contributors to CO and the robustness accuracy trade off. Building on this insight, we propose a Distribution-aware Dynamic Guidance (DDG) strategy that dynamically adjusts both the perturbation budget and supervision signal. Specifically, DDG scales the perturbation magnitude according to the sample confidence at the ground truth class, thereby guiding samples toward consistent decision boundaries while mitigating the influence of learning spurious correlations. Simultaneously, it dynamically adjusts the supervision signal based on the prediction state of each sample, preventing overemphasis on incorrect signals. To alleviate potential gradient instability arising from dynamic guidance, we further design a weighted regularization constraint. Extensive experiments on standard benchmarks demonstrate that DDG effectively alleviates both CO and the robustness accuracy trade off.
Authors: Atahan Cilan, Mahir Demir, \"Ozg\"un Can Y\"ur\"utken, Seyyid Osman Sevgili, \"Umit Can Bekar
Abstract: This paper evaluates an advanced jet trainer's utilization of artificial intelligence (AI)-based aircraft aerobatic maneuvers with the intention of developing an AI-assisted pilot training module for specific aircraft maneuvers. A multitude of aircraft maneuvers have been simulated using reinforcement learning (RL) agents, which will serve as a training tool for future pilots.
Authors: Mengnan Zhao, Lihe Zhang, Tianhang Zheng, Bo Wang, Baocai Yin
Abstract: Fast Adversarial Training (FAT) has attracted significant attention due to its efficiency in enhancing neural network robustness against adversarial attacks. However, FAT is prone to catastrophic overfitting (CO), wherein models overfit to the specific attack used during training and fail to generalize to others. While existing methods introduce diverse hypotheses and propose various strategies to mitigate CO, a systematic and intuitive explanation of CO remains absent. In this work, we innovatively interpret CO through the lens of backdoor. Through validations on pathway division, diverse feature predictions, and universal class distinguishable triggers in CO, we conceptualize CO as a weak trigger variant of unlearnable tasks, unifying CO, backdoor attacks, and unlearnable tasks under a common theoretical framework. Guided by this, we leverage several backdoor inspired strategies to mitigate CO: (i) Recalibrate CO affected model parameters using vanilla fine tuning, linear probing, or reinitialization-based techniques; (ii) Introduce a weight outlier suppression constraint to regulate abnormal deviations in model weights. Extensive experiments support our interpretation of CO and show the efficacy of the proposed mitigation strategies.
Authors: Zhongjie Duan, Hong Zhang, Yingda Chen
Abstract: Controllable diffusion methods have substantially expanded the practical utility of diffusion models, but they are typically developed as isolated, backbone-specific systems with incompatible training pipelines, parameter formats, and runtime hooks. This fragmentation makes it difficult to reuse infrastructure across tasks, transfer capabilities across backbones, or compose multiple controls within a single generation pipeline. We present Diffusion Templates, a unified and open plugin framework that decouples base-model inference from controllable capability injection. The framework is organized around three components: Template models that map arbitrary task-specific inputs to an intermediate capability representation, a Template cache that functions as a standardized interface for capability injection, and a Template pipeline that loads, merges, and injects one or more Template caches into the base diffusion runtime. Because the interface is defined at the systems level rather than tied to a specific control architecture, heterogeneous capability carriers such as KV-Cache and LoRA can be supported under the same abstraction. Based on this design, we build a diverse model zoo spanning structural control, brightness adjustment, color adjustment, image editing, super-resolution, sharpness enhancement, aesthetic alignment, content reference, local inpainting, and age control. These case studies show that Diffusion Templates can unify a broad range of controllable generation tasks while preserving modularity, composability, and practical extensibility across rapidly evolving diffusion backbones. All resources will be open sourced, including code, models, and datasets.
Authors: Mahir Demir, Atahan Cilan, Seyyid Osman Sevgili, \"Ozg\"un Can Y\"ur\"utken, \"Umit Can Bekar
Abstract: This article explores the progress made in the creation of a pilot activated recovery system (PARS) for advanced jet trainers that utilizes artificial intelligence (AI) in an effort to enhance operational efficiency. The PARS model employs an advanced reinforcement learning (RL) architecture, incorporating a cutting-edge soft-actor critic (SAC) model and hyper-parameter optimization methods. Negative-g punishments and other handcrafted features remarked upon by control engineers and domain experts regarding PARS are also taken into account by the system. When evaluated by them, the AI model's behavior is deemed more desirable than that of conventional control methods.
Authors: Dake Bu, Wei Huang, Andi Han, Hau-San Wong, Qingfu Zhang, Taiji Suzuki, Atsushi Nitanda
Abstract: Diffusion language models generate without a fixed left-to-right order, making token ordering a central algorithmic choice: which tokens should be revealed, retained, revised or verified at each step? Existing systems mainly use random masking or confidence-driven ordering. Random masking creates train--test mismatch, while confidence-only rules are efficient but can be myopic and suppress useful exploration. We introduce DPRM (Doob h-transform Process Reward Model), a plug-in token-ordering module for diffusion language models. DPRM keeps the host architecture, denoising objective and supervision unchanged, and changes only the ordering policy. It starts from confidence-driven progressive ordering and gradually shifts to Doob h transform Process Reward guided ordering through online estimates. We characterize the exact DPRM policy as a reward-tilted Gibbs reveal law, prove O(1/N) convergence of the stagewise Soft-BoN approximation, and show that the online bucketized controller tracks the exact DPRM score at empirical-Bernstein rates. Under tractable optimization assumptions, DPRM also yields a sample-complexity advantage over random and confidence-only ordering. DPRM improves over confidence-based baselines in pretraining, post-training, test-time scaling, and single-cell masked diffusion, with particularly strong gains on harder reasoning subsets. In protein, molecular generation and DNA design, the effect is more multi-objective: ordering-aware variants significantly improve selected structural or fragment-constrained metrics while not uniformly dominating the host baseline on every quality metric. These results identify token ordering as a fundamental control axis in diffusion language models and establish DPRM as a general-purpose module for improving it. Code is available at https://github.com/DakeBU/DPRM-DLLM.
Authors: Shuo Yang, Zheyu Zhang, Bardh Prenkaj, Gjergji Kasneci
Abstract: Generating high-fidelity synthetic tabular data remains a critical challenge for enhancing data availability in privacy-sensitive and low-resource domains. Recent approaches leverage LLMs by representing table rows as sequences, yet suffer from two fundamental limitations: (1) they model feature dependencies densely, introducing spurious correlations; and (2) they assume static relationships between features, ignoring how these dependencies vary with feature values. To overcome these limitations, we introduce SAGE (Sparse Adaptive Guidance), a novel LLM-based generation framework that enforces sparse and dynamic dependency guidance. SAGE discretizes features into value-aware pseudo-features and constructs a mutual information-based sparse dependency graph. This graph adaptively guides generation through explicit context selection or implicit logit correction, enabling LLMs to focus on truly relevant information during synthesis. Our extensive experiments across six datasets and multiple tasks reveal that SAGE not only improves data fidelity and downstream utility, boosting F1 scores by 10% compared to previous LLM-based methods, but also reduces policy violations by one point. These results highlight the importance of adaptive structure in tabular data generation and provide new insights into context-sensitive control of LLMs.
Authors: Di Wang, Chupei Tang, Junxiao Kong, Jixiu Zhai, Moyu Tang, Tianchi Lu
Abstract: Cancer survival prediction from multi-omics data remains challenging because prognostic signals are high-dimensional, heterogeneous, and distributed across interacting genes and pathways. We propose PathMoG, a pathway-centric modular graph neural network for multi-omics survival prediction. PathMoG reorganizes genome-scale inputs into 354 KEGG-informed pathway modules, introduces a Hierarchical Omics Modulation module to condition gene-expression representations on mutation, copy number variation, pathway, and clinical context, and uses dual-level attention to capture both intra-pathway driver signals and inter-pathway clinical relevance. We evaluated PathMoG on 5,650 patients across 10 TCGA cancer types and observed consistent improvements over representative survival baselines. The framework further provides gene-level, pathway-level, and patient-level interpretability, supporting biologically grounded and clinically relevant risk stratification.
Authors: Mufhumudzi Muthivhi, Terence L. van Zyl
Abstract: There has been growing interest in studying the complexity of Rectified Linear Unit (ReLU) based activation networks. Recent work investigates the evolution of the number of piecewise-linear partitions (linear regions) that are formed during training. However, current research is limited to examining the complexity of models trained in a supervised way. Self-Supervised Learning (SSL) differs in that it directly optimises the representation space using a loss function to enhance the model's performance across multiple downstream tasks. This study investigates the local distribution of linear regions produced by SSL models. We demonstrate that the evolution of linear regions correlates with the representation quality by utilising SplineCam to extract two-dimensional polytopes near the data distribution. We track the number, area, eccentricity, and boundaries of regions throughout training. The study compares supervised, contrastive, and self-distillation methods over two standard benchmark datasets, MNIST and FashionMNIST. The analysis of the experimental results shows that self-supervised methods create substantially fewer regions to achieve comparable accuracy to supervised models. Contrastive methods rapidly expand regions over time, whereas self-distillation methods tend to consolidate by merging neighbouring regions. Lastly, we can detect representation collapse early within the geometric space of linear regions. Our analysis suggests that polytopal metrics can serve as reliable indicators of representation quality and model performance.
Authors: Seyyid Osman Sevgili, Atahan Cilan, Mahir Demir, \"Ozg\"un Can Y\"ur\"utken, \"Umit Can Bekar
Abstract: This article evaluates an artificial intelligence (AI)-based Automatic Ground Collision Avoidance System (AGCAS) designed for advanced jet trainers to enhance operational effectiveness. In the continuously evolving field of aerospace engineering, the integration of AI is crucial for advancing operations with improved timing constraints and efficiency. Our study explores the design process of an AI-driven AGCAS, specifically tailored for advanced jet trainers, focusing on addressing the AGCAS problem within a limited observation space. The system utilizes line-of-sight queries on a terrain server to ensure precise and efficient collision avoidance. This approach aims to significantly improve the safety and operational capabilities of advanced jet trainers.
Authors: Shiyun Wa, Yifei Wang, Simone Sciabola, Ye Wang
Abstract: Molecular similarity plays a central role in ligand-based drug discovery, such as virtual screening, analog searching, and goal-directed molecular generation. However, traditional similarity measures, ranging from fingerprint-based Tanimoto coefficients to 3D shape overlays, are often computationally expensive at scale or rely on hand-crafted molecular descriptors. Meanwhile, many deep learning approaches to similarity-aware design still depend on similarity-specific supervision or costly data curation, limiting their generality across targets. In this work, we propose pretrained embedding distance (PED) as an effective alternative, computed directly from pretrained molecular models without task-specific training. Experimental results show that PED exhibits distinct correlations with traditional similarity metrics, and performs effectively in both ranking molecules for virtual screening and guiding molecular generation via reward design. These findings suggest that pretrained molecular embeddings capture rich structural information and can serve as a promising and scalable similarity measurement for modern AI-aided drug discovery.
Authors: Xinrun Wang, Deshun Xia, Ke Xu, Weijie Zhu
Abstract: Accurate trajectory prediction is fundamentally challenging due to high scene heterogeneity - the severe variance in motion velocity, spatial density, and interaction patterns across different real-world environments. However, most existing approaches typically train a single unified model, expecting a fixed-capacity architecture to generalize universally across all possible scenarios. This conventional model-centric paradigm is fundamentally flawed when confronting such extreme heterogeneity, inevitably leading to a severe generalization gap, degraded accuracy, and massive computational waste. To overcome this bottleneck, rather than refining restricted model-centric architectures, we propose selective learning, a novel scene-centric paradigm. It explicitly analyzes the characteristics of the underlying scene to dynamically route inputs to the most appropriate expert models. As a concrete implementation of this paradigm, we introduce SceneSelect. Specifically, SceneSelect utilizes unsupervised clustering on interpretable geometric and kinematic features to discover a latent scene taxonomy. A highly decoupled classification module is then trained to assign real-time inputs to these scene categories, and a highly extensible, plug-and-play scheduling policy automatically dispatches the trajectory sequence to the optimal expert predictor. Crucially, this decoupled design ensures excellent generalization capabilities, allowing seamless integration with different off-the-shelf models and robust adaptation across new datasets without requiring computationally expensive joint retraining. Extensive experiments on three public benchmarks (ETH-UCY, SDD, and NBA) demonstrate that our method consistently outperforms strong single-model and ensemble baselines, achieving an average improvement of 10.5%, showcasing the effectiveness of scene-aware selective learning.
Authors: Zhi Chen, Cheng Peng, Wei Tang
Abstract: Robust forecast aggregation combines the predictions of multiple information sources to perform well in the worst case across all possible information structures. Previous work largely focuses on settings with a known binary state space, where the state is either 0 or 1. We study prior-agnostic robust forecast aggregation in which the aggregator observes only experts' reports, yet is ignorant of both the underlying joint information structure and the full prior, including the underlying state space. Unlike the standard model that fixes the binary state space {0, 1}, we allow the (binary) unknown state values to be arbitrary numbers in [0, 1], so the same reported probability may correspond to very different realized outcome frequencies across environments. Our main contribution is a simple, explicit, closed-form log-odds aggregator that linearly pools forecasts in logit space, together with (nearly-)tight minimax-regret guarantees across three knowledge regimes. We first show that under conditionally independent (CI) signals, robust aggregation with an unknown state space is strictly harder than in the known-state setting by establishing a larger lower bound, and our aggregation rule can achieve a worst-case regret of 0.0255. Along the way, we also characterize tight regret bounds for Blackwell-ordered structures and for general information structures. In the classical setting with known state space {0,1}, our aggregator achieves regret strictly below 0.0226 for CI structures. To the best of our knowledge, this is the first explicit closed-form aggregator that achieves a regret upper bound strictly less than 0.0226. Finally, we extend the model where the aggregator additionally knows each expert's marginal forecast distribution; in this setting, with the CI structures, we show that a generalized log-odds rule achieves regret of 0.0228, complementing with a lower bound of 0.0225.
Authors: Ying-Tu Chen, Wei Hung, Bing-Shu Wu, Zhang-Wei Hong, Ping-Chun Hsieh
Abstract: Many sequential decision-making tasks involve optimizing multiple conflicting objectives, requiring policies that adapt to different user preferences. In multi-objective reinforcement learning (MORL), one widely studied approach} addresses this by training a single policy network conditioned on preference-weighted rewards. In this paper, we explore a novel algorithmic perspective: leveraging reward-free reinforcement learning (RFRL) for MORL. While RFRL has historically been studied independently of MORL, it learns optimal policies for any possible reward function, making it a natural fit for MORL's challenge of handling unknown user preferences. We propose using the RFRL's training objective as an auxiliary task to enhance MORL, enabling more effective knowledge sharing beyond the multi-objective reward function given at training time. To this end, we adapt a state-of-the-art RFRL algorithm to the MORL setting and introduce a preference-guided exploration strategy that focuses learning on relevant parts of the environment. Through extensive experiments and ablation studies, we demonstrate that our approach significantly outperforms the state-of-the-art MORL methods across diverse MO-Gymnasium tasks, achieving superior performance and data efficiency. This work provides the first systematic adaptation of RFRL to MORL, demonstrating its potential as a scalable and empirically effective solution to multi-objective policy learning.
Authors: Michal Valko, Alexandra Carpentier, R\'emi Munos
Abstract: We study the problem of global maximization of a function f given a finite number of evaluations perturbed by noise. We consider a very weak assumption on the function, namely that it is locally smooth (in some precise sense) with respect to some semi-metric, around one of its global maxima. Compared to previous works on bandits in general spaces (Kleinberg et al., 2008; Bubeck et al., 2011a) our algorithm does not require the knowledge of this semi-metric. Our algorithm, StoSOO, follows an optimistic strategy to iteratively construct upper confidence bounds over the hierarchical partitions of the function domain to decide which point to sample next. A finite-time analysis of StoSOO shows that it performs almost as well as the best specifically-tuned algorithms even though the local smoothness of the function is not known.
Authors: Kalyani P. Pande, Evan Yang, Bryan Zhu, Sandeep K. Mallipattu, Alisa Yurovsky, Tengfei Ma
Abstract: Progression to dialysis or end-stage renal disease is a rare but clinically important outcome. Clinicians need evidence on how medication exposures influence downstream risk. We constructed a fixed-window EHR cohort (90-day observation, 730-day prediction; N=81401; dialysis/ESRD prevalence: 1.1%) and modeled sequences of diagnoses, procedures, and medications with kidney laboratory trends (creatinine, BUN, eGFR). A transformer-based causal multi-head model was trained to estimate drug- and ingredient-level average treatment effects (ATEs) using counterfactual exposure removal and insertion under a full medication history setup. On test set, predictive performance reached an AUC of 0.694 and PR-AUC of 0.094. At the selected decision threshold (0.883), the model achieved an F1 score of 0.201 with a Brier score of 0.018. Post-hoc causal analyses of lab changes (eGFR, creatinine, BUN) using IPTW, AIPW, naive, and covariate-adjusted OLS methods assessed clinical directionality. Results showed partial protective-direction support for ACE/ARB exposures and worsening-direction signals for loop diuretics.
Authors: Yihong Zhou, Hongtai Zeng, Thomas Morstyn
Abstract: Coordinating large populations of grid-edge devices requires learning methods that remain fully decentralised in deployment while still respecting three-phase AC distribution-network physics. This paper proposes gradient-based multi-agent proximal learning (GradMAP) to address this challenge. GradMAP trains independent neural-network policies for each agent without any parameter sharing, and each agent uses only its own local observation for online decision-making without communication. During offline training, GradMAP embeds a differentiable three-phase AC power-flow model in a primal-dual learning loop and uses implicit differentiation to propagate exact network-constraint violations to update the policy parameters. To speed up training, GradMAP reuses expensive environment gradients through a proximal surrogate within a trust region defined in the more direct policy-output (action) space, instead of the probability distribution space used in other works, such as PPO. In case studies with 1,000 agents managing batteries, heat pumps, and controllable generators on the IEEE 123-bus feeder, GradMAP learns decentralised policies that minimise three-phase AC load-flow constraint violations within 15 minutes of training on a single workstation-class NVIDIA RTX PRO 5000 Blackwell 48GB GPU. This is a 3--5x training speed-up over gradient-based self-supervised learning benchmarks and substantially better training efficiency than multi-agent reinforcement-learning benchmarks. In out-of-sample tests, GradMAP also delivers among the lowest operating cost and constraint violations.
Authors: Tomas Kocak, Gergely Neu, Michal Valko, Remi Munos
Abstract: We consider online learning problems under a partial observability model capturing situations where the information conveyed to the learner is between full information and bandit feedback. In the simplest variant, we assume that in addition to its own loss, the learner also gets to observe losses of some other actions. The revealed losses depend on the learner's action and a directed observation system chosen by the environment. For this setting, we propose the first algorithm that enjoys near-optimal regret guarantees without having to know the observation system before selecting its actions. Along similar lines, we also define a new partial information setting that models online combinatorial optimization problems where the feedback received by the learner is between semi-bandit and full feedback. As the predictions of our first algorithm cannot be always computed efficiently in this setting, we propose another algorithm with similar properties and with the benefit of always being computationally efficient, at the price of a slightly more complicated tuning mechanism. Both algorithms rely on a novel exploration strategy called implicit exploration, which is shown to be more efficient both computationally and information-theoretically than previously studied exploration strategies for the problem.
Authors: Lidia Losavio, Luca Persia, Madan Sathe, Dimosthenis Pasadakis
Abstract: Technological advancements in cryptocurrency markets have increased accessibility for investors, but concurrently exposed them to the risks of market manipulations. Existing fraud detection mechanisms typically rely on machine learning methods that treat each financial asset (i.e., token) and its related transactions independently. However, market manipulation strategies are rarely isolated events, but are rather characterized by coordination, repetition, and frequent transfers among related assets. This suggests that relational structure constitutes an integral component of the signal and can be effectively represented through graphical means. In this paper, we propose three graph construction methods that rely on aggregated hourly market data. The proposed graphs are processed by a unified spatio-temporal Graph Neural Network (GNN) architecture that combines attention-based spatial aggregation with temporal Transformer encoding. We evaluate our methodology on a real-world dataset comprised of pump-and-dump schemes in cryptocurrency markets, spanning a period of over three years. Our comparative results showcase that our graph-based models achieve significant improvements over standard machine learning baselines in detecting anomalous events. Our work highlights that learned market connectivity provides substantial gains for detecting coordinated market manipulation schemes.
Authors: Md All Shahria, Sanjeda Dewan Mithila, Touhid Alam, Mohammad Sakib Mahmood, Mahfuza Khatun
Abstract: The widespread adoption of social media has heightened interest in its psychological effects, particularly on mental health indicators such as anxiety, depression, loneliness, and sleep quality, as these platforms increasingly influence social interactions and well-being. Although previous research has examined correlations between social media use and mental health, few studies have utilized unsupervised machine learning to segment users based on behavioral and psychological patterns, leaving a gap in identifying distinct risk profiles across diverse groups. This study seeks to address this by segmenting individuals according to their social media usage and psychological well-being, employing clustering to reveal hidden patterns and evaluate their mental health implications. Data from 551 participants, collected via an online survey, were preprocessed using KNN imputation for missing values, one-hot encoding for categorical variables like Gender with 5 unique values, and outlier detection via IQR and Z-score methods. K-Means clustering, optimized at 6 clusters using the Elbow Method and a Silhouette Score of 0.32, was applied, with PCA reducing 22 dimensions for visualization and a correlation heatmap highlighting relationships, such as a 0.28 correlation between social media hours and anxiety.
Authors: Kevin McKee, Thomas Hazy, Yicong Zheng, Zacharie Bugaud, Thomas Miconi
Abstract: Block-sequential continual learning demands that a single model both protect prior solutions from catastrophic forgetting and efficiently infer at inference time which prior solution matches the current input without task labels. We present Functional Task Networks (FTN), a parameter-isolation method inspired by structural and dynamical motifs found in the mammalian neocortex. Similar to mixture-of-experts, this method uses a high dimensional, self-organizing binary mask over a large population of small but deep networks, inspired by dendritic models of pyramidal neurons. The mask is produced by a three-stage procedure: (1) gradient descent on a continuous mask identifies task-relevant neurons, (2) a smoothing kernel biases the result toward spatial contiguity, (3) and k-winner-take-all binarizes the resulting group at a fixed capacity budget. Like mixture-of-experts, each neuron is an independent deep network, so disjoint masks give exactly disjoint gradient updates, providing structural guarantees against catastrophic forgetting. This three-stage procedure recovers the sub-network of a previously-trained task in a single gradient step, providing unsupervised task segmentation at inference time. We test it on three continual-learning benchmarks: (1) a synthetic multi-task classification/regression generator, (2) MNIST with shuffled class labels (pure concept shift), and (3) Permuted MNIST (domain shift). On all three, FTN with fine grained smoothing (FTN-Slow) results in nearly zero forgetting. FTN with a large kernel and only 2 iterations of smoothing (FTN-Fast) trades off some retention for increased speed. We show that the spatial organization mechanism reduces the effective mask search from the combinatorial top-k subset problem in O(C(H,K)) to the complexity of a near-linear scan in O(H) over compact cortical neighborhoods, which is parallelized by the gradient-based update.
Authors: Jiachen Liu, Jiaxin Pei, Jintao Huang, Chenglei Si, Ao Qu, Xiangru Tang, Runyu Lu, Lichang Chen, Xiaoyan Bai, Haizhong Zheng, Carl Chen, Zhiyang Chen, Haojie Ye, Yujuan Fu, Zexue He, Zijian Jin, Zhenyu Zhang, Shangquan Sun, Maestro Harmon, John Dianzhuo Wang, Jianqiao Zeng, Jiachen Sun, Mingyuan Wu, Baoyu Zhou, Yuchen You, Shijian Lu, Yiming Qiu, Fan Lai, Yuan Yuan, Yao Li, Junyuan Hong, Ruihao Zhu, Beidi Chen, Alex Pentland, Ang Chen, Mosharaf Chowdhury, Zechen Zhang
Abstract: Scientific publication compresses a branching, iterative research process into a linear narrative, discarding the majority of what was discovered along the way. This compilation imposes two structural costs: a Storytelling Tax, where failed experiments, rejected hypotheses, and the branching exploration process are discarded to fit a linear narrative; and an Engineering Tax, where the gap between reviewer-sufficient prose and agent-sufficient specification leaves critical implementation details unwritten. Tolerable for human readers, these costs become critical when AI agents must understand, reproduce, and extend published work. We introduce the Agent-Native Research Artifact (Ara), a protocol that replaces the narrative paper with a machine-executable research package structured around four layers: scientific logic, executable code with full specifications, an exploration graph that preserves the failures compilation discards, and evidence grounding every claim in raw outputs. Three mechanisms support the ecosystem: a Live Research Manager that captures decisions and dead ends during ordinary development; an Ara Compiler that translates legacy PDFs and repos into Aras; and an Ara-native review system that automates objective checks so human reviewers can focus on significance, novelty, and taste. On PaperBench and RE-Bench, Ara raises question-answering accuracy from 72.4% to 93.7% and reproduction success from 57.4% to 64.4%. On RE-Bench's five open-ended extension tasks, preserved failure traces in Ara accelerate progress, but can also constrain a capable agent from stepping outside the prior-run box depending on the agent's capabilities.
Authors: Sun Woo Park, Yun Young Choi, U Jin Choi, Youngho Woo
Abstract: We provide a mathematical interpretation of convolutional (or message passing) neural networks by using presheaves and copresheaves of the set of continuous functions over a topological space. Based on this interpretation, we formulate a theoretical heuristic which elaborates a number of empirical limitations of these neural networks by using obstructions on such sets of continuous functions over a topological space to be sheaves or copresheaves.
Authors: Vasiliy S. Usatyuk, Denis A. Sapozhnikov, Sergey I. Egorov
Abstract: We propose Noise-Based Spectral Embedding (NBSE), a physics-informed framework for selecting informative features from high-dimensional data without greedy search. NBSE constructs a sparse similarity graph on the samples and identifies the Nishimori temperature $\beta_N$ the critical inverse temperature at which the Bethe Hessian becomes singular. The corresponding smallest eigenvector captures the dominant mode of an intrinsically degree-corrected diffusion process, naturally reweighting nodes to prevent hub dominance. By transposing the data matrix and applying NBSE in feature space, we obtain a one-dimensional spectral embedding that reveals groups of redundant or semantically related dimensions; balanced binning then selects one representative per group. We prove that coloured Gaussian perturbations shift $\beta_N$ by at most $O(\bar\sigma^2)$, guaranteeing robustness to measurement noise. Experiments on ImageNet embeddings from MobileNetV2 and EfficientNet-B4 show that NBSE preserves classification accuracy even under aggressive compression: on EfficientNet-B4 the accuracy drop is below $1\%$ when retaining only $30\%$ of features, outperforming ANOVA $F$-test and random selection by up to $6.8\%$.
Authors: Hailing Cheng, Tao Huang, Chen Zhu, Antonio Alonso
Abstract: Training large neural networks with data-parallel stochastic gradient descent allocates N GPU replicas to compute effectively identical updates -- a practice that leaves the rich space of learning rate configurations entirely unexplored during training. We propose Hyperparameter-Divergent Ensemble Training (HDET), a method that repurposes these replicas for simultaneous learning rate exploration at negligible communication overhead. HDET operates in alternating phases: a fan-out stage in which replicas train independently under a structured, symmetric spread of learning rates, and a converge stage in which parameters are averaged across all replicas via AllReduce every T steps. Building on this ensemble substrate, we further propose an automatic learning rate (auto-LR) controller that treats the relative training loss across replicas as a performance signal, updating the shared base schedule toward higher-performing configurations via a momentum-based gradient-free meta-update. The combined method produces a self-adapting learning rate schedule that improves both optimization quality and generalization without additional hyperparameter sweeps or training budget. Crucially, the framework generalizes beyond learning rate: any scalar hyperparameter that does not alter model architecture -- such as dropout rate, attention scale temperature, or weight-decay coefficient -- can be explored across replicas using the same fan-out/converge protocol, with inter-replica loss differences serving as zero-order hypergradients that guide the search direction. HDET is implemented as a drop-in replacement for PyTorch's OneCycleLR scheduler, requiring no changes to model architecture, optimizer, or data pipeline.
Authors: Zijian Guo, \.Ilker I\c{s}{\i}k, H. M. Sabbir Ahmad, Wenchao Li
Abstract: Specification-guided reinforcement learning (RL) provides a principled framework for encoding complex, temporally extended tasks using formal specifications such as linear temporal logic (LTL). While recent methods have shown promising results, their ability to generalize across unseen specifications and diverse environments remains insufficiently understood. In this work, we introduce SpecRLBench, a benchmark designed to evaluate the generalization capabilities of LTL-based specification-guided RL methods. The benchmark spans multiple difficulty levels across navigation and manipulation domains, incorporating both static and dynamic environments, diverse robot dynamics, and varied observation modalities. Through extensive empirical evaluation, we characterize the strengths and limitations of existing approaches and reveal the challenges that emerge as specification and environment complexity increase. SpecRLBench provides a structured platform for systematic comparison and supports the development of more generalizable specification-guided RL methods. Code is available at https://github.com/BU-DEPEND-Lab/SpecRLBench.
Authors: Nirmit Joshi, Roey Magen, Nathan Srebro, Nikolaos Tsilivis, Gal Vardi
Abstract: We study learning with Chain-of-Thought (CoT) supervision from multiple thinkers, all of whom provide correct but possibly systematically different solutions, e.g., step-by-step solutions to math problems written by different thinkers, or step-by-step execution traces of different programs solving the same problem. We consider classes that are computationally easy to learn using CoT supervision from a single thinker, but hard to learn with only end-result supervision, i.e., without CoT (Joshi et al. 2025). We establish that, under cryptographic assumptions, learning can be hard from CoT supervision provided by two or a few different thinkers, in passive data-collection settings. On the other hand, we provide a generic computationally efficient active learning algorithm that learns with a small amount of CoT data per thinker that is completely independent of the target accuracy $\varepsilon$, a moderate number of thinkers that scales as $\log \frac{1}{\varepsilon}\log \log \frac{1}{\varepsilon}$, and sufficient passive end-result data that scales as $\frac{1}{\varepsilon}\cdot poly\log\frac{1}{\varepsilon}$.
Authors: Zhangyong Liang
Abstract: In this paper, we propose a harmonized rotational gradient method, termed HRGrad, for simultaneously tackling multiscale time-dependent kinetic problems with varying small parameters. These parameters exhibit asymptotic transitions from microscopic to macroscopic physics, making it a challenging multi-task problem to solve over all ranges simultaneously. Solving tasks in different asymptotic regions often encounter gradient conflicts, which can lead to the failure of multi-task learning. To address this challenge, we explicitly encode a hidden representation of these parameters, ensuring that the corresponding solving tasks are serialized for simultaneous training. Furthermore, to mitigate gradient conflicts, we segment the prediction results to construct task losses and introduce a novel gradient alignment metric to ensure a positive dot product between the final update and each loss-specific gradient. This metric maintains consistent optimization rates for all task losses and dynamically adjusts gradient magnitudes based on conflict levels. Moreover, we provide a mathematical proof demonstrating the convergence of the HRGrad method, which is evaluated across a range of challenging asymptotic-preserving neural networks (APNNs) scenarios. We conduct an extensive set of experiments encompassing the Bhatnagar-Gross-Krook (BGK) equation and the linear transport equation in all ranges of Knudsen number. Our results indicate that HRGrad effectively overcomes the `failure modes' of APNNs in these problems.
Authors: Chirag Pabbaraju
Abstract: While the optimal sample complexity of binary classification in terms of the VC dimension is well-established, determining the optimal sample complexity of multiclass classification has remained open. The appropriate complexity parameter for multiclass classification is the DS dimension, and despite significant efforts, a gap of $\sqrt{\text{DS}}$ has persisted between the upper and lower bounds on sample complexity. Recent work by Hanneke et al. (2026) shows a novel algebraic characterization of multiclass hypothesis classes in terms of their DS dimension. Building up on this, we show that the maximum hypergraph density of any multiclass hypothesis class is upper-bounded by its DS dimension. This proves a longstanding conjecture of Daniely and Shalev-Shwartz (2014). As a consequence, we determine the optimal dependence of the sample complexity on the DS dimension for multiclass as well as list learning.
Authors: Gopal P. Sarma, Sunny D. Bhatt, Michael Jacob, Rachel Steratore
Abstract: In this report, we review the current state of methodologies to forecast the arrival of artificial general intelligence, assess their reliability, and analyze the implications for strategy and policy. We synthesize diverse forecasting approaches, document significant limitations in existing methods, and propose a research agenda for developing more-robust forecasting infrastructure. The report does not endorse a specific forecast or scenario but rather provides a framework for interpreting forecasts under conditions of deep uncertainty. We experimented with an iterative approach to human and artificial intelligence collaboration for this report. The primary drafting of the text was performed by large language models (GPT 5.1, Gemini 3 Pro, and Claude 4.5 Opus), with human researchers providing direction, peer review, fact-checking, and revision.
Authors: Jaros{\l}aw Hryszko
Abstract: Language models cannot be random. This paper introduces Entropic Deviation (ED), the normalised KL divergence between a model's token distribution and the uniform distribution, and measures it systematically across 31,200 generations spanning seven models, two architectures (transformer and state space), nine prompt categories, three temperatures, and five languages. Under semantically neutral prompts (empty strings, random characters, nonsense syllables) transformers still exhibit ED of approximately 0.30, meaning that 88-93% of the non-randomness observed under semantic prompts is intrinsic to the learned weights rather than induced by context. Three transformer families (Gemma, Llama, Qwen) converge on nearly identical ED values despite different training data and vocabularies. A state space model (Mamba2) reveals a qualitatively different regime: twice the ED, three times lower within-sequence variance, and massive sensitivity to temperature (r = -0.78) where transformers are nearly immune (r < 0.05). Cross-lingual experiments with Qwen-32B show a stable gradient across five languages (English, Japanese, Chinese, Polish, Arabic) that does not correlate with token fertility and persists when two languages sharing an identical tokeniser subset are compared. These findings establish a structural lower bound on randomness in pretrained language models, characterise how this bound differs across architectures, and demonstrate that language itself modulates the bound independently of tokenisation.
Authors: Jin Seong, Wencke Liermann, Minho Kim, Jong-hun Shin, Soojong Lim
Abstract: Accurate transcription of handwritten mathematics is crucial for educational AI systems, yet current benchmarks fail to evaluate this capability properly. Most prior studies focus on single-line expressions and rely on lexical metrics such as BLEU, which fail to assess the semantic reasoning across multi-line student solutions. In this paper, we present the first systematic study of multi-line handwritten math Optical Character Recognition (OCR), revealing a critical failure mode of Vision-Language Models (VLMs): over-correction. Instead of faithfully transcribing a student's work, these models often "fix" errors, thereby hiding the very mistakes an educational assessment aims to detect. To address this, we propose PINK (Penalized INK-based score), a semantic evaluation metric that leverages a Large Language Model (LLM) for rubric-based grading and explicitly penalizes over-correction. Our comprehensive evaluation of 15 state-of-the-art VLMs on the FERMAT dataset reveals substantial ranking reversals compared to BLEU: models like GPT-4o are heavily penalized for aggressive over-correction, whereas Gemini 2.5 Flash emerges as the most faithful transcriber. Furthermore, human expert studies show that PINK aligns significantly better with human judgment (55.0% preference over BLEU's 39.5%), providing a more reliable evaluation framework for handwritten math OCR in educational settings.
Authors: Jakub Radzikowski, Josef Chen
Abstract: A chef's intuition about flavor, texture, and cultural identity represents tacit knowledge that is difficult to articulate yet central to culinary practice. We show that this knowledge is already encoded in FlavorGraph's 300-dimensional ingredient embeddings, trained on recipe cooccurrence and food chemistry, and that it can be systematically recovered. An LLM-augmented curation pipeline consolidates 6,653 raw FlavorGraph ingredients into 1,032 canonical entries, substantially strengthening the recoverable structure. We identify at least fifteen independently classifiable dimensions spanning taste, texture, geography, food processing, and culture.
Authors: Zhihuan Wei, Yang Hu, Xinhang Chen, Yiming Zhang, Jie Liu, Wei Wang
Abstract: Fault diagnosis of general aviation aircraft faces challenges including scarce real fault data, diverse fault types, and weak fault signatures. This paper proposes an intelligent fault diagnosis framework based on multi-fidelity digital twin, integrating four modules: high-fidelity flight dynamics simulation, FMEA-driven fault injection, multi-fidelity residual feature extraction, and large language model (LLM)-enhanced interpretable report generation. A digital twin is constructed using the JSBSim six-degree-of-freedom (6-DoF) flight dynamics engine, generating 23-channel engine health monitoring data via semi-empirical sensor synthesis equations. A three-layer fault injection engine based on failure mode and effects analysis (FMEA) models the physical causal propagation of 19 engine fault types. A multi-fidelity residual computation framework comprising paired-mirror residuals and GRU surrogate prediction residuals is proposed: the high-fidelity path obtains clean fault deviation signals using nominal mirror trajectories with identical initial conditions, while the low-fidelity path achieves online real-time residual computation through a multi-step prediction GRU surrogate model. A 1D-CNN classifier performs end-to-end diagnosis of 20 fault classes. An LLM diagnostic report engine enhanced with FMEA knowledge fuses classification results, residual evidence, and domain causal knowledge to generate interpretable natural language reports. Experiments show the paired-mirror residual scheme achieves a Macro-F1 of 96.2% on the 20-class task, while the GRU surrogate scheme achieves 4.3x inference acceleration at only 0.6% performance cost. Comparison across 24 schemes reveals that residual feature quality contributes approximately 5x more to diagnostic performance than classifier architecture, establishing the "residual quality first" design principle.
Authors: Zexing Zhang, Huimin Lu, Songzhe Ma, Jianzhong Peng, Chenglin Lin, Niya Li, Bingwang Dong
Abstract: Aligning physiological parameter labels with large-scale photoplethysmographic (PPG) data for deep learning is challenging and resource-intensive. While self-supervised representation learning (SSRL) can handle limited annotated data, the challenge lies in learning robust shared representations from vast unlabeled data and integrating contextual cues to learn distinctive representations. To alleviate these challenges, a generative SSRL framework TS2TC is proposed to utilize the temporal, spectrogram, and temporal-spectrogram mixed domains to explore and incorporate the unique features of PPG for universal and noninvasive physiological parameter estimation. A pretext task named Cross-Temporal Fusion Generative Anchor (CTFGA) is designed, modeling temporal dependencies and reconstructing independent segments at a coarse level to provide robust global feature extraction and local contextual representation. The framework includes sub-signals from PPG with diverse frequency scales and order derivatives reflecting hemodynamics to facilitate learning shared representations at varying semantic levels. Secondly, a cognitive-inspired dual-process transfer (DPT) strategy is formulated, consisting of prior-dependent autonomous processes and posterior observation reasoning processes, to leverage the independent and integrated advantages of shared and specific representations. TS2TC introduces a bilinear temporal-spectrogram fusion method in the mixed domain, aligning latent representations from different domains and establishing fine-grained contextual interactions across multiple sources of information. Extensive experiments on physiological parameter estimation tasks showed that the joint performance of CTFGA and DPT outperforms standard generative learning significantly. TS2TC achieved an average 2.49\% improvement in RMSE over state-of-the-art estimation methods with only 10\% training data.
Authors: Phongsakon Mark Konrad, Casper Kunstmann-Olsen, Jacek Fiutowski, Serkan Ayvaz
Abstract: Post-harvest fruit quality assessment is essential for reducing food waste, yet reliable non-destructive methods typically depend on expensive hyperspectral cameras and computationally intensive deep learning models. These systems typically require GPU resources, large-scale training data, and domain expertise, limiting their feasibility for many real-world agricultural settings. This study systematically evaluates 20 classical machine learning algorithms on hyperspectral imaging data for simultaneous ripeness classification and firmness prediction across five fruit species, using cross-validated experimental design with Bayesian hyperparameter optimization. Data preprocessing strategy, particularly class balancing and spectral transformations, contributes as much to prediction accuracy as algorithm choice. Our results show that tree-based machine learning models can outperform state-of-the-art deep earning models reported in Fruit-HSNet. Moreover, the findings indicate that only three visible-range wavelengths are needed to recover over 94% of full-spectrum accuracy, demonstrating that low-cost multispectral sensors combined with lightweight machine learning models can serve as practical alternatives to expensive hyperspectral cameras and complex deep learning approaches for practical fruit quality sorting.
Authors: Mehmet Parlak, Islam Guven
Abstract: Conventional microwave engineering education relies heavily on analytical methods, canonical circuit topologies, and intuition-driven design, which have proven effective at microwave frequencies. However, as systems increasingly operate in the millimeter-wave and terahertz regimes, parasitic effects, process-dependent electromagnetic interactions, and ultra-wideband performance requirements challenge both topology/layout-constrained traditional design methodologies and existing teaching paradigms. This paper proposes a pedagogical shift in microwave and RFIC (Radio Frequency Integrated Circuit) engineering and education by introducing machine-learning (ML) and data-driven electromagnetic synthesis as a complementary design framework for microwave circuits such as power dividers and combiners, couplers, and baluns. Rather than emphasizing predefined topologies, the proposed approach enables topology-agnostic, performance-oriented exploration of the design space, allowing students to directly engage with electromagnetic behavior through specification-driven synthesis. By integrating machine-learning-based inverse design and multi-objective optimization into the curriculum, the framework enhances physical intuition, encourages design creativity, and better aligns microwave education with emerging industrial practices in high-frequency and ultra-wideband system design.
Authors: Marcus Binder Nilsen, Julian Quick, Tuhfe G\"o\c{c}men, Nikolay Dimitrov, Pierre-Elouan R\'ethor\'e
Abstract: Reinforcement learning (RL) offers a promising approach for adaptive wind farm flow control, yet its practical deployment is hindered by slow training convergence and poor initial performance, factors that could translate to years of reduced power output if an untrained agent were deployed directly. This work investigates whether domain knowledge from steady-state wake models can accelerate RL training and improve initial controller performance. We propose a pretraining methodology in which expert demonstrations are generated by deploying a PyWake-based steady-state optimizer within a dynamic wake simulation (WindGym), then used to initialize both the actor and critic networks of a Soft Actor-Critic agent via behavior cloning. Experiments on a 2x2 wind farm show that pretraining eliminates the costly initial learning phase: while an untrained agent underperforms the greedy zero-yaw baseline by approximately 12%, pretraining raises initial performance to near-baseline levels. During online fine-tuning, all configurations converge within 250,000 environment steps to achieve similar performance, ultimately exceeding that of a lookup-table controller, which reaches approximately 7% power gain after 500,000 steps.
Authors: Teodor {\AA}strand, Marcus Binder Nilsen, Iasonas Tsaklis, Tuhfe G\"o\c{c}men, Pierre-Elouan R\'ethor\'e, Nikolay Dimitrov
Abstract: This study presents a multi-agent reinforcement learning (MARL) framework for load-constrained wind farm flow control (WFFC). While wake steering can enhance total wind farm power, it often introduces increased structural loads on downstream turbines. To address this, we integrate an Independent Soft Actor-Critic (I-SAC) architecture with a data-driven, local inflow sector-averaged surrogate model to provide real-time estimates of Damage Equivalent Loads (DELs). By incorporating these estimates into a shaped reward function, turbine-specific agents are trained to maximize power production while adhering to specific load-increase thresholds ($\Delta_{max}$) of 10%, 20%, and 30% relative to a baseline controller. The framework is implemented within the WindGym environment using the DYNAMIKS flow solver with Dynamic Wake Meandering (DWM) model to capture non-stationary wake physics. Results indicate that the MARL agents successfully learn collaborative policies that prioritise power gain while actively retreating from high-DEL control strategies.
Authors: Marcus Binder Nilsen, Teodor Olof Benedict {\AA}strand, Tuhfe G\"o\c{c}men, Pierre-Elouan R\'ethor\'e
Abstract: Wind farm wake steering optimization is challenging due to complex flow physics and changing conditions. This paper presents a hierarchical framework that combines reinforcement learning with model predictive control, where an RL agent learns compensatory state estimates for an MPC controller, rather than directly controlling turbines. Evaluated on a three-turbine case, the approach achieves a 23\% power gain over the baseline control and surpasses the idealized MPC with perfect state knowledge. Compared to direct RL control, the hybrid architecture maintains superior safety characteristics during training while achieving comparable performance with more stable control actions.
Authors: Alexis Lazanas, Spyros Christodoulou, Spyridon Karpouzis
Abstract: It is a challenging task to forecast equity prices in fast moving financial markets as this becomes even more difficult when the predictive signal is based on non-homogeneous information channels. The classical statistical methods, especially the Autoregressive Integrated Moving Average (ARIMA) models, limit their analytical ability with the linear assumptions that prevent the modeling of complex temporal dynamics. In contrast, complex neural networks, including Long Short-Term Memory (LSTM) networks, are also skilled at capturing sequential interaction effects; they however tend to collapse in the face of abrupt shifts in volatility and changing distributions. In this paper we introduce a context-sensitive adversarial learning model to predict equity prices in this work, which is synthesized distribution-based generative modelling with sentiment-based auxiliary information obtained through Natural Language Processing (NLP). The architecture uses adversarial training to model future price movements and incorporates contextual sentiment features derived using financial textual data. Through a collective utilization of quantitative market indicators along with the additional contextual cues, the framework hopes to enhance the reliability of forecasts during the periods of increased volatility and regime change. Empirical evaluation of a sample of U.S. equities testifies that the presented approach outperforms the traditional ARIMA and LSTM baselines in a range of measures of error. These findings imply that context-sensitive adversarial paradigm is an effective instrument of enhancing stock price prediction effectiveness in complex financial environments characterized by uncertainty and structural changes.
Authors: Kaito Ito, Anqi Dong
Abstract: Optimal transport with quadratic cost provides a geometric framework for steering an ensemble, modeled by a probability law, with minimal effort. Yet ambient-space formulations become unwieldy in high dimensions, and sensing or actuation in practice often reveals only linear views of the state -- camera silhouettes, LiDAR beams, tomographic slices. We develop a sliced feedback controller for distribution steering: the evolving law is projected onto one-dimensional directions on the sphere, the optimal one-dimensional velocity is synthesized in each projection, and these velocities are averaged to produce a feedback control in the ambient space. The construction reduces to the Benamou--Brenier problem in one dimension. In addition, it is invariant under orthogonal transforms, nonexpansive under projections, and well posed on $\mathcal{P}_2(\mathbb{R}^n)$. Computation proceeds by sampling directions on the sphere and solving independent one-dimensional subproblems, yielding a scalable method aligned with partial observations. In the Gaussian setting, we show that the developed sliced controller steers the law to the prescribed target. Furthermore, we derive an identity relating the energy consumption incurred by the controller to the sliced Wasserstein distance.
Authors: Jakob Schwerter, Loreen Sabel, Judith Bose, Matthew L. Bernacki, Di Xu, Marko Schmellenkamp, Thomas Zeume, Philipp Doebler
Abstract: STEM dropout rates remain high at universities, particularly in computer science programs with theory-intensive courses. Digital learning environments now capture rich behavioral data that could help identify struggling students early, yet the generalizability of data-driven prediction models across courses and institutions remains uncertain. Guided by self-regulated learning (SRL) theory, this study analyzed multimodal digital-trace data from three undergraduate theoretical computer science courses (N1 = 137, N2 = 104, N3 = 148) at two universities. Weekly SRL-aligned digital-trace indicators were modeled using Elastic Net, Random Forest, and XGBoost to evaluate predictive performance over time and across settings, and model calibration both within and across courses. Early prediction of at-risk students was feasible, with SRL-related behaviors such as time management, effort regulation, and sustained engagement emerging as key predictors. While Random Forest achieved the highest in-sample accuracy, Elastic Net generalized more robustly across contexts. Out-of-sample accuracy and calibration declined between institutions with different base rates, underscoring the contextual nature of predictive analytics in higher education. These findings suggest that digital learning traces enable early identification of at-risk students within courses, but generalizing predictive models beyond their original context requires caution, particularly if the at-risk rates differ between contexts.
Authors: Rahul Jain, Pierre Trepagnier, Rick Gentile, Joey Botero, Alexia Schulz
Abstract: AI-enhanced interference rejection in radio frequency (RF) transmissions has recently attracted interest because deep learning approaches trained on both the signal of interest (SOI) and the signal mixture (SOI plus interference) can outperform traditional approaches which only consider the SOI. The goal is to detect, demodulate, and decode signals over a range of signal-to-interference-plus-noise (SINR) levels without having a detailed, design-level knowledge of the interfering signal or the propagation conditions. Our present AI interference suppression results are based on Autoregressive Transformer Decoder models which exhibit orders of magnitude faster throughput at inference time than WaveNet models developed in earlier work. As a specific example, we investigate an analog FM "Walkie Talkie" radio signal of interest in the presence of an Orthogonal Frequency-Division Multiplexing (OFDM) interferer. This type of interferer is near-ubiquitous in the current RF landscape. Our results clearly show the benefits of transformer-based interference mitigation in tactical settings. We show that unintelligible transmissions become intelligible via metrics such as Perceptual Evaluation of Speech Quality (PESQ), while overall latency is kept to a minimum using readily available lightweight GPUs such as a Jetson AGX Orin. We believe these same techniques can also be applied to a broader set of national security scenarios, as well as having commercial applications.
Authors: Xulin Fan, Vishal Sunder, Samuel Thomas, Mark Hasegawa-Johnson, Brian Kingsbury, George Saon
Abstract: Recent advances in speech-aware language models have coupled strong acoustic encoders with large language models, enabling systems that move beyond transcription to produce richer outputs. Among these, word-level timestamp prediction is critical for applications such as captioning, media search, and multimodal synchronization, yet it is often handled by external alignment tools. In this work, we extend an existing speech-aware language model to predict timestamps directly alongside transcripts. We introduce a set of novel lightweight training strategies that improve alignment robustness while preserving recognition quality. Experiments across multiple datasets show that these strategies not only enhance timestamp accuracy, but also yield gains in overall ASR performance. Together, they demonstrate an efficient and unified approach to speech recognition with precise timestamp prediction.
Authors: Yimeng Qiu, Qiwei Han
Abstract: This paper investigates how similarity in the informational representation of market states among Artificial Intelligence (AI) trading agents can generate systemic instability in financial markets. We construct a structural multi-agent market model calibrated using high-frequency microstructural moments. AI agents are modeled through a two-layer decision architecture consisting of a nonlinear representation layer and an adaptive linear readout layer. The representation layer maps raw market states into high-dimensional feature vectors, while the readout layer generates return forecasts that feed into a risk-controlled trading rule. This representation-based microfoundation separates two objects that are often conflated in the literature: representation homogeneity (the degree to which agents encode market states into similar feature spaces) and forecast overlap (the degree to which agents produce similar return predictions). We show theoretically that these two concepts are related but not equivalent, and that representation homogeneity can compress the effective space of forecast disagreement under stress even when predictions appear diverse in normal times. Through controlled factorial experiments that vary representation homogeneity while conditioning on alternative risk-aversion and learning-rate distributions, we hypothesize that increasing representation similarity amplifies synchronization in beliefs and positions, leading to volatility clustering, liquidity stress, and elevated tail risk. Our structural mechanisms suggest that low perceived volatility regimes can endogenously accumulate hidden leverage through position stickiness, which subsequently collapses when shocks trigger synchronized deleveraging. The results provide a structural foundation for macroprudential policies aimed at monitoring and preserving diversity in how AI systems represent and process market information.
Authors: Ramit Pahwa, Apoorva Beedu, Parivesh Priye, Rutu Gandhi, Saloni Takawale, Aruna Baijal, Zengli Yang
Abstract: Voice assistants increasingly rely on Speech Language Models (SpeechLMs) to interpret spoken queries and execute complex tasks, yet existing benchmarks lack domain breadth, acoustic diversity, and compositional reasoning complexity to evaluate tool-calling performance. We introduce Audio2Tool, a large-scale dataset comprising approximately 30,000 queries designed to assess tool-calling capabilities of SpeechLMs across three primary domains: Smart Car, Smart Home, and Wearables. Our benchmark features a multi-tier complexity hierarchy, ranging from simple direct commands to complex multi-intent and needle-in-a-haystack extraction to isolate distinct failure modes. To ensure realism, we employ zero-shot voice cloning text-to-speech synthesis and diverse noise profiles to simulate in-the-wild conditions. Evaluations of state-of-the-art SpeechLMs and ASR-LLM pipelines show strong performance on simple commands but significant degradation under compositional and acoustic challenges. Code and dataset are publicly available on the project page: https://audio2tool.github.io/.
Authors: Bayangmbe Mounmo, Sam Chien, Mile Mitrovic
Abstract: Industrial CAD workflows require robust, generalizable 3D geometric representations supporting accuracy and explainability. We introduce Shape, a self-supervised foundation model converting surface meshes into dense per-token embeddings. Shape combines a structured 3D latent grid, a multi-scale geometry-aware tokenizer (MAGNO) with cross-attention, and a transformer processor using grouped-query attention and RMSNorm. A learned reconstruction prior enables per-region attribution for explainable predictions. Pretraining uses masked-token reconstruction of normalized geometry statistics and multi-resolution contrastive consistency. The 10.9M-parameter backbone is pretrained on 61,052 CAD meshes from Thingi10K, MFCAD, and Fusion360. On a held-out split of 2,983 meshes, Shape achieves reconstruction R2 = 0.729 and 98.1% top-1 retrieval under the Wang-Isola protocol, with near-zero reconstruction train/val gap (contrastive scores use a larger evaluation pool). A 2x2 ablation on loss type and target-space normalization shows per-dimension normalization is critical: without it, performance collapses (R2 < 0.14, top-1 < 88%); with it, both losses succeed (R2 > 0.70, top-1 > 96%). Smooth-L1 offers secondary stability. Code, embeddings, and an interactive demo are released at https://github.com/simd-ai/shape.
Authors: Rongxiao Guo, Qingchao Chen
Abstract: Millimeter-wave (mmWave) radar has shown great potential for contactless, privacy-preserving, and robust human sensing, yet existing mmWave-based human mesh reconstruction (HMR) studies are still limited by the lack of benchmarks for generalization analysis under configuration shifts and fair comparison of different algorithms. To address the limitation, we present DGHMesh, a large-scale dual-radar mmWave dataset and generalization-focused benchmark for HMR. It contains data from 15 subjects performing 8 actions, with 360,000 synchronized frames collected from FMCW radar, SFCW radar, RGB images, and high-precision 3D HMR annotations. In addition, the dataset provides synchronized raw I/Q data from both radar modalities and accurately calibrated radar spatial positions. The benchmark is designed to evaluate HMR methods under diverse measurement configurations, including human position shifts, human orientation shifts, subarray size variations, and cross-subject settings. Based on DGHMesh, we also propose mmPTM, a query-based multi-radar fusion framework that jointly exploits point clouds and imaging tubes for HMR. Extensive experiments are conducted against representative baselines under different settings. The results demonstrate that mmPTM consistently achieves outstanding accuracy and competitive generalization capability across multiple sub-benchmarks, validating the effectiveness of multi-radar fusion and the practical value of the proposed dataset and benchmark for mmWave-based HMR research. DGHMesh and mmPTM are publicly available at https://github.com/SPIresearch/DGHMesh.(The complete benchmark and code will be released after paper publication)
Authors: Liyao Jiang, Ruichen Chen, Keith G. Mills
Abstract: Pre-training is a general method that is used in a range of deep learning tasks. By first training a model on one task, and then further training on the downstream task used for final evaluation, the model is forced to learn a more general understanding of the input data. While pre-training has been applied to 3D Human Pose Estimation (HPE) previously, the scope of datasets used is typically very limited to some strong benchmarks, like Human3.6M. Therefore, in this project, we expand the scope of an existing 3D HPE scheme to be compatible with additional 2D and 3D HPE datasets, like Occlusion Person. We perform an extensive study on how aspects of 2D pre-training, such as model size, affect downstream performance, and to what extent pre-training can help the model generalize to different datasets. Experimental results show that 2D pre-training consistently outperforms training on 3D data alone, particularly in terms of computational efficiency. Finally, using MPII and Human3.6M, we are able to obtain an MPJPE score of under 64.5mm.
Authors: Jiayuan Chen, Ruoqi Liu, Zishan Gu, Ping Zhang
Abstract: Microscopy-based phenotypic profiling is scalable for drug discovery but lacks the mechanistic depth of transcriptomics, which remains costly and scarce. Existing multimodal approaches either use images to support other modalities or naively align representations by sample identity, ignoring cell-type and dose variations in weakly paired data-limiting generalization to unseen interventions. In this paper, we introduce an intervention-aware distillation framework that leverages perturbational transcriptomics to guide image representation learning. A transcriptome-conditioned teacher integrates gene expression and intervention metadata to produce soft distributions over a chemistry-aware codebook organized by drug similarity. The teacher employs a fine-tuned single-cell foundation model to encode cell-type context and disentangle dose effects. An image-only student learns to predict these distributions from microscopy alone, distilling mechanistic knowledge while operating independently at test time. This design emphasizes intervention semantics rather than identity alignment and explicitly handles dose and cell-type mismatches. We provide theoretical guarantees showing that transcriptomic guidance tightens the risk bound for image-based prediction. On Cell Painting and RxRx datasets paired with L1000, our method significantly improves one-shot transfer to unseen interventions and drug-target gene discovery compared to self-supervised and alignment baselines.
Authors: Jeremy Ellis
Abstract: This paper presents webmcu-vision-web, a single-file, zero-install browser application for end-to-end TinyML vision model training and deployment on the Seeed Studio XIAO ESP32-S3 Sense (XIAO ML Kit, $15--40 USD). Acting as a browser-based companion to the on-device Arduino firmware of Paper 1 [1], it provides a private, fully local machine learning pipeline, from firmware flashing through image collection, CNN training, weight export, and live activation visualization, without any software installation beyond a Chromium-based browser. The system targets educators, small businesses, and researchers who need to train task-specific visual classifiers under their exact deployment conditions. Key capabilities include: in-browser firmware flashing via esptool-js; an SD card file browser with image preview and inline editing; config.json live-sync for zero-recompile hyperparameter adjustment; webcam and ESP32 OV2640 camera image capture; TensorFlow.js CNN training completing a three-class run (~30 images per class, 20 epochs) in approximately 1 minute browser-side versus 9 minutes on-device, enabling a complete collect-train-deploy cycle in under 10 minutes; weight export as myWeights.bin and myWeights.h; confusion matrix; and a live Conv2 activation heatmap streamed from the ESP32 during inference. No data leaves the local machine at any stage. A five-run consistency evaluation on the three-class reference problem (0Blank, 1Cup, 2Pen) demonstrates stable convergence with mean accuracy and standard deviation reported; all artefacts are released at the repository link below. The repository is a living template for LLM-assisted adaptation to new hardware and tasks. All source code is MIT-licensed at https://github.com/webmcu-ai/webmcu-vision-web.
Authors: Serkan Hamdi G\"u\u{g}\"ul, Kemal Levi, Burak Acar
Abstract: Industrial visual inspection systems often suffer from a severe scarcity of labeled defect data, particularly during the early stages of New Product Introduction (NPI). This limitation hinders the deployment of robust supervised detectors precisely when automated quality control is most needed. We present an end-to-end generative framework for high-fidelity, few-shot defect synthesis that enables both in-domain augmentation and cross-domain transfer. Our approach disentangles defect morphology from background appearance by combining masked textual inversion for defect representation learning, noise-blended conditioned generation for surface-aware synthesis, and gradient-aware post-processing for seamless visual integration. We evaluate the framework in two practically relevant settings: few-shot data augmentation, where synthetic samples enrich a small set of real defects, and zero-shot adaptation, where defects learned from a source domain are transferred to a novel target surface without any real target-domain defect examples. Using RF-DETR as the downstream detector, we show that the proposed pipeline substantially narrows the domain gap on a private industrial dataset. In the few-shot setting, synthetic augmentation improves mAP from 78.8% to 83.3%. In the zero-shot setting, synthetic domain adaptation improves mAP from 65.0% to 85.1%. These results demonstrate that high-fidelity defect synthesis can meaningfully accelerate NPI by enabling effective inspection models before sufficient real defect data has been collected.
Authors: Chao Pan, Xin Yao
Abstract: Fast Adversarial Training (FastAT) seeks to achieve adversarial robustness at a fraction of the computational cost incurred by standard multi-step methods such as PGD-AT. Although numerous FastAT techniques have been proposed in recent years, fair comparison among them remains elusive. Existing benchmarks and public leaderboards typically permit diverse model architectures, varying training configurations, and external data sources, making it unclear whether reported improvements reflect genuine algorithmic advances or merely more favorable experimental conditions. To address this problem, we introduce the FastAT Benchmark, a controlled evaluation framework built on three core design principles: unified architecture requirements, standardized training settings, and strict prohibition of external or synthetic data. The benchmark implements over twenty representative FastAT methods within a single codebase, enabling direct and reproducible comparison. Each method is assessed through a dual-metric evaluation framework that measures both adversarial robustness (accuracy under PGD, AutoAttack, and CR Attack) and computational cost (GPU training time and peak memory footprint). Comprehensive experiments on CIFAR-10, CIFAR-100, and Tiny-ImageNet provide reliable baseline measurements and reveal that well-designed single-step methods can match or surpass PGD-AT robustness at substantially lower cost, while no single method dominates across all evaluation dimensions. The complete benchmark, including source code, configuration files, and experimental results, is publicly available to support transparent and fair evaluation of future FastAT research.
Authors: Fengbo Ma, Zixin Rao, Xiaoting Li, Zhetao Chen, Hongyue Sun, Yiping Zhao, Xianyan Chen, Zhen Xiang
Abstract: Scientific research relies on accurate information retrieval from literature to support analytical decisions. In this work, we introduce a new task, INformation reTRieval through literAture reVIEW (IntraView), which aims to automate fine-grained information retrieval faithfully grounded in the provided content in response to research-driven queries, and propose IntrAgent, an LLM-based agent that addresses this challenging task. In particular, IntrAgent is designed to mimic human behaviors when reading literature for information retrieval -- identifying relevant sections and then iteratively extracting key details to refine the retrieved information. It follows a two-stage pipeline: a Section Ranking stage that prioritizes relevant literature sections through structural-knowledge-enabled reasoning, and an Iterative Reading stage that continuously extracts details and synthesizes them into concise, contextually grounded answers. To support rigorous evaluation, we introduce IntraBench, a new benchmark consisting of 315 test instances built from expert-authored questions paired with literature spanning five STEM domains. Across seven backbone LLMs, IntrAgent achieves on average 13.2% higher cross-domain accuracy than state-of-the-art RAG and research-agent baselines.
Authors: Emine Akpinar, Murat Oduncuoglu
Abstract: GBM is a highly aggressive primary malignancy in adults, necessitating personalized therapeutic strategies due to its inherent molecular heterogeneity. MGMT promoter methylation is a pivotal prognostic biomarker for anticipating response to temozolomide-based chemotherapy. Although various AI frameworks have been developed for non-invasive MGMT prediction, spatial heterogeneity of methylation status and the high-dimensional and correlated nature of MRI data frequently constrain discriminative feature learning and generalizability of classical models. To circumvent these limitations, a specialized IA-QCNN architecture is proposed, based on the principles of quantum mechanics, including superposition and entanglement, and enabling more efficient representation learning in high-dimensional Hilbert space. The framework establishes a methodological bridge between GBM radiogenomics and quantum deep learning by integrating energy-based slice selection, importance-aware weighting, ring-topology quantum convolution, and folding-based pooling layers. When the model predicts MGMT promoter methylation status using both mpMRI and T1Gd images, experimental results demonstrate that the IA-QCNN achieves high accuracy despite its low number of trainable parameters while effectively minimizing the overfitting problem observed in classical models. Quantitative analyses reveal that the T1Gd modality possesses higher discriminative power than mpMRI, establishing a clinically significant sequence preference. Furthermore, the model exhibits exceptional robustness in hybrid noise environments, effectively utilizing noise as a regularization mechanism to enhance predictive performance. Consequently, the specialized IA-QCNN architecture provides a robust and computationally efficient alternative to classical approaches in the analysis of heterogeneous radiogenomic data.
Authors: Jie Wu, Ming Gong
Abstract: We identify and formalize a novel security risk: Context-Fragmented Violations (CFVs) - a class of policy breaches where individual agent actions appear locally safe and reasonable, yet collectively violate organizational policies because critical policy facts are siloed in different departments private contexts. Existing prompt-based alignment mechanisms and monolithic interceptors are poorly matched to violations that span contextual islands. We propose Distributed Sentinel, a distributed zero-trust enforcement architecture that introduces the Semantic Taint Token (STT) Protocol. Through lightweight sidecar proxies, our system propagates security state across organizational boundaries without exposing raw cross-domain data, enabling Counterfactual Graph Simulation for cross-domain policy verification. We construct PhantomEcosystem, a comprehensive benchmark comprising 9 categories of realistic cross-agent violation scenarios with adversarially balanced safe controls. On this benchmark, Distributed Sentinel achieves F1 = 0.95 with 106ms end-to-end latency (16ms verification + 90ms entity extraction on A100), compared to 0.85 F1 for prompt-based filtering and 0.65 for rule-based DLP. To empirically validate the need for external enforcement, we evaluate eight frontier LLMs in execution-oriented multi-agent workflows with per-agent domain world models. All models exhibit substantial violation rates (14-98%), with cross-domain data flows showing systematically higher violation rates than same-domain flows. These results indicate that self-avoidance is unreliable and that multi-agent security benefits from a centralized enforcement layer operating above individual agents.
Authors: Helge Ros\'e, Konstantin Klipp, Tom Koubek, Bernd Sch\"aufele, Ilja Radusch
Abstract: Indoor positioning is an essential technology for a wide range of applications in GNSS-denied environments, including indoor navigation and IoT systems. Combining convolutional neural networks (CNNs) and magnetic field-based features offers a low-cost, infrastructure-free solution for precise positioning. While magnetic fingerprints are a promising approach for indoor positioning, models trained on raw 3D magnetometer data are highly sensitive to device orientation. We address this by using two rotation invariant features derived from the 3D magnetic field: the norm (Mn) and the projection onto the gravity axis (Mg). We train a lightweight 7-layer dilated CNN (MagNetS/XL) on magnetic sequences to directly regress (x, y) positions. Using the MagPie dataset (three buildings, handheld trajectories), we systematically evaluate fixed and random rotations of test and/or train data. Raw 3D inputs (Mx, My , Mz) exhibit isotropic error increases under fixed 90{\deg} rotations and further degrade with growing random rotations. In contrast, 2D (Mn, Mg) inputs maintain rotation invariant accuracy and surpass the 3D inputs once rotation exceeds building-specific thresholds for three reference buildings: 0{\deg} for Loomis (large), 5{\deg} for Talbot (medium), and 6{\deg} for CSL (small). MagNetXL achieves or exceeds state-of-the-art accuracy on the MagPie dataset, and MagNetS delivers similar performance with roughly one third of the parameters, favoring mobile deployment. These results show that the robustness gained from rotation invariant inputs outweighs the loss of input dimensionality in realistic usage, allowing mapping and localization without orientation alignment or added infrastructure.
Authors: Pouya Pezeshkpour, Estevam Hruschka
Abstract: Verification is becoming central to both reinforcement-learning-based training and inference-time control of large language models (LLMs). Yet current verifiers face a fundamental trade-off: LLM-based verifiers are expressive but hard to control and prone to error, while deterministic executable verifiers are reliable and interpretable but often limited in capability. We study the following question: given a development set of LLM outputs and labels for a target objective, such as correctness, can we automatically induce a minimal set of Python verifiers whose joint satisfaction closely matches that objective? We propose AutoPyVerifier, a framework that uses an LLM to synthesize candidate verifier functions and then refines them through search over a directed acyclic graph (DAG). By navigating the DAG, AutoPyVerifier systematically explores the space of deterministic executable verifiers and selects a compact verifier set whose joint satisfaction best approximates the target objective. Across mathematical reasoning, coding, function calling, and instruction-following benchmarks for several state-of-the-art LLMs, AutoPyVerifier improves target-objective prediction by up to 55.0 F1 points over the initial LLM-generated verifier sets. Additional analyses show that the most useful verification targets vary by benchmark and model, and that the DAG-based search shifts the learned verifier sets toward more structural and semantically grounded checks. We further show that exposing the discovered verifier set to an LLM as an external tool improves downstream accuracy by up to 17.0 points. We release our code
Authors: Zhanzhao Li, Kengran Yang, Qiyao He, Kai Gong
Abstract: The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated extraction and structuring of materials data from unstructured scientific literature, using concrete materials as a representative and particularly challenging example. The pipeline exhibits robust performance across a broad range of LLMs and achieves an $F_1$ score of up to 0.97 for diverse composition--process--property attributes. Within one hour, it extracts nearly 9,000 high-quality records with over 100 attributes screened from more than 27,000 publications, enabling the construction of the largest open laboratory database for blended cement concrete. Machine learning analyses underscore the importance of large, diverse, and information-rich datasets for enhancing both in-distribution accuracy and out-of-distribution generalization to unseen materials. The proposed pipeline is readily adaptable to other materials domains and accelerates the development of scalable data infrastructures for materials informatics.
Authors: Nikoo Moradi, Gijs Luijten, Behrus Hinrichs-Puladi, Jens Kleesiek, Victor Alves, Jan Egger, Andr\'e Ferreira
Abstract: Diffusion models produce high-quality synthetic data but suffer from slow inference. We propose 3D Variable-Step Denoising Diffusion Probabilistic Model (VS-DDPM) a framework engineered to maintain generative quality while accelerating inference by several factors. We tested our approach on four tasks (missing MRI, tumor removal, MRI-to-sCT, and CBCT-to-sCT) within the BraTS2025 and SynthRAD2025 challenges. Designed for high efficiency under hardware and time constrains imposed by both challenges. VS-DDPM achieved state-of-the-art (SOTA) performance in missing MRI synthesis, yielding Dice scores of 0.80, 0.83, and 0.88 for the enhancing tumor, tumor core, and whole tumor regions, respectively, alongside a structural similarity index (SSIM) of 0.95. For MRI tumor removal, the model attained a root mean squared error (RMSE) of 0.053, a peak signal-to-noise ratio (PSNR) of 26.77, and an SSIM of 0.918. While the framework demonstrated competitive performance in MRI-to-sCT and CBCT-to-sCT tasks, it did not reach SOTA benchmarks, potentially due to sensitivities in data pre and post-processing pipelines or specific loss function configurations. These results demonstrate that VS-DDPM provides a robust and tunable solution for high-fidelity 3D medical image synthesis. The code is available in https://github.com/andre-fs-ferreira/SynthRAD_by_Faking_it.
URLs: https://github.com/andre-fs-ferreira/SynthRAD_by_Faking_it.
Authors: Zixuan Wang, Xingyu Dang, Jason D. Lee, Kaifeng Lyu
Abstract: Natural language data follows a power-law distribution, with most knowledge and skills appearing at very low frequency. While a common intuition suggests that reweighting or curating data towards a uniform distribution may help models better learn these long-tail skills, we find a counterintuitive result: across a wide range of compositional reasoning tasks, such as state tracking and multi-step arithmetic, training under power-law distributions consistently outperforms training under uniform distributions. To understand this advantage, we introduce a minimalist skill-composition task and show that learning under a power-law distribution provably requires significantly less training data. Our theoretical analysis reveals that power law sampling induces a beneficial asymmetry that improves the pathological loss landscape, which enables models to first acquire high-frequency skill compositions with low data complexity, which in turn serves as a stepping stone to efficiently learn rare long-tailed skills. Our results offer an alternative perspective on what constitutes an effective data distribution for training models.
Authors: Rahul Patel
Abstract: Anemia affects over one billion people globally and remains severely under-diagnosed in low-resource regions where laboratory blood tests are inaccessible. This paper presents AnemiaVision, an end-to-end web-based system for non-invasive anemia screening from smartphone photographs of the palpebral conjunctiva and fingernail beds. The proposed pipeline fine-tunes a pre-trained EfficientNet-B3 backbone with a redesigned three-layer classifier head incorporating BatchNorm, GELU activations, and high-rate Dropout (0.45/0.35). Training employs four orthogonal accuracy-boosting techniques: TrivialAugmentWide for policy-free image augmentation, RandomErasing for spatial regularisation, Mixup (alpha=0.2) for inter-class smoothing, and cosine-annealing scheduling with linear warmup. Early stopping is governed by peak validation accuracy rather than validation loss to prevent premature termination on high-variance epochs. The deployed Flask application integrates persistent patient-history management backed by PostgreSQL on Render, with an automated database-migration entrypoint ensuring zero data loss across redeploys. Ablation experiments demonstrate that accuracy-first early stopping contributes +1.6% and Mixup contributes +2.8% to final validation accuracy. Overall, the proposed system achieves a validation accuracy of 96.2% and AUC-ROC of 0.98, compared with 44.9% validation accuracy and AUC-ROC of 0.58 from the three-epoch CPU-only baseline. Sensitivity for the anemic class reaches 0.96, making the system suitable as a first-line screening tool for community health workers in rural settings. The system is publicly accessible and source code is openly available.
Authors: Wei-Ting Tang, Joel A. Paulson
Abstract: Trust Region Bayesian Optimization (TuRBO) is an effective strategy for alleviating the curse of dimensionality in high-dimensional black-box optimization. However, inappropriate lengthscale design can cause the local Gaussian process (GP) model within the trust region to degenerate, leading to suboptimal performance in high dimensions. In this work, we show that TuRBO's local GP may remain either excessively complex or overly simple as the dimension $D$ and trust region side length $L$ vary. To address this issue, we propose a straightforward variant, AdaScale-TuRBO, which scales the GP lengthscale with both the problem dimension and trust region size, thereby preserving kernel geometry and maintaining consistent prior complexity. Empirically, we show that AdaScale-TuRBO can robustly outperform standard TuRBO and other popular high-dimensional BO methods on synthetic benchmarks and real-world trajectory planning tasks.
Authors: Mohammad Sadegh Salehi, Alex Perkins, Igor Maurell, Ashkan Dabbagh, Raymond Wong
Abstract: Web-scale 3D asset collections are abundant, but rarely deployment-ready. Assets ship with arbitrary metric scale, incorrect pivots and forward axes, brittle geometry, and textures that do not support relighting, which limits their utility for embodied AI, robotics simulation, game development, and AR/VR. We present AmaraSpatial-10K, a dataset of over 10,000 synthetic 3D assets designed for downstream use rather than volume alone. Each asset is released as a metric-scaled, semantically anchored .glb with separated PBR material maps, a convex collision hull, a paired reference image, and rich multi-sentence text metadata. The dataset spans indoor objects, vehicles, architecture, creatures, and props under a unified spatial convention. Alongside the dataset, we introduce an evaluation suite for 3D asset banks. The suite comprises a continuous Scale Plausibility Score (SPS) with an LLM-as-Judge interval protocol, an LLM Concept Density score for metadata, an anchor-error metric, and a cross-modal CLIP coherence protocol, and we use it to audit AmaraSpatial-10K alongside matched subsets from Objaverse, HSSD, ABO, and GSO. Compared with Objaverse-sourced assets, we demonstrate that AmaraSpatial-10K substantially improves text-based retrieval precision (CLIP Recall@5 of 0.612 vs 0.181, a 3.4x improvement with median rank falling from 267 to 3), and we establish that it satisfies the spatial and semantic prerequisites for physics-aware scene composition and embodied-AI asset banks, leaving those downstream evaluations to future work. AmaraSpatial-10K is publicly available on Hugging Face.
Authors: Sulagna Saha, Arthur Ouaknine, Etienne Lalibert\'e, Carol Altimas, Evan M. Gora, Adriane Esquivel Muelbert, Ian R. McGregor, Cesar Gutierrez, Vanessa E. Rubio, David Rolnick
Abstract: Accurate classification of tropical tree species from unoccupied aerial vehicle (UAV) imagery remains challenging due to high species diversity and strong visual similarity among species at typical image resolutions (centimeters per pixel). In contrast, models trained on close-up citizen science photographs captured with smartphones achieve strong plant species classification performance. Recent advances in UAV data acquisition now enable the collection of close-up images that are spatially registered with top-view aerial imagery and approach the level of visual detail found in smartphone photographs, with the trade-off that such high-resolution photos cannot be acquired for many trees. In this work, we evaluate the performance of existing methods using paired top-view and close-up UAV imagery collected in a species-rich tropical forest. Through fine-tuning experiments, we quantify the performance gap between vision foundation models and in-domain generalist plant recognition models across both image types (high-resolution close-up versus coarser-resolution top-view imagery). We show that classification performance is consistently higher on close-up images than on top-view aerial imagery, and that this performance gap widens for rare species. Finally, we propose that self-supervised representation alignment across these two spatial scales offers a promising approach for integrating fine-grained visual information into canopy-level species classification models based on top-view UAV imagery. Leveraging high-resolution close-up UAV imagery to enhance canopy-level species classification could substantially improve large-scale monitoring of tropical forest biodiversity.
Authors: Nilson Chapagain
Abstract: Two-stage recommender systems first choose a candidate generator and then rank items within the generated set. Because the generator decides which items are available to the ranker, changing the generator changes both the policy value and the data support used to estimate that value. This creates an offline selection problem that standard single-stage objectives do not capture: a policy may look good under a retrieval score or a raw off-policy value estimate, but still be unreliable if it depends on weakly supported generator-item pairs. We propose CASP (Coupled Action-Set Pessimism), a support-aware offline selector for finite libraries of two-stage recommender policies. CASP combines doubly robust value estimation with a support-burden penalty. We show that stagewise rules that ignore downstream continuation value can be arbitrarily suboptimal, and we derive population, finite-class, and reconstructed-propensity guarantees for conservative selection. In simulations and a reconstructed MovieLens 1M application, CASP selects lower-burden policies when estimated value and support credibility are in tension.
Authors: Annan Fu, Hao Pei, Maryam Tanha
Abstract: Android malware detectors built with machine learning often suffer from temporal bias: models are trained and evaluated without respecting apps' actual release times, inflating accuracy and weakening real-world robustness. We address this by constructing a time-stamped dataset of benign and malicious Android apps and introducing a timestamp-verification procedure to ensure temporal accuracy. We then propose a detection framework that uses Bootstrap Your Own Latent (BYOL) for self-supervised pre-training to learn obfuscation-resilient representations, followed by supervised classification. Under time-aware evaluation, the method attains 98% accuracy and 89% F1. We further characterize malware behavior by analyzing true positives and false negatives using VirusTotal and the MITRE ATT&CK framework. To support reproducibility and further innovation, we release our dataset and source code.
Authors: Youze Zheng, Jianyou Wang, Yuhan Chen, Matthew Feng, Longtian Bao, Hanyuan Zhang, Maxim Khan, Aditya K. Sehgal, Christopher D. Rosin, Umber Dube, Ramamohan Paturi
Abstract: Predicting the outcomes of prospective clinical trials remains a major challenge for large language models. Prior work has shown that both traditional correlational predictors, such as random forests and logistic regression, and strong commercial LLMs achieve limited performance on this task. In this paper, we propose DeepImagine, a framework for teaching LLMs biomedical reasoning through successive counterfactual imagining. The central idea is to approximate hidden causal mechanisms of clinical trials by training models to infer how observed trial results would change under controlled perturbations of experimental conditions, such as dosage, outcome measures, study arms, geography, and other trial attributes. To support this objective, we construct both natural and approximate counterfactual pairs from real clinical trials with reported outcomes. For settings where strict counterfactual supervision is available, such as paired outcome measures or dose-ranging study arms within the same trial, we train models with supervised fine-tuning. For broader settings where only approximate counterfactual pairs can be retrieved, we optimize models with reinforcement learning using verifiable rewards based on downstream benchmark correctness. We further augment training with synthetic reasoning traces that provide causally plausible explanations for local counterfactual transitions. Using this pipeline, we train language models under 10B parameters, including Qwen3.5-9B, and evaluate them on clinical trial outcome prediction. We aim to show that DeepImagine consistently improves over untuned language models and traditional correlational baselines. Finally, we aim to show that the learned reasoning trajectories provide interpretable signals about how models represent trial-level mechanisms, suggesting a practical path toward more mechanistic and scientifically useful biomedical language models.
Authors: Mackenzie R. Neal, Paul D. McNicholas, Arthur White
Abstract: Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised, probabilistic, and discriminative clustering method via a regularized mutual information objective function, wherein a mixture of mixtures of Gaussian and uniform distributions is used for formulation of the conditional model. Automatic selection of the number of components is established with the introduction of the regularizing term and a merge step, similar to those applied in reversible jump Markov chain Monte Carlo methods used in Bayesian clustering. Consequently, the turtle shell method -- a fully unsupervised clustering method capable of estimating non-linear boundary lines, automatically selecting the number of components, and capturing intuitive clusters in the presence of data abnormalities such as noise and/or irregular cluster shapes -- is introduced. We test this method on various simulated and real datasets commonly explored in clustering research, and extend the analysis to datasets arising from flow cytometry experiments.
Authors: Qian Huang, Mayoore Selvarasa Jaiswal, Zhen Zhong, Rochelle Pereira, Jianyuan Min
Abstract: The real-world adoption of portrait relighting is hindered by dataset domain gaps, camera sensitivity, and computational costs. We address these challenges with Hybrid Domain Knowledge Fusion, a paradigm that fuses the specialized strengths of synthetic, One-Light-at-A-Time (OLAT), and real-world datasets into a compact model. Our approach features specialized prior models hardened by domain-aware adaptation, followed by augmented knowledge distillation into a lightweight student model with multi-domain expertise. Our method demonstrates a 6x to 240x inference speedup while maintaining state-of-the-art (SOTA) visual quality in the experiments. Additionally, we construct a massive, high-fidelity synthetic dataset with diverse ground-truth intrinsics to support our training pipeline.
Authors: Lei Wang, Debashis Ghosh
Abstract: Causal effect estimation from observational data requires careful adjustment for confounding. Classical estimators such as inverse probability weighting and augmented inverse probability weighting are effective under favorable model specification, but may become unstable when treatment assignment and outcome mechanisms are complex, non-linear, and high-dimensional. Machine learning and representation learning approaches improve flexibility, yet joint training can allow outcome-related information to influence treatment-side representations, which is undesirable from a causal perspective. We propose MOCA (Modular One-way Causal Attention), a transformer-based framework that separates treatment and outcome modeling through a modular design, and performs confounder adjustment using a one-way attention mechanism. A cutting-feedback strategy, implemented via gradient detachment, prevents the outcome loss from updating the treatment module. This design preserves directional information flow while retaining the representational power of transformer architectures for causal inference. Across multiple simulated scenarios, including linear, nonlinear, heavy-tailed, hidden confounding, and high-dimensional settings, MOCA shows competitive or improved performance relative to IPW, AIPW, X-learner, TARNet, and DragonNet. We further illustrate the method on the Infant Health and Development Program dataset and the Dehejia-Wahba dataset as real-world benchmarks. These results suggest that modular attention with one-way information flow provides a promising and interpretable direction for causal inference with modern deep learning models.
Authors: Zhicheng Ma, Xiang Liu, Zhaoxiang Liu, Ning Wang, Yi Shen, Kai Wang, Shuming Shi, Shiguo Lian
Abstract: Large Language Models (LLMs) based on Mixture-of-Experts (MoE) are pivotal in industrial applications for their ability to scale performance efficiently. However, standard MoEs enforce uniform expert sizes,creating a rigidity that fails to align computational costs with varying token-level complexity. While heterogeneous expert architectures attempt to address this by diversifying expert sizes, they often suffer from significant system-level challenges, specifically unbalanced GPU utilization and inefficient parameter utilization, which hinder practical deployment. To bridge the gap between theoretical heterogeneity and robust industrial application, we propose Mixture of Heterogeneous Grouped Experts (MoHGE) which introduces a two-level routing mechanism to enable flexible, resource-aware expert combinations. To optimize inference efficiency, we propose a Group-Wise Auxiliary Loss, which dynamically steers tokens to the most parameter-efficient expert groups based on task difficulty. To address the critical deployment challenge of GPU load balancing, we introduce an All-size Group-decoupling Allocation strategy coupled with an Intra-Group Experts Auxiliary Loss. These mechanisms collectively ensure uniform computation distribution across GPUs. Extensive evaluations demonstrate that MoHGE matches the performance of MoE architectures while reducing the total parameters by approximately 20% and maintaining balanced GPU utilization. Our work establishes a scalable paradigm for resource-efficient MoE design, offering a practical solution for optimizing inference costs in real-world scenarios. The code is publicly available at https://github.com/UnicomAI/MoHGE.
Authors: Mengke Li, Haiquan Ling, Yiqun Zhang, Yang Lu, Hui Huang
Abstract: Real-world data often exhibit long-tailed distributions with numerous noisy labels, substantially degrading the performance of deep models. While prior research has made progress in addressing this combined challenge, it overlooks the severe label-image mismatch inherent to high-noise settings, thereby limiting their effectiveness. Given that observed labels, though mismatched with images, still retain category information, we propose employing auxiliary text information from labels to address label-image inconsistencies in long-tailed noisy data. Specifically, we leverage the intrinsic cross-modal alignment in pre-trained visual-language models to correct the label-image inconsistencies. This supervisory signal, referred to as Weak Teacher Supervision (WTS), is unaffected by label noise and data distribution biases, albeit exhibits limited accuracy. Therefore, the activation of WTS is determined by evaluating the discrepancy between text-predicted labels and observed labels. Extensive experiments demonstrate the superior performance of WTS across synthetic and real-world datasets, particularly under high-noise conditions. The source code is available at https://anonymous.4open.science/r/WTS-0F3C.
Authors: Showmitra Kumar Sarkar, Sai Ravela
Abstract: Soil salinity is a major environmental challenge in coastal Bangladesh, threatening agricultural productivity and local livelihoods. This study develops a machine-learning-based framework to predict and map soil salinity in Satkhira district by integrating field observations with Landsat-derived spectral indices. A total of 205 soil samples collected during 2024-2025 were used to train an Extreme Gradient Boosting (XGBoost) model, and predictions were further improved using a Generalized Additive Model (GAM). Spatial cross-validation was applied to reduce autocorrelation bias, and bootstrap resampling was used to quantify prediction uncertainty. The results show strong spatial variability of soil salinity, with higher concentrations in the southern and central coastal regions and lower levels in the northern inland areas. Vegetation indices, particularly NDVI, along with salinity-related spectral indicators, were identified as key predictors. 10-year-window peak-exposure maps generated for 2014-2023 reveal recurrent high-salinity zones and a persistent, expanding footprint of moderate-to-high salinity exposure across the central parts of the district. Uncertainty analysis indicates higher variability in coastal zones and improved prediction stability when multi-year datasets are combined. The proposed framework provides a robust and scalable approach for long-term monitoring of soil salinity. It supports climate-resilient agriculture, land-use planning, and evidence-based decision-making in coastal Bangladesh.
Authors: Yinhao Zhao, Haoyu He, Chuanqi Ma, Hao Wang
Abstract: We propose a unified fractional regularization framework for sparse signal recovery based on the $\ell_1/\ell_p^q$ model. Our main theoretical contribution is the characterization of the equivalence between the first-order stationary points of the $\ell_1/\ell_p^q$ formulation and the subtractive $\ell_1 - \alpha \ell_p$ model, providing a unified perspective on these nonconvex regularizers. In addition, we establish a new sufficient recovery condition under the Restricted Isometry Property (RIP), showing that the framework's robustness even under high-coherence sensing matrices. To solve the resulting problem, we develop a majorization-minimization (MM) algorithm and prove its convergence via the Kurdyka-Lojasiewicz (KL) property. Numerical experiments on different sensing matrices and MRI reconstruction demonstrate that the proposed approach consistently outperforms existing methods.
Authors: Shabarish Chenakkod, Micha{\l} Derezi\'nski, Xiaoyu Dong, Mark Rudelson
Abstract: Perturbing a deterministic $n$-dimensional matrix with small Gaussian noise is a cornerstone of smoothed analysis of algorithms [Spielman and Teng, JACM 2004], as it reduces the condition number of the input to $O(n)$, and with it the complexity of many matrix algorithms. However, when deployed algorithmically, these perturbations are expensive due to the cost of generating and storing $n^2$ Gaussian random variables. We propose a perturbation that requires generating and storing $O(n)$ random numbers in $O(\log n)$ bits of precision, and reduces the condition number of any deterministic matrix to $O(n)$, matching Gaussian perturbations. Our result in particular implies a better complexity for the perturbed conjugate gradient algorithm, showing that we can solve an $n\times n$ linear system in linear space to within an arbitrarily small constant backward error using $O(n)$ matrix-vector products. In our construction, we introduce the concept of a pattern matrix, which is a dense deterministic matrix that maps all sparse vectors into dense vectors, and we combine it with a sparse perturbation whose entries are dependent and located in a non-uniform fashion. In order to analyze this construction, we develop new techniques for lower bounding the smallest singular value of a random matrix with dependent entries.
Authors: Animan Naskar
Abstract: Deploying proprietary Deep Neural Networks (DNNs) on commodity edge devices demands hardware-backed Digital Rights Management (DRM) capable of withstanding both software-level and physical adversaries. In Unified Memory Architecture (UMA) systems, the host CPU and Neural Processing Unit (NPU) share physical DRAM, leaving plaintext model weights directly readable by a compromised OS kernel. Existing defenses fail in this constrained setting: trusted execution environments monopolize scarce memory with permanently reserved regions, while full-memory encryption operates at page granularity. This forces the system to fetch massive 4 KB memory pages for sub-page tensor tiles, severely crippling bandwidth. We present Tessera, a reference architecture for inline, cache-line granularity weight decryption on UMA edge accelerators. The design intercepts 64-byte AXI bursts, computing AES-256-CTR keystreams in parallel with DRAM fetches. This streams plaintext directly into isolated NPU SRAM, creating a transient memory footprint confined to the active tile and eliminating the need for permanent memory carve-outs. Measurements across three distinct SoC platforms demonstrate that this parallelization hides cryptographic latency behind standard DRAM fetch times, a condition that holds even under worst-case timing variations. Consequently, Tessera is projected to achieve 98.4\% of the theoretical memory bandwidth ceiling (a mere 1.6\% overhead). Across standard vision and language models, page-level memory encryption suffers up to a 32x bandwidth penalty, whereas Tessera maintains an optimal 1x footprint for all layer geometries. Finally, Tessera neutralizes major UMA-specific attack vectors -- including physical DRAM extraction, rogue DMA, and compute hijacking -- and formally prevents plaintext leakage across sparse tensors.
Authors: Weihao Lu, Qian Lin, Yingcun Xia, Dongming Huang
Abstract: Existing large-dimensional theory for spectral algorithms resolves either the optimally tuned point or the interpolation limit, but leaves the under-regularized regime unexplored. We study the learning curve and benign overfitting of spectral algorithms in the large-dimensional setting where the sample size and dimension are of comparable order, i.e., $n \asymp d^{\gamma}$ for some $\gamma>0$. We first consider inner-product kernels on the sphere $\mathbb{S}^{d-1}$ and establish a sharp asymptotic characterization of the excess risk across the full regularization path under various source conditions $s \geq 0$, where $s$ measures the relative smoothness of the regression function. Our results reveal that the learning curve is not simply U-shaped but instead consists of three distinct regimes: over-regularized, under-regularized, and interpolation regimes. This characterization allows us to fully capture the benign overfitting phenomenon, demonstrating that benign overfitting arises consistently across both the under-regularized and interpolation regimes whenever $s$ is positive but no larger than a critical threshold. We further show that, in the sufficiently regularized regime, the kernel learning curve is recovered by an associated sequence model. Finally, we extend the learning-curve analysis to large-dimensional KRR for a class of kernels on general domains in $\mathbb{R}^d$ whose low-degree eigenspaces satisfy spectral-scaling and hyper-contractivity conditions.
Authors: Chakshu Gupta
Abstract: Symbolic regression discovers mathematical formulas from data. Some methods fix a tree of operators, assign learnable weights, and train by gradient descent. The tree's structure, which determines what operators and variables appear at each position, is chosen once and applied to every target. This paper tests whether that choice affects which targets are actually recovered. Three structures are compared, all sharing the same operator and target language but differing in how variables enter the tree; one is strictly more expressive. Across over 12,700 training runs, one structure recovers a target at 100% while another scores 0%, and the ranking reverses on a different target. Expressiveness guarantees that a solution exists in the search space, but not that gradient descent finds it: the most expressive structure fails on targets that a restricted alternative solves reliably. Switching the operator changes which targets succeed; reversing its gradient profile collapses recovery entirely. Balanced (non-chain) tree shapes are never recovered. These findings show that the optimization landscape, not expressiveness alone, determines what gradient-based symbolic regression recovers.
Authors: Anthony Lee
Abstract: An approach to construct explicit integral representations for two-layer ReLU networks is presented, which provides relatively simple representations for any multivariate polynomial. Quantitative bounds are provided for a particular, sharpened ReLU integral representation, which involves a harmonic extension and a projection. The bounds demonstrate that functions can be approximated with $L^{2}(\mathcal{D})$ errors that do not depend explicitly on dimension or degree, but rather the coefficients of their monomial expansions and the distribution $\mathcal{D}$.
Authors: Bishwamittra Ghosh, Soumi Das, Till Speicher, Qinyuan Wu, Mohammad Aflah Khan, Deepak Garg, Krishna P. Gummadi, Evimaria Terzi
Abstract: Large language models (LLMs) operate in two fundamental learning modes - fine-tuning (FT) and in-context learning (ICL) - raising key questions about which mode yields greater language proficiency and whether they differ in their inductive biases. Prior studies comparing FT and ICL have yielded mixed and inconclusive results due to inconsistent experimental setups. To enable a rigorous comparison, we propose a formal language learning task - offering precise language boundaries, controlled string sampling, and no data contamination - and introduce a discriminative test for language proficiency, where an LLM succeeds if it assigns higher generation probability to in-language strings than to out-of-language strings. Empirically, we find that: (a) FT has greater language proficiency than ICL on in-distribution generalization, but both perform equally well on out-of-distribution generalization. (b) Their inductive biases, measured by the correlation in string generation probabilities, are similar when both modes partially learn the language but diverge at higher proficiency levels. (c) Unlike FT, ICL performance differs substantially across models of varying sizes and families and is sensitive to the token vocabulary of the language. Thus, our work demonstrates the promise of formal languages as a controlled testbed for evaluating LLMs, behaviors that are difficult to isolate in natural language datasets. Our source code is available at https://github.com/bishwamittra/formallm.
Authors: Varun Totakura, Shayok Chakraborty
Abstract: Due to the unprecedented success of deep learning, it has become an integral component in several multimedia computing applications in todays world. Unfortunately, deep learning systems are not perfect and can fail, sometimes abruptly, without prior warning or explanation. While reducing the error rate of deep neural networks has been the primary focus of the multimedia community, the problem of predicting when a deep learning system is going to fail has received significantly less research attention. In this paper, we propose a simple yet effective framework, MetaErr, to address this under-explored problem in deep learning research. We train a meta-model whose goal is to predict whether a base deep neural network will succeed or fail in predicting a particular data sample, by observing the base models performance on a given learning task. The meta-model is completely agnostic of the architecture and training parameters of the base model. Such an error prediction system can be immensely useful in a variety of smart multimedia applications. Our empirical studies corroborate the promise and potential of our framework against competing baselines. We further demonstrate the usefulness of our framework to improve the performance of pseudo-labeling-based semi-supervised learning, and show that MetaErr outperforms several strong baselines on three benchmark computer vision datasets.
Authors: Yanpei Gong, Beichen Zhang, Hao Wang, Zhaobo Qi, Xinyan Liu, Yuanrong Xu, Ruiyang Gao, Weigang Zhang
Abstract: Remote sensing image change captioning (RSICC) aims to describe the difference between two remote sensing images. While recent methods have explored video modeling, they largely overlook the inherent ambiguities in viewpoint, scale, and prior knowledge, lacking effective constraints on the encoder. In this paper, we present STAND, a Semantic Anchoring Constraint with Dual-Granularity Disambiguation for RSICC, to progressively resolve these ambiguities. Specifically, to establish a reliable feature foundation, we first introduce an interpretable constraint to regularize temporal representations. Operating on these purified features, a dual-granularity disambiguation module resolves spatial uncertainties by coupling macro-level global context aggregation for viewpoint confusion with micro-level frequency-refocused attention for small-object scale enhancement. Ultimately, to translate these visually disambiguated features into precise text, a semantic concept anchoring module leverages language categorical priors to tackle knowledge ambiguity during decoding. Extensive experiments verify the superiority of STAND and its effectiveness in addressing ambiguities.
Authors: Xinzhu Chen, Wei He, Huichuan Fan, Wenzhe Niu, Zhongxiang Sun, Xuanru Wang, Jiuchong Gao, Jinghua Hao, Renqing He, Weijie Yu
Abstract: Group Relative Policy Optimization (GRPO) performs coarse-grained credit assignment in reinforcement learning with verifiable rewards (RLVR) by assigning the same advantage to all tokens in a rollout. Process reward models can provide finer-grained supervision, but they require step-level annotation or additional reward modeling. We show that hidden-state distributions contain a useful signal for local reasoning quality that can be extracted using only outcome-level correctness labels available in RLVR. Specifically, within each GRPO group, the Wasserstein distance between span-level hidden state distributions of correct and incorrect rollouts increases around regions where their local reasoning quality diverges. This association holds both across examples and within individual trajectories, suggesting that hidden-state distributional divergence can serve as a self-supervision signal for fine-grained credit assignment. We formalize this observation with a separation theorem showing that, under mild structural assumptions, post-divergence spans have larger Wasserstein distances than pre-divergence spans whenever the population-level distributional gap exceeds finite-sample noise. Motivated by this result, we propose \textbf{S}pan-level \textbf{H}idden state \textbf{E}nabled \textbf{A}dvantage \textbf{R}eweighting (SHEAR), which modifies GRPO by using span-level Wasserstein distances to scale token-level advantages, amplifying updates on tokens whose hidden states are more separated from the opposing group. The method requires no additional model and only minimal changes to the training pipeline. Experiments on five mathematical reasoning benchmarks and five code generation benchmarks show improvements over standard GRPO and strong performance relative to supervised process reward models, while requiring no additional annotation or reward model training.
Authors: Teng Chen, Sheng Xu, Feixiang Guo, Xiaoyu Wang, Qingqing Gu, Hongyan Li, Luo Ji
Abstract: Unlike traditional fact-based retrieval, rationale-based retrieval typically necessitates cross-encoding of query-document pairs using large language models, incurring substantial computational costs. To address this limitation, we propose Rabtriever, which independently encodes queries and documents, while providing comparable cross query-document comprehension capabilities to rerankers. We start from training a LLM-based generative reranker, which puts the document prior to the query and prompts the LLM to generate the relevance score by log probabilities. We then employ it as the teacher of an on-policy distillation framework, with Rabtriever as the student to reconstruct the teacher's contextual-aware query embedding. To achieve this effect, Rabtriever is first initialized from the teacher, with parameters frozen. The Joint-Embedding Predictive Architecture (JEPA) paradigm is then adopted, which integrates a lightweight, trainable predictor between LLM layers and heads, projecting the query embedding into a new hidden space, with the document embedding as the latent vector. JEPA then minimizes the distribution difference between this projected embedding and the teacher embedding. To strengthen the sampling efficiency of on-policy distillation, we also add an auxiliary loss on the reverse KL of LLM logits, to reshape the student's logit distribution. Rabtriever optimizes the teacher's quadratic complexity on the document length to linear, verified both theoretically and empirically. Experiments show that Rabtriever outperforms different retriever baselines across diverse rationale-based tasks, including empathetic conversations and robotic manipulations, with minor accuracy degradation from the reranker. Rabtriever also generalizes well on traditional retrieval benchmarks such as MS MARCO and BEIR, with comparable performance to the best retriever baseline.
Authors: Kexin Chu
Abstract: Agentic AI systems face security challenges that stateless large language models do not. They plan across extended horizons, maintain persistent memory, invoke external tools, and coordinate with peer agents. Existing security analyses organize threats by attack type (prompt injection, jailbreaking), but provide no principled model of which architectural component is vulnerable or over what timescale the threat manifests. This paper makes five contributions. First, we introduce the Layered Attack Surface Model (LASM), a seven-layer framework that maps threats to distinct architectural components: Foundation, Cognitive, Memory, Tool Execution, Multi-Agent Coordination, Ecosystem, and Governance, the accountability and observability layer that spans the stack analogously to the network management plane. Second, we introduce attack temporality as an orthogonal analytical dimension with four classes: Instantaneous (T1), Session-Persistent (T2), Cross-Session Cumulative (T3), and Sub-Session-Stack, Non-Session-Bounded (T4). Third, through a systematic review of 94 papers (2021--2025), we show that the most dangerous emerging threats concentrate at the intersection of high-layer attacks (L5--L7) and slow-burn temporality (T3--T4): covert agent collusion, long-term memory poisoning, MCP supply-chain compromise, and alignment failure that manifests as an insider threat with no external adversary. Only 8 of 120 paper-cell assignments (7%) fall in this zone. Fourth, we propose a cross-layer defense taxonomy spanning all seven LASM layers and all four temporality classes, exposing which threat classes existing defenses leave unaddressed. Fifth, we survey evaluation benchmarks, identify five research gaps in the under-studied high-layer, slow-burn zone, and argue that agentic security must be treated as a distributed systems problem embedded in an adversarial ecosystem.
Authors: Ruiling Jiang, Yong Zhang, Houbiao Li
Abstract: Deep generative models and neural operators have demonstrated significant potential for 3D aerodynamic inference. However, they often face inherent challenges in maintaining physical consistency and preserving high-frequency features, primarily due to spectral bias and gradient conflicts within the governing equations. To address these issues, we propose GeoFunFlow-3D, a physics-guided generative flow matching framework. Temporally, we utilize optimal transport theory to build the generation path, ensuring stable training dynamics. Spectrally, we introduce a high-order discrete engine without automatic differentiation (No-AD) to reduce gradient stiffness. Spatially, a topology-aware super-resolution module (SATO) is employed to rigorously enforce physical laws in localized regions such as shock waves. We evaluated our framework on complex industrial datasets. On the BlendedNet dataset, the model successfully avoids mode collapse even under sparse data conditions. For the NASA Rotor37 test, it accurately captures 3D detached shock structures. Compared to conventional operators, GeoFunFlow-3D significantly improves accuracy, reducing the pressure field error (RRMSE) to 0.0215 while maintaining competitive inference efficiency. Ultimately, this work provides a reliable, geometry-driven approach for generating high-dimensional fluid fields.
Authors: Houman Mehrafarin, Amit Parekh, Ioannis Konstas
Abstract: Whether intermediate reasoning is computationally useful or merely explanatory depends on whether chain-of-thought (CoT) tokens contain task-relevant information. We present a mechanistic causal analysis of CoT on GSM8K using activation patching: transferring token-level hidden states from a CoT generation to a direct-answer run for the same question, then measuring the effect on final-answer accuracy. Across models, generating after patching yields substantially higher accuracy than both direct-answer prompting and the original CoT trace, revealing that individual CoT tokens can encode sufficient information to recover the correct answer, even when the original trace is incorrect. This task-relevant information is more prevalent in correct than incorrect CoT runs and is unevenly distributed across tokens, concentrating in mid-to-late layers and appearing earlier in the reasoning trace. Moreover, patching language tokens such as verbs and entities carry task-solving information that steers generation toward correct reasoning, whereas mathematical tokens encode answer-proximal content that rarely succeeds. Patched outputs are often shorter and yet exceed the accuracy of a full CoT trace, suggesting complete reasoning chains are not always necessary. Together, these findings demonstrate that CoT encodes recoverable, token-level problem-solving information, offering new insight into how reasoning is represented and where it breaks down.
Authors: Jelena Ili\'c Vuli\'cevi\'c
Abstract: Large language models (LLMs) have demonstrated strong performance on a wide range of software engineering tasks, including code generation and analysis. However, most prior work relies on cloud-based models or specialized hardware, limiting practical applicability in privacy-sensitive or resource-constrained environments. In this paper, we present a systematic empirical evaluation of two locally deployed LLMs, LLaMA 3.2 and Mistral, for real-world Python bug detection using the BugsInPy benchmark. We evaluate 349 bugs across 17 projects using a zero-shot prompting approach at the function level and an automated keyword-based evaluation framework. Our results show that locally executed models achieve accuracy between 43% and 45%, while producing a large proportion of partially correct responses that identify problematic code regions without pinpointing the exact fix. Performance varies significantly across projects, highlighting the importance of codebase characteristics. The results demonstrate that local models can identify a meaningful share of bugs, though precise localization remains difficult for locally executed LLMs, particularly when handling complex and context dependent bugs in realistic development scenarios.
Authors: Jingyu Zhang, Jacky Wai Keung, Yan Xiao, Yihan Liao, Yishu Li, Xiaoxue Ma
Abstract: Adversarial attacks play a pivotal role in testing and improving the reliability of deep learning (DL) systems. Existing literature has demonstrated that subtle perturbations to the input can elicit erroneous outcomes, thereby substantially compromising the security of DL systems. This has emerged as a critical concern in the development of DL-based safety-critical systems like Autonomous Driving Systems (ADSs). The focus of existing adversarial attack methods on End-to-End (E2E) ADSs has predominantly centered on misbehaviors of steering angle, which overlooks speed-related controls or imperceptible perturbations. To address these challenges, we introduce UniAda, a multi-objective white-box attack technique with a core function that revolves around crafting an image-agnostic adversarial perturbation capable of simultaneously influencing both steering and speed controls. UniAda capitalizes on an intricately designed multi-objective optimization function with the Adaptive Weighting Scheme (AWS), enabling the concurrent optimization of diverse objectives. Validated with both simulated and real-world driving data, UniAda outperforms five benchmarks across two metrics, inducing steering and speed deviations from 3.54 degrees to 29 degrees and 11 km per hour to 22 km per hour on average. This systematic approach establishes UniAda as a proven technique for adversarial attacks on modern DL-based E2E ADSs.
Authors: Georgiy A. Bondar, Asmaa Eldesoukey, Yongxin Chen, Abhishek Halder
Abstract: Solutions to the Schr\"{o}dinger bridge problem and its generalizations yield feedback control policies for optimal density steering over a controlled diffusion. To numerically compute the same, the dynamic Sinkhorn recursion has become a standard approach. The mathematical engine behind this approach is the Hopf-Cole transform that recasts the conditions for optimality into a system of boundary-coupled linear PDEs. Recent works pointed out that for the control-affine Schr\"{o}dinger bridge problem, this exact linearity via Hopf-Cole transform, and thus the standard Sinkhorn recursion, apply only if the control and noise channels are proportional. When the channels do not match, the Hopf-Cole-transformed PDEs remain nonlinear, and no algorithm is available to solve the same. We advance the state-of-the-art by designing a Sinkhorn recursion with memory that leverages the structure of these nonlinear PDEs, and demonstrate how it solves the control-affine Schr\"{o}dinger bridge problem with input and noise channel mismatch. We prove the local stability of the proposed algorithm.
Authors: Eshwar R. A., Nevin Mathew Thomas, Nehal G, Farida M. Begam
Abstract: Reconstructing high-fidelity fluid dynamics from sparse temporal observations is quite challenging, mainly due to the chaotic and non-linear nature of fluid transport. Standard deep learning-based interpolation methods often tend to regress to the mean, which results in spatial blurring and temporal strobing, especially noticeable around the observed anchor frames where transitions become discontinuous. In this work, we propose a novel Temporal U-Net architecture that integrates a VGG-based perceptual loss along with a Physics-Informed Bridge to overcome these issues. By introducing time-weighted feature blending and enforcing a parabolic boundary condition defined by t(1 - t), the model ensures smooth transitions while also maintaining perfect consistency at the endpoints. Experimental results on multi-channel RGB fluid data show that our method clearly outperforms standard models, both in terms of structural fidelity and texture preservation. In particular, the model achieves a Mean Absolute Error of 0.015, compared to 0.085 for a standard L1 baseline. Further Spatial Power Spectral Density (PSD) analysis reveals that the model is able to retain high-frequency turbulent details that are usually lost in deterministic reconstructions.
Authors: Daan Rosendal, Ana Oprescu
Abstract: Federated Learning (FL) typically assumes unconditional collaboration, a premise that overlooks the complexities of real-world, multi-stakeholder environments in which clients may need to exclude one another for strategic, regulatory, or competitive reasons. This paper addresses this gap, which we term 'client-level disagreements,' by first introducing a taxonomy of such scenarios. We then propose a robust, multi-track resolution strategy that guarantees strict client exclusion by creating and managing isolated model update paths ('tracks'), thereby preventing the cross-contamination and unfairness issues present in naive strategies. Through an empirical evaluation of our custom simulation system across 34 scenarios using the MNIST and N-CMAPSS datasets, we validate that our approach correctly handles permanent, temporal, and overlapping disagreement patterns. Our scalability analysis reveals the server-side resolution algorithm's overhead is negligible (<1 ms per round) even under heavy load. The primary scalability constraint is the client-side training load from participating in multiple tracks, a cost that we show can be effectively mitigated by a submodel reuse strategy. This work presents a scalable and architecturally sound method for managing client-level disagreements, and enhances the practical applicability of FL in settings where policy compliance and strategic control are non-negotiable.
Authors: Kidist Amde Mekonnen, Yubao Tang, Maarten de Rijke
Abstract: Generative information retrieval (GenIR) consolidates retrieval into a single neural model that decodes document identifiers (docids) directly from queries. While this model-as-index paradigm offers architectural simplicity, it is poorly suited to dynamic document collections. Unlike modular systems, where indexes are easily updated, GenIR's knowledge is parametrically encoded in its weights; consequently, standard adaptation methods such as full and parameter-efficient fine-tuning can induce catastrophic forgetting. We show that sequential adaptation improves retrieval on newly added documents but substantially degrades performance on earlier slices, exposing a pronounced stability-plasticity trade-off. To address this, we propose post-adaptation memory tuning (PAMT), a memory-only stabilization stage that augments an adapted model with a modular parametric memory head (PMH). PAMT freezes the backbone and attaches a product-key memory with fixed addressing. During prefix-trie constrained decoding, decoder hidden states sparsely query PMH to produce residual corrections in hidden space; these corrections are mapped to score adjustments via the frozen output embedding matrix, computed only over trie-valid tokens. This guides docid generation while keeping routing and backbone parameters fixed. To limit cross-slice interference, PAMT updates only a fixed budget of memory values selected using decoding-time access statistics, prioritizing entries frequently activated by the current slice and rarely used in prior sessions. Experiments on MS MARCO and Natural Questions under sequential, disjoint corpus increments show that PAMT substantially improves retention on earlier slices with minimal impact on retrieval performance for newly added documents, while modifying only a sparse subset of memory values per session.
Authors: Kidist Amde Mekonnen, Yongkang Li, Yubao Tang, Simon Lupart, Maarten de Rijke
Abstract: Generative retrieval (GR) ranks documents by autoregressively generating document identifiers. Because many GR methods rely on trie-constrained beam search, they are vulnerable to early pruning of relevant prefixes under finite-beam decoding. Planning Ahead in Generative Retrieval (PAG) mitigates this failure mode by using simultaneous decoding to compute a document-level look-ahead prior that guides subsequent sequential decoding. We reproduce PAG at inference time and stress-test its decoding behavior. Using the authors' released checkpoint and identifier/trie artifacts under the reported decoding setup, we reproduce the main effectiveness results on MS MARCO Dev and TREC-DL 2019/2020, and corroborate the reported beam-size-latency trade-off in our hardware setting. Beyond reproduction, we introduce plan drift diagnostics that quantify how intent-preserving query variations alter the planner's top-n candidate set and highest-weight planner tokens, and how these changes affect guided decoding. We find that PAG's planning signal is brittle under lexical surface-form variation: intent-preserving typos can trigger plan collapse, where the planned candidate pool shifts enough that the look-ahead bonus provides little useful guidance, effectively reverting decoding toward weaker unguided search. We further evaluate fixed-index cross-lingual robustness using non-English mMARCO queries against an English index, and assess query-side mitigation strategies that require no re-indexing; query translation provides the strongest recovery in our setting. Overall, our results confirm PAG's reported effectiveness and the benefit of planning-guided decoding under the released inference setup, while showing that these gains depend on the stability of the planning signal under realistic query variation and query-document mismatch.
Authors: Emre Ard{\i}\c{c}, Yakup Gen\c{c}
Abstract: Federated learning (FL) is a distributed machine learning method where multiple devices collaboratively train a model under the management of a central server without sharing underlying data. One of the key challenges of FL is the communication bottleneck caused by variations in connection speed and bandwidth across devices. Therefore, it is essential to reduce the size of transmitted data during training. Additionally, there is a potential risk of exposing sensitive information through the model or gradient analysis during training. To address both privacy and communication efficiency, we combine differential privacy (DP) and adaptive quantization methods. We use Laplacian-based DP to preserve privacy, which is relatively underexplored in FL and offers tighter privacy guarantees than Gaussian-based DP. We propose a simple and efficient global bit-length scheduler using round-based cosine annealing, along with a client-based scheduler that dynamically adapts based on client contribution estimated through dataset entropy analysis. We evaluate our approach through extensive experiments on CIFAR10, MNIST, and medical imaging datasets, using non-IID data distributions across varying client counts, bit-length schedulers, and privacy budgets. The results show that our adaptive quantization methods reduce total communicated data by up to 52.64% for MNIST, 45.06% for CIFAR10, and 31% to 37% for medical imaging datasets compared to 32-bit float training while maintaining competitive model accuracy and ensuring robust privacy through differential privacy.
Authors: Alexey Pozdnyakov
Abstract: We prove lower bounds on learning the M\"obius or Liouville function with a variety of standard learning techniques, including kernel methods, noisy gradient methods, and correlational statistical query algorithms. These results follow from quantitative bounds on the correlation of M\"obius with digital characters of various finite abelian groups, where the group is dictated by the type of input data the algorithm is given. Using residues mod $p$ for many different primes corresponds to a cyclic group, and using the base $p$ expansion for a fixed prime corresponds to an elementary abelian $p$-group. We also note that lower bounds of this form are closely related to certain types of digital prime number theorems.
Authors: Azmul A. Irfan, Nur Ahmad Khatim, Alfan Alfian Irfan, Achmad Zaki, Erike A. Suwarsono, Mansur M. Arief
Abstract: Radiographic grading of knee osteoarthritis (KOA) with the Kellgren-Lawrence (KL) system is limited by inter-reader variability and the opacity of current deep learning approaches, which predict KL grades directly from images without decomposing structural features. We present Knee-xRAI, a modular framework that independently quantifies the three cardinal radiographic features of KOA (joint space narrowing [JSN], osteophytes, and subchondral sclerosis) and integrates them into an explainable KL grade classification. The pipeline combines U-Net++ segmentation for contour-based JSN measurement, an SE-ResNet-50 network for per-site osteophyte grading (OARSI scale), and a hybrid texture-CNN classifier for binary sclerosis quantification. The resulting 50-dimensional structured feature vector feeds two complementary classification paths. An XGBoost path supports SHAP-based feature attribution. A ConvNeXt hybrid path combines the structured vector with a full-image encoder for enhanced predictive performance. Evaluated on 8,260 radiographs from an OAI-derived dataset, the JSN module achieved a Dice coefficient of 0.8909 and an mJSW intraclass correlation of 0.8674 against manual annotations. The ConvNeXt hybrid path reached a test quadratic weighted kappa (QWK) of 0.8436 and AUC of 0.9017. The transparent XGBoost path achieved a test QWK of 0.6294 with full feature-level audit capability. Ablation confirmed JSN as the dominant predictor (QWK = 0.6103 alone), with osteophyte features providing consistent incremental gain (+0.0183) and sclerosis contributing marginally. Inference-time ablation of Path B confirmed the structured pathway contributes materially beyond the image encoder, with QWK drops of 0.098 (feature zeroing) and 0.284 (feature-image permutation). Knee-xRAI explicitly quantifies all three KL-defining radiographic features within a single auditable pipeline.
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: Prajwal Panth, Nishant Nigam
Abstract: The global financial ecosystem confronts a critical asymmetry: while fraud syndicates operate as borderless, distributed networks, banking institutions remain constrained by regulatory data silos, limiting visibility into cross-institutional threat patterns under strict privacy laws such as GDPR. Although Federated Learning (FL) enables collaborative training, existing protocols impose a trade-off among scalability, privacy, and integrity. Homomorphic encryption schemes are computationally expensive, while pairwise masking protocols require O(N^2) key exchanges and lack mechanisms to detect malformed updates. Existing defenses also remain vulnerable to gradient inversion attacks that can reconstruct sensitive transaction data. To address these limitations, we propose Dynamic Sharded Federated Learning (DSFL), a verifiable secure aggregation framework for cross-institution financial fraud detection. DSFL replaces mesh topologies with Dynamic Stochastic Sharding, reducing communication complexity from O(N^2) to O(N m), where m is a fixed shard size, achieving linear scalability. To mitigate insider threats, we introduce Linear Integrity Tags, an additive-homomorphic commitment mechanism that enables probabilistic verification of submitted updates without the overhead of zero-knowledge proofs, while not enforcing semantic correctness. Additionally, the Active Neighborhood Recovery protocol ensures robust aggregation under participant dropouts. Empirical evaluation on the Credit Card Fraud Detection Dataset (ULB) demonstrates an approximately 33x latency reduction compared to Paillier-based secure aggregation, while maintaining strong resilience under simulated failures. These results position DSFL as a practical foundation for scalable and privacy-preserving collaborative fraud detection.
Authors: Suhas BN, Andrew M. Sherrill, Rosa I. Arriaga, Chris W. Wiese, Saeed Abdullah
Abstract: Large language models are being deployed as mental health support agents at scale, yet only 16% of LLM-based chatbot interventions have undergone rigorous clinical efficacy testing, and simulations reveal psychological deterioration in over one-third of cases. We evaluate four generative models on 250 Prolonged Exposure (PE) therapy scenarios and 146 CBT cognitive restructuring exercises (plus 29 severity-escalated variants), scored by a three-judge LLM panel. All models scored near-perfectly on surface acknowledgment (~0.91-1.00) while therapeutic appropriateness collapsed to 0.22-0.33 at the highest severity for three of four models, with protocol fidelity reaching zero for two. Under CBT severity escalation, one model's task completeness dropped from 92% to 71% while the frontier model's safety-interference score fell from 0.99 to 0.61. We identify a systematic, modality-spanning failure: RLHF safety alignment disrupts the therapeutic mechanism of action by grounding patients during imaginal exposure, offering false reassurance, inserting crisis resources into controlled exercises, and refusing to challenge distorted cognitions mentioning self-harm in PE; and through task abandonment or safety-preamble insertion during CBT cognitive restructuring. These findings motivate a five-axis evaluation framework (protocol fidelity, hallucination risk, behavioral consistency, crisis safety, demographic robustness), mapped onto FDA SaMD and EU AI Act requirements. We argue that no AI mental health system should proceed to deployment without passing multi-axis evaluation across all five dimensions.
Authors: Jainum Sanghavi
Abstract: Vision Transformers trained only on image classification routinely transfer to tasks that demand spatial understanding, yet they receive no spatial supervision during pretraining. We ask where and how robustly such structure is encoded. Probing a frozen ViT-B/16 layerwise for two complementary properties, local patch boundaries (BSDS500) and per-patch depth (NYU Depth V2), reveals a clear hierarchy: boundary structure becomes linearly decodable at layers 5-6 (AP = 0.833), while depth, which requires integrating global cues, peaks two to three layers later at layer 8 (MAE = 0.0875). Both signals collapse at the final classification layer, and random-weight controls confirm the encodings are learned rather than architectural. Causal interventions add specificity: ablating the single direction a linear depth probe reads degrades depth decoding by up to 165%, while ablating any other direction changes it by less than 1%. Targeted activation patching along that direction shows the depth signal is partially re-derived at each layer rather than passively carried in the residual stream, with mid-layer interventions persisting most strongly downstream. The result is that a classification-trained ViT develops an actively maintained spatial hierarchy that mirrors the early-to-late progression observed in the primate visual cortex.
Authors: Khalid Hasan, Jamil Saquer
Abstract: The growing availability of online support groups has opened up new windows to study mental health through natural language processing (NLP). However, it is hindered by a lack of high-quality, well-validated datasets. Existing studies have a tendency to build task-specific corpora without collecting them into widely available resources, and this makes reproducibility as well as cross-task comparison challenging. In this paper, we present a uniform benchmark set of four Reddit-based datasets for disjoint but complementary tasks: (i) detection of suicidal ideation, (ii) binary general mental disorder detection, (iii) bipolar disorder detection, and (iv) multi-class mental disorder classification. All datasets were established upon diligent linguistic inspection, well-defined annotation guidelines, and human-judgmental verification. Inter-annotator agreement metrics always exceeded the baseline agreement score of 0.8, ensuring the labels' trustworthiness. Previous work's evidence of performance on both transformer and contextualized recurrent models demonstrates that these models receive excellent performances on tasks (F1 ~ 93-99%), further validating the usefulness of the datasets. By combining these resources, we establish a unifying foundation for reproducible mental health NLP studies with the ability to carry out cross-task benchmarking, multi-task learning, and fair model comparison. The presented benchmark suite provides the research community with an easy-to-access and varied resource for advancing computational approaches toward mental health research.
Authors: Ben Hagag, William L. Anderson, Christian Schroeder de Witt, Sarah Scheffler
Abstract: Multi-agent systems (MAS), composed of networks of two or more autonomous AI agents, have become increasingly popular in production deployments, yet introduce security risks that do not arise in single-agent settings. Even if individual agents exhibit robust security, architectural decisions governing their coordination can create attack surfaces that have not been systematically characterized. In this work, we present an empirical study of how MAS design decisions shape the tradeoff between task performance and attack resistance. Across three agentic environments (browser, desktop, and code) and 13 architectural configurations, we use stagewise evaluations that distinguish planning refusal, execution-stage interception, partial harmful execution, and successful attack completion to study three key design choices: (i) agent roles, which determine how authority and responsibility are allocated; (ii) communication topology, which shapes how and when agents interact; and (iii) memory, which determines the context and state visibility accessible to each agent. We find that multi-agent architectures are more vulnerable than standalone agents in the majority of configurations, with attack success rates varying by up to 3.8x at comparable or higher benign accuracy, and that no single design is universally safer. These results motivate the development of further evaluations that move beyond the security properties of a single agent.
Authors: Sharan Ramjee
Abstract: Chain-of-Thought (CoT) reasoning has emerged as a key technique for eliciting complex reasoning in Large Language Models (LLMs). Although interpretable, its dependence on natural language limits the model's expressive bandwidth. Continuous thought models address this bottleneck by reasoning in latent space rather than human-readable tokens. While they enable richer representations and faster inference, they raise a critical safety question: how can we detect misaligned reasoning in an uninterpretable latent space? To study this, we introduce MoralChain, a benchmark of 12,000 social scenarios with parallel moral/immoral reasoning paths. We train a continuous thought model with backdoor behavior using a novel dual-trigger paradigm - one trigger that arms misaligned latent reasoning ([T]) and another that releases harmful outputs ([O]). We demonstrate three findings: (1) continuous thought models can exhibit misaligned latent reasoning while producing aligned outputs, with aligned and misaligned reasoning occupying geometrically distinct regions of latent space; (2) linear probes trained on behaviorally-distinguishable conditions ([T][O] vs [O]) transfer to detecting armed-but-benign states ([T] vs baseline) with high accuracy; and (3) misalignment is encoded in early latent thinking tokens, suggesting safety monitoring for continuous thought models should target the "planning" phase of latent reasoning.
Authors: Kazuya Nishimura, Ryoma Bise, Haruka Hirose, Yasuhiro Kojima
Abstract: Deep learning-based nuclei segmentation and classification in pathology images typically rely on large-scale pixel-level manual annotations, which are costly and difficult to obtain across diverse tissues and staining conditions. To address this limitation, we propose a framework that leverages spatial transcriptomics (ST) data as supervision for nuclei segmentation and classification. By incorporating cell-level ST data, we obtain gene expression profiles and corresponding nuclear masks from histopathological images. Gene expression profiles are converted into cell-type labels and used as training data for image-based classification. Because existing gene expression-based cell-type classification methods are not designed for image recognition, we introduce an image-oriented classification approach that bridges gene expression-based cell typing and image-based cell classification. To evaluate generalization, we conduct segmentation experiments on previously unseen organs and compare our method with conventional supervised models. Despite being trained on fewer organ types, our framework achieves higher segmentation accuracy, demonstrating strong transferability. Classification experiments further show consistent improvements over existing approaches.
Authors: Ankur Malik
Abstract: Graph-based anti-money laundering (AML) systems on blockchain networks can score suspicious activity at two granularity levels -- transactions or actor addresses -- yet compliance action is conducted per actor. This paper contributes an evaluation methodology for measuring how scoring granularity affects investigation queue composition under fixed review budgets. We formalize the evaluation through a projection framework mapping transaction-level scores to the actor-level action unit via four aggregation operators, and introduce budgeted investigation metrics -- yield@budget, burden decomposition, and case fragmentation. Using the public Elliptic++ Bitcoin dataset (203,769 transactions; 822,942 address occurrences), we train independent random forest classifiers at each level under a causal temporal protocol and compare review queues through Jaccard overlap, burden decomposition, and feature-matching ablations. At one-percent budget, temporal evaluation yields mean Jaccard of 0.374 (SD 0.171); static pooled evaluation yields 0.087 (95% CI [0.079, 0.094]). An enriched address model receiving all 237 features produces even lower overlap (Jaccard=0.051), with 4.3% illicit per 100 reviews versus 30.2% for the transaction-projected queue. Address-level detection value is temporally concentrated: two timesteps exceed 91% illicit per 100 reviews while the static burden is only 3.4%. A fixed hybrid policy underperforms the best single-level queue by 5.05pp (CI [-10.2pp, -0.9pp]). These findings establish that scoring granularity is a consequential design variable for AML investigation systems -- same data, same budget, different queues, different addresses investigated.
Authors: Teng Li, Stephen Wu, Yong Huang, James L. Beck, Hui Li
Abstract: The health condition of components in civil infrastructures can be described by various discrete states according to their performance degradation. Inferring these states from measurable responses is typically an ill-posed inverse problem. Although Bayesian methods are well-suited to tackle such problems, computing the posterior probability density function (PDF) presents challenges. The likelihood function cannot be analytically formulated due to the unclear relationship between discrete states and structural responses, and the high-dimensional state parameters resulting from numerous components severely complicates the computation of the marginal likelihood function. To address these challenges, this study proposes a novel Bayesian inversion paradigm for discrete variables based on Probabilistic Graphical Models (PGMs). The Markov networks are employed as modeling tools, with model parameters learned from data and structural topology prior. It has been proved that inferring this PGM produces the same probabilistic estimation as the posterior PDF derived from Bayesian inference, which effectively solves the above challenges. The inference is accomplished by Graph Neural Networks (GNNs), and a graph property-based GNN training strategy is developed to enable accurate inference across varying graph scales, thereby significantly reducing the computational overhead in high-dimensional problems. Both synthetic and experimental data are used to validate the proposed framework
Authors: Ziyu Wang, Fei Lei, Dezun Dong
Abstract: Multi-plane architectures have become increasingly prevalent in the Fat-Tree networks of AI data centers. By leveraging multiple ports on a single network interface card (NIC) or multiple NICs within a scale-up domain, each port or NIC is allocated to an independent network plane, thereby provisioning the overall system with multiple network planes. However, no prior literature has explored the application of multi-plane technologies to direct networks such as HyperX. This paper investigates the multi-plane HyperX network and demonstrates that, compared to state-of-the-art network topologies like multi-plane Fat-Tree, Dragonfly, and Dragonfly+, the multi-plane HyperX architecture achieves a significantly smaller network diameter and superior cost-effectiveness.
Authors: Zhuoqi Lyu, Qing Ke
Abstract: Optical chemical structure recognition (OCSR) translates molecular images into machine-readable representations like SMILES strings or molecular graphs, but remains challenging in real-world documents due to inexhaustible variations in chemical structures, shorthand conventions, and visual noise. Most existing deep-learning-based approaches rely on teacher forcing with token-level Maximum Likelihood Estimation (MLE). This training paradigm suffers from exposure bias, as models are trained under ground-truth prefixes but must condition on their own previous predictions during inference. Moreover, token-level MLE objectives hinder the optimization towards molecular-level evaluation criteria such as chemical validity and structural similarity. Here we introduce Minimum Risk Training (MRT) to OCSR and propose COMO (Closed-loop Optical Molecule recOgnition), a closed-loop framework that mitigates exposure bias by directly optimizing over molecule-level, non-differentiable objectives, by iteratively sampling and evaluating the model's own predictions. Experiments on ten benchmarks including synthetic and real-world chemical diagrams from patent and scientific literature demonstrate that COMO substantially outperforms existing rule-based and learning-based methods with less training data. Ablation studies further show that MRT is architecture-agnostic, demonstrating its potential for broad application to end-to-end OCSR systems.
Authors: Ruoxu Tan, Yiming Zang
Abstract: Semi-supervised classification, where unlabeled data are massive but labeled data are limited, often arises in machine learning applications. We address this challenge under high-dimensional data by leveraging the manifold and cluster assumptions. Based on the Fermat distance, a density-sensitive metric that naturally encodes the cluster assumption, we propose the weighted $k$-nearest neighbors (NN) classifier and multidimensional scaling (MDS)-induced classifiers. The use of MDS with a large target dimension allows the effective application of linear classifiers to complex manifold data. Theoretically, we derive a sharp lower bound for the expected excess risk within clusters and prove that the weighted $k$-NN classifier utilizing the true Fermat distance is minimax optimal. Furthermore, we explicitly quantify the utility of unlabeled data by showing that the error arising from estimating the Fermat distance decays exponentially with the pooled sample size. Such a rate is much faster than the related rates in the literature. Extensive experiments on synthetic and real datasets demonstrate competitive or superior performance of our approaches compared to state-of-the-art graph-based semi-supervised classifiers.
Authors: Yuanming Shi (Adobe Inc.), Andreas Haupt (Stanford University)
Abstract: Silicon samples are increasingly used as a low-cost substitute for human panels and have been shown to reproduce aggregate human opinion with high fidelity. We show that, in the alignment-relevant domain of philosophy, silicon samples systematically collapse heterogeneity. Using data from $N = {277}$ professional philosophers drawn from PhilPeople profiles, we evaluate seven proprietary and open-source large language models on their ability to replicate individual philosophical positions and to preserve cross-question correlation structures across philosophical domains. We find that language models substantially over-correlate philosophical judgments, producing artificial consensus across domains. This collapse is associated in part with specialist effects, whereby models implicitly assume that domain specialists hold highly similar philosophical views. We assess the robustness of these findings by studying the impact of DPO fine-tuning and by validating results against the full PhilPapers 2020 Survey ($N = {1785}$). We conclude by discussing implications for alignment, evaluation, and the use of silicon samples as substitutes for human judgment. The code of this project can be found at https://github.com/stanford-del/silicon-philosophers.
Authors: Dongxin Guo, Jikun Wu, Siu Ming Yiu
Abstract: Serving diverse NLP workloads with large language models is costly: at one enterprise partner, inference costs exceeded $200K/month despite over 70% of queries being routine tasks well within the capability of smaller models. We present RouteNLP, a closed-loop framework that routes queries across a tiered model portfolio to minimize cost while satisfying per-task quality constraints. The framework integrates three components: a difficulty-aware router with shared task-conditioned representations trained on preference data and quality signals; confidence-calibrated cascading that uses conformal prediction for distribution-free threshold initialization; and a distillation-routing co-optimization loop that clusters escalation failures, applies targeted knowledge distillation to cheaper models, and automatically retrains the router, yielding over twice the cost improvement of untargeted distillation. In an 8-week pilot deployment processing ~5K queries/day at an enterprise customer-service division, RouteNLP reduced inference costs by 58% while maintaining 91% response acceptance and reducing p99 latency from 1,847 ms to 387 ms. On a six-task benchmark spanning finance, customer service, and legal domains, the framework achieves 40-85% cost reduction while retaining 96-100% quality on structured tasks and 96-98% on generation tasks, with human evaluation confirming that 74.5% of routed generation outputs match or exceed frontier-model quality.
Authors: Dongxin Guo, Jikun Wu, Siu Ming Yiu
Abstract: Financial institutions must track over 60,000 regulatory events annually, overwhelming manual compliance teams; the industry has paid over USD 300 billion in fines and settlements since the 2008 financial crisis. We present ComplianceNLP, an end-to-end system that automatically monitors regulatory changes, extracts structured obligations, and identifies compliance gaps against institutional policies. The system integrates three components: (1) a knowledge-graph-augmented RAG pipeline grounding generations in a regulatory knowledge graph of 12,847 provisions across SEC, MiFID II, and Basel III; (2) multi-task obligation extraction combining NER, deontic classification, and cross-reference resolution over a shared LEGAL-BERT encoder; and (3) compliance gap analysis that maps obligations to internal policies with severity-aware scoring. On our benchmark, ComplianceNLP achieves 87.7 F1 on gap detection, outperforming GPT-4o+RAG by +3.5 F1, with 94.2% grounding accuracy ($r=0.83$ vs. human judgments) and 83.4 F1 under realistic end-to-end error propagation. Ablations show that knowledge-graph re-ranking contributes the largest marginal gain (+4.6 F1), confirming that structural regulatory knowledge is critical for cross-reference-heavy tasks. Domain-specific knowledge distillation (70B $\to$ 8B) combined with Medusa speculative decoding yields $2.8\times$ inference speedup; regulatory text's low entropy ($H=2.31$ bits vs. $3.87$ general text) produces 91.3% draft-token acceptance rates. In four months of parallel-run deployment processing 9,847 updates at a financial institution, the system achieved 96.0% estimated recall and 90.7% precision, with a $3.1\times$ sustained analyst efficiency gain. We report deployment lessons on trust calibration, GRC integration, and distributional shift monitoring for regulated-domain NLP.
Authors: Armin Abdollahi, Negin Ashrafi, Mehdi Kamal, Massoud Pedram
Abstract: Early, tool-free prediction of post-synthesis timing remains a key obstacle to rapid RTL iteration. We introduce TimingLLM, a two-stage retrieval-augmented LLM pipeline that estimates worst negative slack (WNS) and total negative slack (TNS) directly from Verilog. Stage 1 is a fine-tuned LLM that acts as a compact post-synthesis timing oracle, producing path-level arrivals/required times that are summarized into lightweight structural-timing cues (e.g., bag-of-gates counts, critical-path depth, gate-type patterns). Stage 2 is an LLM-based regressor that predicts WNS/TNS and applies a learned diagonal steering vector at the last transformer block, computed from the k nearest timing-labeled modules in a disjoint retrieval bank. On VerilogEval, TimingLLM attains R_WNS = 0.91 (MAPE 12%) and R_TNS=0.97 (MAPE 16%) while running 1.3-1.6 times faster than prior methods. Training uses a new 60k-module Verilog corpus with synthesis reports, which we will release. After training once, TimingLLM can be adapted to new technology libraries and PVT corners by refitting only a small regression head on 1000 labeled modules per setting, consistently outperforming state-of-the-art baselines.
Authors: Teodor-Mihai Cotet, Stefan Ruseti, Mihai Dascalu
Abstract: Resources for Grammatical Error Correction (GEC) in non-English languages are scarce, while available spellcheckers in these languages are mostly limited to simple corrections and rules. In this paper we introduce a first GEC corpus for Romanian consisting of 10k pairs of sentences. In addition, the German version of ERRANT (ERRor ANnotation Toolkit) scorer was adapted for Romanian to analyze this corpus and extract edits needed for evaluation. Multiple neural models were experimented, together with pretraining strategies, which proved effective for GEC in low-resource settings. Our baseline consists of a small Transformer model trained only on the GEC dataset (F0.5 of 44.38), whereas the best performing model is produced by pretraining a larger Transformer model on artificially generated data, followed by finetuning on the actual corpus (F0.5 of 53.76). The proposed method for generating additional training examples is easily extensible and can be applied to any language, as it requires only a POS tagger
Authors: Ryuki Tsukuba, Kazutoshi Ando
Abstract: Hierarchical clustering is a fundamental task in data analysis, yet for a long time it lacked a principled objective function. Dasgupta [STOC 2016] initiated a formal framework by introducing a discrete objective function for cluster trees. This framework was subsequently expanded by Cohen-Addad et al. [J. ACM 2019], who introduced the notion of admissibility -- a criterion ensuring that, whenever the input similarities admit consistent hierarchical representations, the minimizers of an objective function recover them. They also provided a necessary and sufficient condition for admissibility within a broad class of objective functions, which we refer to as sum-type objective functions. Our contributions are twofold. First, we characterize admissible sum-type objective functions when the scaling function g is a symmetric polynomial of degree at most two, together with sufficient conditions in the degree-three case. For admissible objective functions in this class, we show that the recursive sparsest cut algorithm achieves an O($\phi$)-approximation ratio, where $\phi$ denotes the approximation factor of the sparsest cut subroutine. Second, we introduce a new class of objective functions for hierarchical clustering, which we term max-type objective functions, where cluster interactions are measured by maximum rather than aggregate similarity. For this class, we establish a general characterization of admissibility for arbitrary scaling functions g, and a complete characterization when g is a symmetric polynomial of degree at most two. These results provide new theoretical insights into admissible objective functions for hierarchical clustering and clarify the scope of algorithmic guarantees for optimizing them.
Authors: Varad Vishwarupe, Ivan Flechais, Marina Jirotka, Nigel Shadbolt
Abstract: Domestic voice assistants and smart-home devices are increasingly embedded in everyday routines, yet their ethics are often treated as an afterthought or delegated to compliance teams. To explore how expectations about smart-home AI are constructed and managed, we conducted 33 semi-structured interviews with designers, developers, and researchers from major smart-home platforms (Amazon Alexa, Microsoft Azure IoT, and Google Nest). Using a constructivist grounded theory approach, we develop Expectations Management (EM): a culturally embedded model describing how practitioners shape, calibrate, and repair expectations by balancing organisational rights with culturally situated rites. We show that EM differs from expectation-confirmation theory and trust-calibration by foregrounding moral judgement, situated action, and cross-cultural variation. Our analysis reveals four recurring design tensions: automation vs. autonomy, helpfulness vs. intrusiveness, personalisation vs. predictability, and transparency vs. obscurity and distils them into a five-phase EM Design Playbook that supports moral prudence. We discuss implications for responsible smart-home design and offer guidance for human-centred AI.
Authors: Dawon Choi, Hana Kim, Ji-Hoon Kim
Abstract: In Transformer models, non-GEMM (non-General Matrix Multiplication) operations -- especially Softmax and Layer Normalization (LayerNorm) -- often dominate hardware cost due to their nonlinear nature. To address this, previous approximation studies mainly target rank-oriented tasks, which is acceptable for classification. However, edge Natural Language Processing (NLP) applications and edge generative AI are largely evaluated based on score-oriented tasks, so normalization-guaranteed non-GEMM operations are essential. We propose a hardware-efficient Softmax and LayerNorm with Guaranteed Normalization for Edge devices. Our design employs hardware-efficient approximation methods while preserving the normalization (Softmax: $\sum p = 1$, LayerNorm: $\sigma = 1$). Our architecture is described in Verilog HDL and synthesized using the Samsung 28nm CMOS process. In accuracy evaluation, we achieve high accuracy with minimal degradation: GLUE +0.07%, SQuAD -0.01%, perplexity -0.09%. Implementation results show that our architecture is small: $942\,\mu m^2$ for Softmax, $1199\,\mu m^2$ for LayerNorm. Compared to the state of the art, we achieve up to 11x and 14x reduction in area, respectively.
Authors: Peng Xie, Ke Xue, Yunqi Shi, Ruo-Tong Chen, Chengrui Gao, Siyuan Xu, Chenjian Ding, Mingxuan Yuan, Chao Qian
Abstract: Chip placement plays an important role in physical design. While generative models like diffusion models offer promising learning-based solutions, current methods have the following limitations: they use random synthetic data for pre-training, require long sampling times, and often result in overlaps due to their dependence on gradient-based solvers during the sampling process. To overcome these issues, we propose FlowPlace, which features mask-guided synthetic data generation, flow-based efficient training with flexible prior injection, and hard constraint sampling for overlap-free layouts. Experiments on OpenROAD and ICCAD 2015 benchmarks show FlowPlace achieves better PPA metrics, 10-50$\times$ faster sampling efficiency, and zero overlaps.
Authors: Seongjin Choi
Abstract: We present a semantic-structural atlas of transportation research built from 120{,}323 papers across 34 peer-reviewed journals published between 1967 and 2025, roughly an order of magnitude larger than and a decade beyond Sun and Rahwan's~(2017) coauthorship study. We use OpenAlex and Crossref as open, CC0-licensed data sources, resolve author identity through OpenAlex author IDs, ORCID records, and manual alias resolution, and embed every paper with SPECTER2 with Arora-style whitening concatenated with concept TF--IDF and venue linear-discriminant projections. On this substrate we report three findings. First, Leiden on the author-level semantic k-nearest-neighbor graph yields 23 topic communities that agree only weakly with the 172 coauthor communities (normalized mutual information $0.23$), opening room for a predictive layer that neither source encodes alone. Second, a multiplex Leiden partition combining both edge types recovers 181 communities and localizes where collaboration and topic structure decouple. Third -- the paper's core methodological contribution -- we define \emph{phantom collaborators}, pairs of authors who are top-$K$ semantic neighbors yet $\geq 3$ hops apart in the coauthor graph, and show via a temporal hold-out (training cutoff 2019) that phantom pairs become real coauthors in 2020--2025 at a rate $16$ to $33$ times above random, popularity-weighted, and same-venue baselines, with a $68$-fold monotone gradient between the highest- and lowest-similarity buckets. All artifacts are released as a live, reproducible web atlas at https://choi-seongjin.github.io/transport-atlas/.
Authors: Nikolaos Al. Papadopoulos, Konstantinos E. Psannis
Abstract: Information-theoretic (IT) measures are ubiquitous in artificial intelligence: entropy drives decision-tree splits and uncertainty quantification, cross-entropy is the default classification loss, mutual information underpins representation learning and feature selection, and transfer entropy reveals directed influence in dynamical systems. A second, less consolidated family of measures, integrated information (Phi), effective information (EI), and autonomy, has emerged for characterizing agent complexity. Despite wide adoption, measure selection is often decoupled from estimator assumptions, failure modes, and safe inferential claims. This paper provides a practical decision framework for all seven measures, organized around three prescriptive questions for each: (i) what question does the measure answer and in which AI context; (ii) which estimator is appropriate for the data type and dimensionality; and (iii) what is the most dangerous misuse. The framework is operationalized in two complementary artifacts: a measure-selection flowchart and a master decision table. We cover both AI/ML and decision-making agent application domains per measure, with standardized Bridge Boxes linking IT quantities to cognitive constructs. Three worked examples illustrate the framework on concrete practitioner scenarios spanning representation learning, temporal influence analysis, and evolved agent complexity.
Authors: Tushar Pandey
Abstract: Deploying quantum machine learning on NISQ devices requires architectures where training overhead does not negate computational advantages. We systematically compare two quantum approaches for chaotic time-series prediction on the Lorenz system: a variational Quantum Physics-Informed Neural Network (QPINN) and a Quantum Reservoir Computing (QRC) framework utilizing a fixed transverse-field Ising Hamiltonian. Under matched resources ($4$--$5$ qubits, $2$--$3$ layers), QRC achieves an $81\%$ lower mean-squared error (test MSE $3.2 \pm 0.6$ vs. $47.9 \pm 36.6$ for QPINN) while training $\sim 52,000\times$ faster ($0.2$\,s vs. $\sim 2.4$\,h per seed). Drawing on the classical delay-embedding principle, we formalize a temporal windowing technique within the QRC pipeline that improves attractor reconstruction by providing bounded, structured input history. Analysis reveals that QPINN instability stems from capacity limitations and competing loss terms rather than barren plateaus; gradient norms remained large ($10^3$--$10^4$), ruling out exponential suppression at this scale. These failure modes are absent by construction in the non-variational QRC approach. We validate robustness across three canonical systems (Lorenz, R\"{o}ssler, and Lorenz-96), where QRC consistently achieves low test MSE ($3.1 \pm 0.6$, $1.8 \pm 0.1$, and $12.4 \pm 0.6$, respectively) with sub-second training. Our findings suggest the fixed-reservoir architecture is a primary driver of QRC's advantage at these scales, warranting further investigation at larger qubit counts and on hardware where quantum-specific advantages are expected to emerge.
Authors: Nastaran Dab, Raziyeh Zall, Mohammadreza Kangavari
Abstract: Multimodal affective computing analyzes user-generated social media content to predict emotional states. However, a critical gap remains in understanding how visual content shapes cognitive interpretations and elicits specific affective experiences such as pleasure. This study introduces a novel computational model to infer video-induced pleasure via cognitive appraisal variables. The proposed model addresses four challenges: (1) noisy and inconsistent human labels, (2) the semantic gap between "positive emotions" and "pleasure," (3) the scarcity of pleasure-specific datasets, and (4) the limited interpretability of existing black-box fusion methods. Our approach integrates data-driven and cognitive theory-driven methods, using cognitive appraisal theory and a fuzzy model within an innovative framework. The model employs transformer-based architectures and attention mechanisms for fine-grained multimodal feature extraction and interpretable fusion to capture both inter- and intra-modal dynamics associated with pleasure. This enables the prediction of underlying appraisal variables, thereby bridging the semantic gap and enhancing model explainability beyond conventional statistical associations. Experimental results validate the efficacy of the proposed method in detecting video-induced pleasure, achieving a peak accuracy of 0.6624 in predicting pleasure levels. These findings highlight promising implications for affective content recommendation, intelligent media creation, and advancing our understanding of how digital media influences human emotions.
Authors: Sophie Chiang, Tom Brennan, Fethiye Irmak Dogan, Jiaee Cheong, Hatice Gunes
Abstract: In recent years, the integration of multimodal machine learning in wellbeing assessment has offered transformative potential for monitoring mental health. However, with the rapid advancement of Vision-Language Models (VLMs), their deployment in clinical settings has raised concerns due to their lack of transparency and potential for bias. While previous research has explored the intersection of fairness and Explainable AI (XAI), its application to VLMs for wellbeing assessment and depression prediction remains under-explored. This work investigates VLM performance across laboratory (AFAR-BSFT) and naturalistic (E-DAIC) datasets, focusing on diagnostic reliability and demographic fairness. Performance varied substantially across environments and architectures; Phi3.5-Vision achieved 80.4% accuracy on E-DAIC, while Qwen2-VL struggled at 33.9%. Additionally, both models demonstrated a tendency to over-predict depression on AFAR-BSFT. Although bias existed across both architectures, Qwen2-VL showed higher gender disparities, while Phi-3.5-Vision exhibited more racial bias. Our XAI intervention framework yielded mixed results; fairness prompting achieved perfect equal opportunity for Qwen2-VL at a severe accuracy cost on E-DAIC. On AFAR-BSFT, explainability-based interventions improved procedural consistency but did not guarantee outcome fairness, sometimes amplifying racial bias. These results highlight a persistent gap between procedural transparency and equitable outcomes. We analyse these findings and consolidate concrete recommendations for addressing them, emphasising that future fairness interventions must jointly optimise predictive accuracy, demographic parity, and cross-domain generalisation.
Authors: Paras Ghodeshwar, Sandeep K Shukla, Anand Handa, Nitesh Kumar
Abstract: Rootkits are among the most elusive types of malware, capable of bypassing traditional static analysis methods due to their metamorphic behavior. Signature-based detection techniques struggle against these threats, necessitating a shift toward dynamic analysis approaches. We propose SeqShield, a behavior-based rootkit detection approach designed specifically for the Windows OS, leveraging API call sequences for dynamic behavior analysis. Instead of relying on static signatures, SeqShield examines the execution patterns of API calls, which inherently reflect malicious intent. Analyzing API sequences, we can effectively identify rootkit-like behavior. We also employed a metamorphic code engine to generate 10X mutated variants of rootkits, demonstrating their obfuscation strategies. SeqShield applies n-gram analysis to extract bigram and trigram features from these API call sequences, enabling effective detection of rootkit-like activity. Among the models tested, Random Forest achieves the highest accuracy of 97.27% (bigram) and 96.17% (trigram). To optimize performance and decrease the dimension, we apply feature importance ranking using the Gini Impurity Index, iteratively selecting the most significant features. The optimized lower-dimensional feature matrix significantly enhances detection efficiency without sacrificing accuracy. Using the optimized feature set, our approach achieves 96.72% accuracy for bigrams and 97.81% accuracy for trigrams.
Authors: William Ratcliff II
Abstract: Autonomous neutron spectroscopy must solve three distinct tasks: detection (where is the signal?), inference (which Hamiltonian governs it?), and refinement (what are the parameters?). No single controller solves all three equally well. We present TAS-AI, a hybrid agnostic-to-physics-informed framework for autonomous triple-axis spin-wave spectroscopy that separates these tasks explicitly. In blind reconstruction benchmarks, model-agnostic methods such as random sampling, coarse grids, and Gaussian-process mappers reach a global error threshold more reliably and with fewer measurements than physics-informed planning, supporting the claim that discovery and inference are distinct tasks requiring distinct controllers. Once signal structure is localized, the physics-informed stage performs in-loop Hamiltonian discrimination and parameter refinement: in a controlled square-lattice test between nearest-neighbor-only and J1-J2 Hamiltonians, TAS-AI reaches a decisive AIC-derived evidence ratio (>100) in fewer than 10 measurements, while motion-aware scheduling cuts wall-clock time by 32% at a fixed measurement budget. We also identify a failure mode of posterior-weighted design, algorithmic myopia, in which the planner over-refines the current leading model while under-sampling low-intensity falsification probes. A constrained falsification channel sharply reduces time spent committed to the wrong model and accelerates correct model selection without modifying the Bayesian inference engine. In controlled two-model ablations, both a deterministic top-two max-disagreement rule and an LLM-based audit committee achieve this gain under identical constraints. We demonstrate the full workflow in silico using a high-fidelity digital twin and provide an open-source Python implementation.
Authors: Jillian Ross, Andrew W. Lo
Abstract: Large language models are increasingly deployed as advisors in high-stakes domains -- answering medical questions, interpreting legal documents, recommending financial products -- where good advice requires integrating a user's full context rather than responding to salient surface features. We investigate whether frontier LLMs actually do this, or whether they instead exhibit heuristic collapse: a systematic reduction of complex, multi-factor decisions to a small number of dominant inputs. We study the phenomenon in investment advice, where legal standards explicitly require individualized reasoning over a client's full circumstances. Applying interpretable surrogate models to LLM outputs, we find systematic heuristic collapse: investment allocation decisions are largely determined by self-reported risk tolerance, while other relevant factors contribute minimally. We further find that web search partially attenuates heuristic collapse but does not resolve it. These findings suggest that heuristic collapse is not resolved by web search augmentation or model scale alone, and that deploying LLMs as advisors requires auditing input sensitivity, not just output quality.
Authors: Ashwin Suriyanarayanan, Melissa Adrian, Dibyajyoti Chakraborty, Romit Maulik
Abstract: Deep learning approaches have shown remarkable promise in turbulence closure modeling for large eddy simulations (LES). The differentiable physics paradigm uses the so-called a-posteriori approach for learning by embedding a neural network closure directly inside the solver and optimizing its learnable parameters against ground truth time-series data which may be observed sparsely. This addresses a key limitation of a-priori learning where direct numerical simulation (DNS) data is used to approximate the subgrid stress with the assumption of a filter. However, closures that are trained in this manner frequently lead to unstable deployments due to the mismatch between the assumed filter and the effect of numerical discretizations. However, a-posteriori learning incurs high computational costs due to the need to backpropagate gradients through an LES solver. Furthermore, a-posteriori methods are challenging to apply broadly since they require significant modification of existing solvers. Finally, these approaches have also been observed to be limited when generalization is desired across different numerical schemes. In this work, we discuss a novel approach for the deep learning of turbulence closure models motivated by the continuous data assimilation (CDA) approach (also known as nudging). Our approach enables a-priori training of closures for coarse-grid LES, treating DNS data as sparse observations. This approach enables the deep learning model to successfully learn the required forcing to capture the ground-truth statistics while maintaining long term stability without needing adjoints or backpropagation through the solver. We train and evaluate the model's ability to adapt to different numerical and temporal schemes. Additionally, we analyse the model behavior with varying numerical discretization errors and compare its predictions to traditional closure models.
Authors: Alexander Bering
Abstract: Despite a century of empirical memory research, existing AI agent memory systems rely on system-engineering metaphors (virtual-memory paging, flat LLM storage, Zettelkasten notes), none integrating principles of consolidation, forgetting, and reconsolidation. We present ZenBrain, a multi-layer memory architecture integrating fifteen neuroscience models. It implements seven memory layers (working, short-term, episodic, semantic, procedural, core, cross-context) orchestrated by nine foundational algorithms (Two-Factor Synaptic Model, vmPFC-coupled FSRS, Simulation-Selection sleep, Bayesian confidence, and five more) plus six new Predictive Memory Architecture (PMA) components: a four-channel NeuromodulatorEngine, prediction-error-gated ReconsolidationEngine, TripleCopyMemory with divergent decay, four-dimensional PriorityMap with amygdala fast-path, StabilityProtector (NogoA/HDAC3 analogue), and MetacognitiveMonitor for bias detection. The 15-algorithm ablation reveals a cooperative survival network: under stress, 9 of 15 algorithms become individually critical (delta-Q up to -93.7%, Wilcoxon, 10 seeds, alpha=0.005). Simulation-Selection sleep achieves 37% stability improvement (p<0.005) with 47.4% storage reduction. TripleCopyMemory retains S(t)=0.912 at 30 days; PriorityMap reaches NDCG@10=0.997. Multi-layer routing beats a flat single-layer baseline by 20.7% F1 on LoCoMo (p<0.005) and 19.5% on MemoryArena (p=0.015). On LongMemEval-500, ZenBrain holds the highest mean rank on all 12 system-judge cells (4 systems x 3 LLM judges), three-judge mean J=0.545 vs letta=0.485, a-mem=0.414, mem0=0.394; all 9 pair-wise contrasts clear Bonferroni (alpha=0.05/18, min p=6.2e-31, d in [0.18, 0.52]). Under LongMemEval's binary judge, ZenBrain reaches 91.3% of oracle accuracy at 1/106th the per-query token budget. Open-source with 11,589 automated test cases.
Authors: Helder Oliveira
Abstract: Breast cancer is a leading cause of cancer-related mortality among women worldwide, with mammography as the primary screening tool. While deep learning models have shown strong performance in lesion segmentation, most rely on computationally intensive architectures that limit their use in resource-constrained environments. This study evaluates the performance and efficiency of lightweight models for mammographic lesion segmentation. Architectures including MobileNetV2, EfficientNet Lite, ENet, and Fast-SCNN were compared against a U-Net baseline using the INbreast dataset with 5-fold cross-validation. Performance was assessed using Dice score, Intersection over Union (IoU), and Recall, alongside model complexity. MobileNetV2 with Squeeze-and-Excitation (SCSE) achieved the best performance, with a Dice score of 0.5766 while using approximately 75\% fewer parameters than U-Net. Cross-dataset evaluation on the DMID dataset showed reduced accuracy due to domain shift but preserved recall. These results demonstrate that lightweight architectures offer a practical balance between performance and efficiency for deployable CAD systems.
Authors: Il Memming Park, Ayesha Vermani, Gonzalo G. de Polavieja, Juan \'Alvaro Gallego, Kathleen Esfahany, Shreya Saxena, Michael Orger, Auke Ijspeert, Matthew Dowling, Daniel McNamee, Srinivas C. Turaga, Zachary Mainen, Joseph J. Paton, Alfonso Renart
Abstract: Large-scale neuroscience is generating rich datasets across animals, brain areas and behavioral contexts, yet our modeling efforts remains fragmented across isolated experiments. We argue that understanding behavior requires integrative neurocybernetic models: understandable dynamical models that capture the closed-loop coupling of brain, body and environment, treat the brain as a controller pursuing latent objectives, represent structured variation across scales, and scale to heterogeneous datasets. Such models shift the goal from predicting neural recordings in isolation to inferring the organizing principles that govern neural and behavioral dynamics. We outline a practical route toward this goal by combining nonlinear state-space models and meta-dynamical extensions with scalable inference, knowledge distillation, mixed open- and closed-loop training, and connectomics-informed architectures. By pooling complementary constraints from recordings, behavior, perturbations and anatomy, integrative neurocybernetic models can provide statistical amplification, few-shot generalization, and mechanistic insight into shared dynamical structure, individual variation, and the control objectives that govern behavior. This agenda offers a model-centric path from fragmented data to a mechanistic science of how brains produce behavior.
Authors: Min Yang, Wei Zheng, John Stufken, Ming-Chung Chang, Ting Tian, Xueqin Wang
Abstract: When, in terms of the number of data points, the size of a dataset exceeds available computing resources, or when labeling is expensive, an attractive solution consists of selecting only some of the data points (subdata) for further consideration. A central question for selecting subdata of size $n$ from $N$ available data points is which $n$ points to select. While an answer to this question depends on the objective, one approach for a parametric model and a focus on parameter estimation is to select subdata that retains maximal information. Identifying such subdata is a classical NP-hard problem due to its inherent discreteness. Based on optimal approximate design theory, we develop a new methodology for information-based subdata selection, resulting in subdata that approaches the optimal solution. To achieve this, we develop a novel algorithm that applies to a general model, accommodates arbitrary choices of $N$ and $n$, and supports multiple optimality criteria, and we prove its convergence. Moreover, the new methodology facilitates an assessment of the efficiency of subdata selected by any method by obtaining tight lower and upper bounds for the efficiency. We show that the subdata obtained through the new methodology is highly efficient and outperforms all existing methods.
Authors: Guodan Dong, Jianhua Qin, Chang Xu
Abstract: Multi-scale dynamic wake prediction is essential for the real-time control and performance optimization of floating offshore wind turbines (FOWTs). In this study, Fourier neural operators (FNOs) and physics-informed neural networks (PINNs) are utilized for the first time to reconstruct and predict the complex turbulent wakes of the FOWT under coupled surge and pitch motions across a range of Strouhal numbers (St = [0, 0.6]). Results demonstrate that while both models successfully capture dominant dynamic characteristics such as wake meandering, PINN-generated wakes appear relatively smooth, failing to resolve high-frequency coherent structures as well as the intensity of temporal variations in wake center and wake half-width. FNO effectively resolves both large- and small-scale coherent turbulent structures with significantly higher fidelity. Furthermore, FNO achieves a training speed approximately eight times faster than PINN, converging in far fewer epochs. Power spectral density (PSD) analysis reveals that FNO is more effective at capturing not only the primary wake meandering frequencies (St) but also their higher-order harmonics (e.g., 2St and 3St) and small-scale coherent structures. In fact, PINN effectively acts as a spatiotemporal low-pass filter; they resolve only large-scale dynamic features and fail to capture other spectral signatures induced by coupled surge and pitch motions, thereby significantly underestimating the energy in the high-frequency regime. These findings suggest that FNO is a promising approach for FOWT wake prediction.
Authors: Khai Nguyen
Abstract: We propose a new regularized optimal transport (OT) formulation, termed sliced-regularized optimal transport (SROT). Unlike entropic OT (EOT), which regularizes the transport plan toward an independent coupling, SROT regularizes it toward a smoothened sliced OT (SOT) plan. To the best of our knowledge, SROT is the first approach to leverage a version of SOT plan as a reference to improve classical OT. We provide a formal definition of SROT, derive its dual formulation, and provide a post-Bayesian interpretation of SROT. We then develop a Sinkhorn-style algorithm for efficient computation, retaining the same scalability advantages as EOT. By incorporating a scalable SOT plan as a prior, SROT yields more accurate approximations of the exact OT plan than EOT under the same level of regularization. Moreover, the resulting transport plan improves upon the reference SOT plan itself. We further introduce the corresponding OT divergence induced by SROT, named SROT divergence, and analyze its topological and computational properties. Finally, we validate our approach through experiments on synthetic datasets and color transfer tasks, demonstrating that SROT is better than both EOT and SOT in approximating exact OT. Additional experiments on gradient flows further highlight the advantages of SROT divergence.
Authors: Ludovico T. Giorgini
Abstract: Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging. Standard approaches often rely on short-time trajectory increments, state-space partitioning, or repeated simulation of candidate models, which become unreliable or computationally expensive for high-dimensional systems, coarse temporal sampling, or unevenly sampled data. We introduce a data-driven calibration method based on a novel relationship between the coefficients of a stochastic reduced model and the conditional score of the finite-time transition density, defined as the gradient of the logarithm of the transition density with respect to the initial state. The resulting identity expresses derivatives of lagged correlation functions as stationary expectations over observed lagged pairs involving this conditional score and the unknown model coefficients. This formulation allows the drift and diffusion structure to be constrained directly from finite-lag statistics, without differentiating trajectories, partitioning state space, or repeatedly integrating candidate reduced models during calibration, yielding a least-squares fitting problem over stationary lagged pairs. We validate the approach on analytically tractable and data-driven nonequilibrium diffusions, demonstrating that the inferred models preserve the invariant statistics while accurately reproducing finite-lag dynamical correlations. The framework provides a scalable route for learning stochastic reduced-order models from data that reproduce prescribed statistical and dynamical properties.
Authors: Jack King, Evelina Fedorenko, Eghbal A. Hosseini
Abstract: In autoregressive large language models (LLMs), temporal straightening offers an account of how the next-token prediction objective shapes representations. Models learn to progressively straighten the representational trajectory of input sequences across layers, potentially facilitating next-token prediction via linear extrapolation. However, a direct link between this trajectory and token-level behavior has been missing. We provide such a link by relating contextual curvature-a geometric measure of how sharply the representational trajectory bends over recent context-to next-token entropy. Across two models (GPT-2 XL and Pythia-2.8B), contextual curvature is correlated with entropy, and this relationship emerges during training. Perturbation experiments reveal selective dependence: manipulating curvature through trajectory-aligned interventions reliably modulates entropy, while geometrically misaligned perturbations have no effect. Finally, regularizing representations to be straighter during training modestly reduces token-level entropy without degrading validation loss. These results identify trajectory curvature as a task-aligned representational feature that influences behavioral uncertainty in LLMs.
Authors: Minhyeong Yu, Wonduk Seo
Abstract: Product mapping, the task of deciding whether two e-commerce listings refer to the same product, is a core problem for price monitoring and channel visibility. In real marketplaces, however, sellers frequently inject promotional keywords, platform-specific tags, and bundle descriptions into titles, causing the same product to appear under many different names. Recent LLM-based and multi-agent frameworks improve robustness and interpretability on such hard cases, but they often rely on expensive external APIs, repeated retrieval, and complex inference-time orchestration, making large-scale deployment costly and difficult in privacy-sensitive enterprise settings. To address these issues, we present EPM-RL, a reinforcement-learning-based framework for building an accurate and efficient on-premise e-commerce product mapping model. Our central idea is to distill high-cost agentic reasoning into a trainable in-house model. Starting from a curated set of product pairs with LLM-generated rationales and human verification, we first perform parameter-efficient fine-tuning (PEFT) on a small student model using structured reasoning outputs. We then further optimize the model with Reinforcement Learning (RL) using an agent-based reward that jointly evaluates output-format compliance, label correctness, reasoning--preference scores from specially designed judge models. Preliminary results show that EPM-RL consistently improves over PEFT-only training and offers a stronger quality--cost trade-off than commercial API-based baselines, while enabling private deployment and lower operational cost. These findings suggest that reinforcement learning can turn product mapping from a high-latency agentic pipeline into a scalable, inspectable, and production-ready in-house system.
Authors: You Yang, Fei Wang
Abstract: Randomized neural networks (RaNNs) are attractive for partial differential equations (PDEs) because they replace expensive end-to-end training with a linear least-squares solve over randomized hidden features. Their practical performance, however, depends strongly on the sampling distribution of the hidden-layer parameters, which is usually chosen heuristically and problem by problem. This distribution sensitivity is a central bottleneck in randomized neural PDE solvers. In this work, we propose Adaptive-Distribution Randomized Neural Networks (AD-RaNN), a framework that promotes randomized feature generation from a fixed heuristic choice to a low-dimensional adaptive optimization problem. Instead of training all hidden weights and biases, AD-RaNN parameterizes the hidden-feature sampling distribution by a low-dimensional vector p and optimizes only p, thereby preserving the least-squares structure of RaNNs while reducing manual distribution tuning. The method uses a two-stage strategy: ridge-regularized reduced training for stable distribution-parameter optimization, followed by an unregularized least-squares refit for final solution recovery. We develop two adaptive mechanisms, PDE-Driven Adaptive Distribution (PDAD) and Data-Driven Adaptive Distribution (DDAD), and deploy them in space-time solvers, discrete-time solvers, and operator-learning models. We also incorporate an adaptive layer-growth enhancement for localized structures. For the reduced optimization problem, we establish well-posedness of the reduced objectives, consistency of ridge-regularized minimizers, an efficient gradient formula, and a practical lower-bound estimate for the ridge parameter. Numerical experiments on benchmark problems show that AD-RaNN provides an effective distribution-level adaptation mechanism, reduces reliance on hand-crafted hidden-feature distributions, and achieves strong empirical accuracy.
Authors: Han Wang, Xiaodong Yu, Jialian Wu, Jiang Liu, Ximeng Sun, Mohit Bansal, Zicheng Liu
Abstract: Large language models (LLMs) achieve strong reasoning performance by allocating substantial computation at inference time, often generating long and verbose reasoning traces. While recent work on efficient reasoning reduces this overhead through length-based rewards or pruning, many approaches are post-trained under a much shorter context window than base-model training, a factor whose effect has not been systematically isolated. We first show that short-context post-training alone, using standard GRPO without any length-aware objective, already induces substantial reasoning compression-but at the cost of increasingly unstable training dynamics and accuracy degradation. To address this, we propose Step-level Advantage Selection (SAS), which operates at the reasoning-step level and assigns a zero advantage to low-confidence steps in correct rollouts and to high-confidence steps in verifier-failed rollouts, where failures often arise from truncation or verifier issues rather than incorrect reasoning. Across diverse mathematical and general reasoning benchmarks, SAS improves average Pass@1 accuracy by 0.86 points over the strongest length-aware baseline while reducing average reasoning length by 16.3%, yielding a better accuracy-efficiency trade-off.
Authors: Iizalaarab Elhaimeur, Nikos Chrisochoides
Abstract: Multi-agent LLM tutoring systems improve response quality through agent specialization, but each student query triggers several concurrent API calls whose latencies compound through a parallel-phase maximum effect that single-agent systems do not face. We instrument ITAS, a four-agent tutoring system built on Gemini 2.5 Flash and Google Vertex AI, across three throughput tiers (Standard PayGo, Priority PayGo, and Provisioned Throughput) and eleven concurrency levels up to 50 simultaneous users, producing over 3,000 requests drawn from a live graduate STEM deployment. Priority PayGo maintains flat sub-4-second response times across the full load range; Standard PayGo degrades substantially under classroom-scale concurrency; and Provisioned Throughput delivers the lowest latency at low concurrency but saturates its reserved capacity above approximately 20 concurrent users. Cost analysis places both pay-per-token tiers well below the price of a STEM textbook per student per semester under a worst-case usage ceiling. Provisioned Throughput, expensive under continuous provisioning, becomes cost-competitive for institutions that can predict and concentrate their traffic toward high utilization. These results provide concrete tier-selection guidance across deployment scales from a single seminar to a university-wide rollout.
Authors: Guillaume Perez, Janarbek Matai, Takahiro Harada
Abstract: Implicit neural representations (INRs) are increasingly being used as tools to map coordinates to signals, encompassing applications from neural fields to texture compression, shape representations, and beyond. Most INR methods are based on using high-dimensional projections of the initial coordinates through encoders such as grid or positional encoding. Nevertheless, positional encoding is often insufficient and grids, as we show in this paper, require high resolution for being able to learn. In this paper, we demonstrate that positional encoding can be used not only as a high-dimensional embedding but also decomposed as a series of meaningful points. We propose the Positional Encoding Projected Sampling, where we treat the projection of the original coordinate at each frequency as a point of interest. We describe the motion of each point with respect to the frequencies and show that it follows a unique pattern. Finally, we use the unique motion of each point as a basis decomposition for doing learned positional encoding using grids. We prove, using three competitive applications; image representation, texture compression, and signed distance function; that the proposed approach outperforms the current state of the art methods, and often requires 25\% less parameters for equivalent reconstruction error or rendering.
Authors: Olav Benjamin Vassend
Abstract: This paper uses a minimum divergence framework to introduce a new way of calculating model weights that can be used to average probabilistic predictions from statistical and machine learning models. The method is general and can be applied regardless of whether the models under consideration are fit to data using frequentist, Bayesian, or some other fitting method. The proposed method is motivated in two different ways and is shown empirically to perform better than or on a par with standard model averaging methods, including model stacking and model averaging that relies on Akaike-style negative exponentiated model weighting, especially when the sample size is small. Our theoretical analysis explains why the method has a small-sample advantage.
Authors: Hak Geun Lee
Abstract: This paper analyzes identifiability and stability for the drifting field underlying distributional matching in the Generative Drifting framework of Deng et al. First, we introduce the class of companion-elliptic kernels, which includes the Laplace kernel and is characterized by a second-order elliptic coupling between each kernel $\kappa$ in this class and its companion function $\eta$. For each kernel in this class and each pair of Borel probability measures, we prove that the drifting field vanishes if and only if the two probability measures are equal. We further show that this class consists precisely of Gaussian kernels and Mat\'ern kernels with $\nu \ge 1/2$. Second, by constructing counterexamples, we exhibit sequences for which mass escapes to infinity while the field tends to zero; in particular, control of the field norm alone does not guarantee weak convergence. Nevertheless, we prove that the only possible mode of failure is confined to the one-dimensional ray $\{c\,p:0\le c\le 1\}$. Consequently, weak convergence can be restored by imposing an asymptotic lower bound on the intrinsic overlap scalar, a linear observable defined by the kernel and the target measure.
Authors: Zhisong Qiu, Shuofei Qiao, Kewei Xu, Yuqi Zhu, Lun Du, Ningyu Zhang, Huajun Chen
Abstract: Process Reward Models (PRMs) have achieved remarkable success in augmenting the reasoning capabilities of Large Language Models (LLMs) within static domains such as mathematics. However, their potential in dynamic data analysis tasks remains underexplored. In this work, we first present a empirical study revealing that general-domain PRMs struggle to supervise data analysis agents. Specifically, they fail to detect silent errors, logical flaws that yield incorrect results without triggering interpreter exceptions, and erroneously penalize exploratory actions, mistaking necessary trial-and-error exploration for grounding failures. To bridge this gap, we introduce DataPRM, a novel environment-aware generative process reward model that (1) can serve as an active verifier, autonomously interacting with the environment to probe intermediate execution states and uncover silent errors, and (2) employs a reflection-aware ternary reward strategy that distinguishes between correctable grounding errors and irrecoverable mistakes. We design a scalable pipeline to construct over 8K high-quality training instances for DataPRM via diversity-driven trajectory generation and knowledge-augmented step-level annotation. Experimental results demonstrate that DataPRM improves downstream policy LLMs by 7.21% on ScienceAgentBench and 11.28% on DABStep using Best-of-N inference. Notably, with only 4B parameters, DataPRM outperforms strong baselines, and exhibits robust generalizability across diverse Test-Time Scaling strategies. Furthermore, integrating DataPRM into Reinforcement Learning yields substantial gains over outcome-reward baselines, achieving 78.73% on DABench and 64.84% on TableBench, validating the effectiveness of process reward supervision. Code is available at https://github.com/zjunlp/DataMind.
Authors: H. L. Dao
Abstract: In this work, we extend the class of previously introduced non-Euclidean neural quantum states (NQS) which consists only of Poincar\'e hyperbolic GRU, to new variants including Poincar\'e RNN as well as Lorentz RNN and Lorentz GRU. In addition to constructing and introducing the new non-Euclidean hyperbolic NQS ansatzes, we generalized the results of our earlier work regarding the definitive outperformances delivered by hyperbolic Poincar\'e GRU NQS ansatzes when benchmarked against their Euclidean counterparts in the Variational Monte Carlo (VMC) experiments involving the quantum many-body settings of the Heisenberg $J_1J_2$ and $J_1J_2J_3$ models, which exhibit hierarchical structures in the forms of the different degrees of nearest-neighbor interactions. Here, in particular, using larger systems consisting of 100 spins, we found that all four hyperbolic RNN/GRU NQS variants always outperformed their respective Euclidean counterparts. Specifically, for all $J_2$ and $(J_2,J_3)$ couplings considered, including $J_2=0.0$, Lorentz RNN NQS and Poincar\'e RNN NQS always outperformd Euclidean RNN NQS, while Lorentz/Poincar\'e GRU NQS always outperformed Euclidean GRU NQS, with a single exception when $J_2=0.0$ for Poincar\'e GRU NQS. Furthermore, among the four hyperbolic NQS ansatzes, depending on the specific $J_2$ or $(J_2, J_3)$ couplings, on four out of eight experiment settings, Lorentz GRU and Poincar\'e GRU took turns to be the top performing variant among all Euclidean and hyperbolic NQS ansatzes considered, while Lorentz RNN, with up to three times fewer parameters, was capable of not only surpassing the Euclidean GRU eight out of eight times but also outperforming both Lorentz GRU and Poincar\'e GRU four out of eight times, to emerge as the best overall hyperbolic NQS ansatz.
Authors: Yangping Li, Thomas Pinetz, Michael H\"olzel, Marieta Toma, Alexander Effland
Abstract: In pathology, the spatial distribution and proportions of tissue types are key indicators of disease progression, and are more readily available than fine-grained annotations. However, these assessments are rarely mapped to pixel-wise segmentation. The task is fundamentally underdetermined, as many spatially distinct segmentations can satisfy the same global proportions in the absence of pixel-wise constraints. To address this, we introduce Variational Segmentation from Label Proportions (VSLP), a two-stage framework that infers dense segmentations from global label proportions, without any pixel-level annotations. This framework first leverages a pre-trained transformer model with test-time augmentation to produce a pixel-wise confidence estimate. In the second stage, these estimates are fused by solving a variational optimization problem that incorporates a Wasserstein data fidelity term alongside a learned regularizer. Unlike end-to-end networks, our variational method can visualize the fidelity-regularization energy, resulting in more interpretable segmentation. We validate our approach on two public datasets, achieving superior performance over existing weakly supervised and unsupervised methods. For one of these datasets, proportions have been estimated by an experienced pathologist to provide a realistic benchmark to the community. Furthermore, the method scales to an in-house dataset with noisy pathologist labels, severely outperforming state-of-the-art methods, thereby demonstrating practical applicability. The code and data will be made publicly available upon acceptance at https://github.com/xiaoliangpi/VSLP.
Authors: Daniel Fritz, Dimitrios Lagamtzis, Michael Mink, Markus Enzweiler, Steffen Schober
Abstract: The continuous advancement of autonomous driving (AD) introduces challenges across multiple disciplines to ensure safe and efficient driving. One such challenge is the generation of High-Definition (HD) maps, which must remain up to date and highly accurate for downstream automotive tasks. One promising approach is the use of crowdsourced data from a vehicle fleet, representing road topology and lane-level features. This work focuses on the generation of centerlines and lane dividers from crowdsourced vehicle trajectories. We adopt a Detection Transformer (DETR)-based approach, where a rasterized representation of vehicle trajectories is used as input to predict vectorized lane representations. Each lane consists of a centerline with an associated direction and corresponding lane dividers that are geometrically constrained by the centerline. Our method includes the extraction of local tiles, from which crowdsourced vehicle trajectories are aggregated. Each tile undergoes a transformation into a rasterized representation encoding both the presence and direction of each trajectory, enabling the prediction of vectorized directed lanes. Experiments are conducted on an internal dataset as well as on the public datasets nuScenes and nuPlan.
Authors: Olivier Bournez
Abstract: What do recurrent neural networks, polynomial ODEs, and discrete polynomial maps each bring to computation, and what do they lack? All three operate over the continuum--real-valued states evolved by real-valued dynamics--even when the target functions are discrete. We study them through primitive recursion. We prove that primitive recursion admits equivalent characterizations in all three frameworks: bounded iteration of a fixed recurrent ReLU network, robust computation by a fixed polynomial ODE, and iteration of a fixed polynomial map with an externally supplied step-size parameter. In each, the time bound is itself primitive recursive, composition emerges from the dynamics rather than as a closure rule, and inputs are raw integer vectors. Every primitive recursive function is first compiled into bounded iteration of a single threshold-affine normal form, then interpreted as a ReLU computation and as a polynomial ODE. The equivalences expose a structural asymmetry: no fixed polynomial map can round uniformly to the nearest integer or realize exact phase selection--operations polynomial ODEs perform robustly via continuous-time flow. Each formalism compensates for a limitation the others lack: the ReLU gate provides exact branching, continuous time provides autonomous rounding and control, and the step-size parameter recovers both at the cost of discretization precision. This opens dynamical characterizations of subrecursive hierarchies and complexity classes by restricting time bounds, polynomial degrees, or discretization resources within one framework. More broadly, these models do not compute by composing subroutines: they shape the trajectory of a dynamical system through clocks, phase selectors, and error correction built into the dynamics. This differs structurally from symbolic programming, and our theorem gives a precise framework to study the difference.
Authors: No\'emie Cohen (Airbus CR\&T), M\'elanie Ducoffe (Airbus CR\&T), Christophe Gabreau, Claire Pagetti, Xavier Pucel
Abstract: Safety-critical applications are required to perform as expected in normal operations. Image processing functions are often required to be insensitive to small geometric perturbations such as rotation, scaling, shearing or translation. This paper addresses the formal verification of neural networks against geometric perturbations on their image dataset. Our method Super-DeepG improves the reasoning used in linear relaxation techniques and Lipschitz optimization, and provides an implementation that leverages GPU hardware. By doing so, Super-DeepG achieves both precision and computational efficiency of robustness certification, to an extent that outperforms prior work. Super-DeepG is shared as an open-source tool on GitHub.
Authors: Sahil Al Farib, Sheikh Redwanul Islam, Azizur Rahman Anik
Abstract: In the noisy intermediate-scale quantum (NISQ) regime, quantum devices contain hardware-specific noise sources which restrict device-invariant error mitigation strategies. We explore transfer learning approaches to apply noise models learned on one quantum device to a different device with the help of a small amount of data. We create a real-hardware dataset from two IBM quantum devices, ibm_fez (source) and ibm_marrakesh (target), comprising 170 noisy and ideal circuit output distributions, with device calibration features added. We train a residual neural network on the source device to map noisy to ideal outcomes. The zero-shot transfer test shows a KL divergence of 1.6706 (up from 0.3014), establishing device specificity. With K = 20 fine-tuning samples, KL drops to 1.1924 (28.6% improvement over zero-shot), recovering 34.9% of the gap between zero-shot and in-domain KL. Ablation studies reveal that the major cause of mismatches across devices is CX gate error, followed by readout error. The results show quantum noise can be learned and fine-tuned with minimal samples, and provide a plausible approach to cross-device quantum error mitigation.
Authors: Jason Ramapuram, Eeshan Gunesh Dhekane, Amitis Shidani, Dan Busbridge, Bogdan Mazoure, Zijin Gu, Russ Webb, Tatiana Likhomanenko, Navdeep Jaitly
Abstract: Speech-only spoken language models (SLMs) lag behind text and text-speech models in performance, with recent discrete autoregressive (AR) SLMs indicating significant computational and data demands to match text models. Since discretizing continuous speech for AR creates bottlenecks, we explore whether continuous diffusion (CD) SLM is more viable. To quantify the SLMs linguistic quality, we introduce the phoneme Jensen-Shannon divergence (pJSD) metric. Our analysis reveals CD SLMs, mirroring AR behavior, exhibit scaling laws for validation loss and pJSD, and show optimal token-to-parameter ratios decreasing as compute scales. However, for the latter, loss becomes insensitive to choice of data and model sizes, showing potential for fast inference. Scaling CD SLMs to 16B parameters with tens of millions of hours of conversational data enables generation of emotive, prosodic, multi-speaker, multilingual speech, though achieving long-form coherence remains a significant challenge.
Authors: Chenglong Chu, Guorui Zhou, Guowang Zhang, Han Li, Hao Peng, Hongtao Cheng, Jian Liang, Jiangxia Cao, Kun Gai, Lingzhi Zhou, Lu Ren, Qi Zhang, Ruiming Tang, Ruitao Wang, Xinchen Luo, Yi Su, Zhiyuan Liang, Ziqi Wang, Boyang Ding, Chengru Song, Dunju Zang, Hui Wang, Jiao Ou, Jiaxin Deng, Jijun Shi, Jinghao Zhang, Junmin Chen, Lejian Ren, Minxuan Lv, Qianqian Wang, Qigen Hu, Shiyao Wang, Siyang Mao, Tao Wang, Xingmei Wang, Zhixin Ling, Ziming Li, Zixing Zhang
Abstract: Long-context ability, has become one of the most important iteration direction of next-generation Large Language Models, particularly in semantic understanding/reasoning, code agentic intelligence and recommendation system. However, the standard softmax attention exhibits quadratic time complexity with respect to sequence length. As the sequence length increases, this incurs substantial overhead in long-context settings, leading the training and inference costs of extremely long sequences deteriorate rapidly. Existing solutions mitigate this issue through two technique routings: i) Reducing the KV cache per layer, such as from the head-level compression GQA, and the embedding dimension-level compression MLA, but the KV cache remains linearly dependent on the sequence length at a 1:1 ratio. ii) Interleaving with KV Cache friendly architecture, such as local attention SWA, linear kernel GDN, but often involve trade-offs among KV Cache and long-context modeling effectiveness. Besides the two technique routings, we argue that there exists an intermediate path not well explored: {Maintaining a linear relationship between the KV cache and sequence length, but performing semantic-level compression through a specific ratio $k$}. This $O(n/k)$ path does not pursue a ``minimum KV cache'', but rather trades acceptable memory costs for complete, referential, and interpretable retention of long distant dependency. Motivated by this, we propose Kwai Summary Attention (KSA), a novel attention mechanism that reduces sequence modeling cost by compressing historical contexts into learnable summary tokens.
Authors: Wadhah Zai El Amri, Nicol\'as Navarro-Guerrero
Abstract: Training machine learning models for robotic tactile sensing requires vast amounts of data, yet obtaining realistic interaction data remains a challenge due to physical complexity and variability. Simulating tactile sensors is thus a crucial step in accelerating progress. This paper presents SPLIT, a novel method for simulating image-based tactile sensors, with a primary focus on the DIGIT sensor. Central to our approach is a latent space arithmetic strategy that explicitly disentangles contact geometry from sensor-specific optical properties. Unlike methods that require recalibration for every new unit, this disentanglement allows SPLIT to adapt to diverse DIGIT backgrounds and even transfer data to distinct sensors like the GelSight R1.5 without full model retraining. Beyond this adaptability, our approach achieves faster inference speeds than existing alternatives. Furthermore, we provide a calibrated finite element method (FEM) soft-body mesh simulation with variable resolution, offering a tunable trade-off between speed and fidelity. Additionally, our algorithm supports bidirectional simulation, allowing for both the generation of realistic images from deformation meshes and the reconstruction of meshes from tactile images. This versatility makes SPLIT a valuable tool for accelerating progress in robotic tactile sensing research.
Authors: Zihan Liu, Yizhen Wang, Rui Wang, Xiu Tang, Sai Wu
Abstract: Fine-tuning unlocks large language models (LLMs) for specialized applications, but its high computational cost often puts it out of reach for resource-constrained organizations. While cloud platforms could provide the needed resources, data privacy concerns make sharing sensitive information with third parties risky. A promising solution is split learning for LLM fine-tuning, which divides the model between clients and a server, allowing collaborative and secure training through exchanged intermediate data, thus enabling resource-constrained participants to adapt LLMs safely. % In light of this, a growing body of literature has emerged to advance this paradigm, introducing varied model methods, system optimizations, and privacy defense-attack techniques for split learning. To bring clarity and direction to the field, a comprehensive survey is needed to classify, compare, and critique these diverse approaches. This paper fills the gap by presenting the first extensive survey dedicated to split learning for LLM fine-tuning. We propose a unified, fine-grained training pipeline to pinpoint key operational components and conduct a systematic review of state-of-the-art work across three core dimensions: model-level optimization, system-level efficiency, and privacy preservation. Through this structured taxonomy, we establish a foundation for advancing scalable, robust, and secure collaborative LLM adaptation.
Authors: Wenxuan Yang, Xiaoyang Xu, Hanyu Zhang, Zhexuan Xu, Wanqiang Xiong, Zhaoqun Chen
Abstract: Multi-behavior recommendation aims to predict user conversions by modeling various interaction types that carry distinct intent signals. Recently, generative sequence modeling methods have emerged as an important paradigm for multi-behavior recommendation by achieving flexible sequence generation. However, existing generative methods typically treat behaviors as auxiliary token features and feed them into unified attention mechanisms. These models implicitly assume uniform activation of dependencies among historical behaviors, thereby failing to discern differences in intensity or capture transition patterns. To address these limitations, we propose BITRec, a novel generative multi-behavior recommendation framework that introduces structured behavioral modeling through selective dependency activation. BITRec incorporates (i) Hierarchical Behavior Aggregation (HBA), which explicitly models behavioral intensity differences through separated exploration and commitment pathways, and (ii) Transition Relation Encoding (TRE), which encodes transition structures through explicit learnable relation matrices. Experiments on four large-scale datasets (RetailRocket, Taobao, Tmall, Insurance Dataset) with millions of interactions achieve consistent improvements of 15-23% across multiple metrics, with peak gains of 22.79% MRR on Tmall and 17.83% HR@10, 17.55% NDCG@10 on Taobao.
Authors: Parampuneet Kaur Thind, Vaibhav Katturu, Giacomo Zema, Roberto Del Prete
Abstract: Designing deep networks that meet strict latency and accuracy constraints on edge accelerators increasingly relies on hardware-aware optimization, including neural architecture search (NAS) guided by device-level metrics. Yet most hardware-aware NAS pipelines still optimize architectures under full-precision assumptions and apply low-precision adaptation only after the search, leading to a mismatch between optimization-time behavior and deployment-time execution on low-precision hardware that can substantially degrade accuracy. We address this limitation by integrating deployment-aligned low-precision training directly into hardware-aware NAS. Candidate architectures are exposed to FP16 numerical constraints during fine-tuning and evaluation, enabling joint optimization of architectural efficiency and numerical robustness without modifying the search space or evolutionary strategy. We evaluate the proposed framework on vessel segmentation for spaceborne maritime monitoring, targeting the Intel Movidius Myriad X Visual Processing Unit (VPU). While post-training precision conversion reduces on-device performance from 0.85 to 0.78 mIoU, deployment-aligned low-precision training achieves 0.826 mIoU on-device for the same architecture (95,791 parameters), recovering approximately two-thirds of deployment-induced accuracy gap without increasing model complexity. These results demonstrate that incorporating deployment-consistent numerical constraints into hardware-aware NAS substantially improves robustness and alignment between optimization and deployment for resource-constrained edge Artificial Intelligence (AI).
Authors: Siavash Golkar, Jake Kovalic, Irina Espejo Morales, Samuel Sledzieski, Minhuan Li, Ksenia Sokolova, Geraud Krawezik, Alberto Bietti, Claudia Skok Gibbs, Roman Klypa, Shengwei Xiong, Francois Lanusse, Liam Parker, Kyunghyun Cho, Miles Cranmer, Tom Hehir, Michael McCabe, Lucas Meyer, Rudy Morel, Payel Mukhopadhyay, Mariel Pettee, Helen Qu, Jeff Shen, David Fouhey, Hadi Sotoudeh, Vikram Mulligan, Pilar Cossio, Sonya M. Hanson, Alisha N. Jones, Olga G. Troyanskaya, Shirley Ho
Abstract: Biological function emerges from coupled constraints across sequence, structure, regulation, evolution, and cellular context, yet most foundation models in biology are trained within one modality or for a fixed forward task. We present MIMIC, a generative multimodal foundation model trained on our newly curated and aligned dataset, LORE, linking nucleic acid, protein, evolutionary, structural, regulatory, and semantic/contextual modalities within partially observed biomolecular states. MIMIC uses a split-track encoder-decoder architecture to condition on arbitrary subsets of observed modalities and reconstruct or generate missing components of molecular state across the genome, transcriptome, and proteome. Multimodal conditioning consistently improves MIMIC's sequence reconstruction relative to sequence-only inputs, while its learned representations enable state-of-the-art performance on RNA and protein downstream tasks. MIMIC achieves state-of-the-art splicing prediction, and its joint generative formulation enables isoform-aware inference that further improves performance. Beyond prediction, the same generative framework supports constrained design. For RNA, MIMIC identifies corrective edits in a clinically relevant HBB splice-disrupting mutation without reverting it by using evolutionary and structural signals. For proteins, jointly conditioning on shape and surface chemistry of PD-L1 and hACE2 binding sites produces diverse, high-confidence sequences with strong in silico support for target binding. Finally, MIMIC uses experimental context as semantic conditioning to model assay-dependent RNA chemical probing, rather than treating context as a fixed output. Together, these results position MIMIC's aligned multimodal generative modeling as a strong foundation for unifying representation learning, conditional prediction, and constrained biomolecular design within a single model.
Authors: Alexandra Carpentier, Michal Valko
Abstract: In many areas of medicine, security, and life sciences, we want to allocate limited resources to different sources in order to detect extreme values. In this paper, we study an efficient way to allocate these resources sequentially under limited feedback. While sequential design of experiments is well studied in bandit theory, the most commonly optimized property is the regret with respect to the maximum mean reward. However, in other problems such as network intrusion detection, we are interested in detecting the most extreme value output by the sources. Therefore, in our work we study extreme regret which measures the efficiency of an algorithm compared to the oracle policy selecting the source with the heaviest tail. We propose the ExtremeHunter algorithm, provide its analysis, and evaluate it empirically on synthetic and real-world experiments.
Authors: Steven Szachara, Sheeraja Rajakrishnan, Dylan Jay Van Allen, Jason Pollack, Travis Desell, Daniel Krutz
Abstract: Quantum error mitigation (QEM) is essential for extracting reliable results from near-term quantum devices, yet practical deployments must balance mitigation strength against runtime overhead under time-varying noise. We introduce \emph{GSC-QEMit}, a telemetry-driven, \textbf{context--forecast--bandit} framework for \emph{adaptive} mitigation that switches between lightweight suppression and heavier intervention as drift evolves. GSC-QEMit composes three coupled modules: (G) a Growing Hierarchical Self-Organizing Map (GHSOM) that clusters streaming telemetry into operating contexts; (S) an uncertainty-aware subsampled Gaussian-process forecaster that predicts short-horizon fidelity degradation; and (C) a cost-aware contextual multi-armed bandit (CMAB) that selects mitigation actions via Thompson sampling with explicit intervention cost. We evaluate GSC-QEMit on benchmark circuit families (GHZ, Quantum Fourier Transform, and Grover search) under nonstationary noise regimes simulated in Qiskit Aer, using an instrumented testbed where action labels correspond to graded mitigation intensity. Across Clifford, non-Clifford, and structured workloads, GSC-QEMit improves average logical fidelity by \textbf{+9.0\%} relative to unmitigated execution while reducing unnecessary heavy interventions by reserving them for inferred noise spikes. The resulting policies exhibit a favorable fidelity--cost trade-off and transfer across the evaluated workloads without circuit-specific tuning.
Authors: Michael Tryfan Matthews, Anssi Kanervisto, Jakob Foerster, Pierluca D'Oro, Scott Fujimoto, Mikael Henaff
Abstract: Recent work in hierarchical reinforcement learning has shown success in scaling to billions of timesteps when learning over a set of predefined option reward functions. We show that, instead of using a single reward function per option, the reward functions can be effectively used to induce a space of behaviours, by letting the controller specify linear combinations over reward functions, allowing a more expressive set of policies to be represented. We call this method Hierarchical Behaviour Spaces (HBS). We evaluate HBS on the NetHack Learning Environment, demonstrating strong performance. We conduct a series of experiments and determine that, perhaps going against conventional wisdom, the benefits of hierarchy in our method come from increased exploration rather than long term reasoning.
Authors: Mihail Bogojeski, Muhammad R. Hasyim, Leslie Vogt-Maranto, Klaus-Robert M\"uller, Kieron Burke, Mark E. Tuckerman
Abstract: Machine-learning interatomic potentials (MLIPs) have enabled molecular dynamics at near ab initio accuracy, yet remain limited to energies and forces by construction, leaving electronic observables such as dipole moments and polarizabilities inaccessible. We introduce DenSNet, a density-first approach to machine-learned electronic structure that learns the Hohenberg--Kohn map from nuclear configurations to the ground-state electron density. Our approach employs an SE(3)-equivariant neural network to predict density coefficients of a flexible atom-centered Gaussian basis, combined with a $\Delta$-learning strategy that uses superposed atomic densities as a prior to accelerate training. A second equivariant network then maps the predicted density to the total energy, providing a unified framework for molecular dynamics and electronic structure. We validate DenSNet on ethanol, ethanethiol, and resorcinol, where infrared spectra from machine-learned trajectories show excellent agreement with experimental gas-phase measurements. To test scalability, we train on polythiophene oligomers with 1--6 monomers and extrapolate to chains of up to 12 monomers, generating stable long-time trajectories whose infrared spectra agree with reference density functional theory calculations. Here, we show that reinstating the electron density as the central learned quantity opens a practical route to transferable prediction of spectroscopic and electronic observables in large-scale molecular simulations.
Authors: Zhuoling Li, Ha Linh Hong Tran Nguyen, Valeria Bladinieres, Maxim Romanovsky
Abstract: Graph-based Retrieval-Augmented Generation (GraphRAG) extends traditional RAG by using knowledge graphs (KGs) to give large language models (LLMs) a structured, semantically coherent context, yielding more grounded answers. However, GraphRAG reasoning process remains a black-box, limiting our ability to understand how specific pieces of structured knowledge influence the final output. Existing explainability (XAI) methods for RAG systems, designed for text-based retrieval, are limited to interpreting an LLM response through the relational structures among knowledge components, creating a critical gap in transparency and trustworthiness. To address this, we introduce XGRAG, a novel framework that generates causally grounded explanations for GraphRAG systems by employing graph-based perturbation strategies, to quantify the contribution of individual graph components on the model answer. We conduct extensive experiments comparing XGRAG against RAG-Ex, an XAI baseline for standard RAG, and evaluate its robustness across various question types, narrative structures and LLMs. Our results demonstrate a 14.81% improvement in explanation quality over the baseline RAG-Ex across NarrativeQA, FairyTaleQA, and TriviaQA, evaluated by F1-score measuring alignment between generated explanations and original answers. Furthermore, XGRAG explanations exhibit a strong correlation with graph centrality measures, validating its ability to capture graph structure. XGRAG provides a scalable and generalizable approach towards trustworthy AI through transparent, graph-based explanations that enhance the interpretability of RAG systems.
Authors: Shiyi Zhang, Yiji Cheng, Tiankai Hang, Zijin Yin, Runze He, Yu Xu, Wenxun Dai, Yunlong Lin, Chunyu Wang, Qinglin Lu, Yansong Tang
Abstract: Unified multi-modal understanding/generative models have shown improved image editing performance by incorporating fine-grained understanding into their Chain-of-Thought (CoT) process. However, a critical question remains underexplored: what forms of CoT and training strategy can jointly enhance both the understanding granularity and generalization? To address this, we propose Meta-CoT, a paradigm that performs a two-level decomposition of any single-image editing operation with two key properties: (1) Decomposability. We observe that any editing intention can be represented as a triplet - (task, target, required understanding ability). Inspired by this, Meta-CoT decomposes both the editing task and the target, generating task-specific CoT and traversing editing operations on all targets. This decomposition enhances the model's understanding granularity of editing operations and guides it to learn each element of the triplet during training, substantially improving the editing capability. (2) Generalizability. In the second decomposition level, we further break down editing tasks into five fundamental meta-tasks. We find that training on these five meta-tasks, together with the other two elements of the triplet, is sufficient to achieve strong generalization across diverse, unseen editing tasks. To further align the model's editing behavior with its CoT reasoning, we introduce the CoT-Editing Consistency Reward, which encourages more accurate and effective utilization of CoT information during editing. Experiments demonstrate that our method achieves an overall 15.8% improvement across 21 editing tasks, and generalizes effectively to unseen editing tasks when trained on only a small set of meta-tasks. Our code, benchmark, and model are released at https://shiyi-zh0408.github.io/projectpages/Meta-CoT/
Authors: Simon Axelrod, Miroslav Ka\v{s}par, Krist\'yna Jel\'inkov\'a, Mark\'eta \v{S}m\'idkov\'a, Erika Bart\r{u}\v{n}kov\'a, Sille \v{S}t\v{e}p\'anov\'a, Eugene Shakhnovich, V\'aclav Ka\v{s}i\v{c}ka, Martin Dra\v{c}\'insk\'y, Zlatko Janeba, Rafael G\'omez-Bombarelli
Abstract: Light-activated drugs are a promising way to treat localized diseases for which existing treatments have severe side effects. However, their development is complicated by the set of photophysical and biological properties that must be simultaneously optimized. Here we used computational techniques to find a set of promising candidates for the photoactive inhibition of the poly(ADP-ribose) polymerase 1 (PARP1) cancer target. Using our recently developed methods based on atomistic simulation and machine learning (ML), we screened a set of 5 million hypothetical photoactive ligands. Our workflow used protein-ligand docking to identify candidates with differential PARP1 binding under light and dark conditions; ML force fields and quantum chemistry calculations to predict p$K_\mathrm{a}$, absorption spectra, and thermal half-lives; graph-based surrogate models to screen additional compounds; excited-state nonadiabatic dynamics with ML force fields to estimate quantum yields; and free energy perturbation (FEP) to refine binding predictions. From these predictions, we prioritized a small set of synthetically feasible candidates expected to have red-shifted absorption spectra, thermal half-lives on the order of seconds to minutes, and isomer-dependent PARP1 binding under visible-light control. We synthesized 10 candidates and experimentally characterized their photobehavior and PARP1 inhibition constants. Among the validated compounds, \textbf{1} showed a 15-fold increase in inhibition of PARP1 upon green-light irradiation at 519 nm (208.8 $\pm$ 28.3 $\mu$M vs 14.4 $\pm$ 1.9 $\mu$M). These results validate the computation-guided screening strategy for identifying red-shifted PARP1 photoinhibitors, while also underscoring current limitations such as rapid thermal relaxation in aqueous media.
Authors: Daniel Cao, Beixi Du, Andrew Lowitt, Sunmook Choi, Sarah Dean, Yahya Sattar
Abstract: We study finite-horizon quadratic control of linear systems with bilinear observations, in which the control input affects not only the state dynamics but also the partial observations of the state. In this setting, the separation principle can fail because control inputs influence the future quality of state estimates. State estimation requires an input-dependent Kalman filter whose gain and error covariance evolve as functions of the control inputs. To address this challenge, we propose a belief-space model predictive control ($\texttt{B-MPC}$) method that plans directly over both the estimated state and its error covariance. In particular, $\texttt{B-MPC}$ plans with a deterministic surrogate of the belief evolution defined by the input-dependent Kalman filter. Through numerical experiments in two synthetic settings, we show that $\texttt{B-MPC}$ can outperform both the separation-principle controller and its MPC variant in favorable regimes, and that these gains are accompanied by lower estimation covariance and more uncertainty-aware action choices.
Authors: Zhenyu Zhao, Aparna Balagopalan, Adi Agrawal, Dilshoda Yergasheva, Waseem Alshikh, Daniel M. Bikel
Abstract: Given the increased use of LLMs in financial systems today, it becomes important to evaluate the safety and robustness of such systems. One failure mode that LLMs frequently display in general domain settings is that of sycophancy. That is, models prioritize agreement with expressed user beliefs over correctness, leading to decreased accuracy and trust. In this work, we focus on evaluating sycophancy that LLMs display in agentic financial tasks. Our findings are three-fold: first, we find the models show only low to modest drops in performance in the face of user rebuttals or contradictions to the reference answer, which distinguishes sycophancy that models display in financial agentic settings from findings in prior work. Second, we introduce a suite of tasks to test for sycophancy by user preference information that contradicts the reference answer and find that most models fail in the presence of such inputs. Lastly, we benchmark different modes of recovery such as input filtering with a pretrained LLM.
Authors: Fredrik K. Gustafsson, Constance Boissin, Johan Vallon-Christersson, David A. Clifton, Mattias Rantalainen
Abstract: Pathology foundation models (PFMs) have recently emerged as powerful pretrained encoders for computational pathology, enabling transfer learning across a wide range of downstream tasks. However, systematic comparisons of these models for clinically meaningful prediction problems remain limited, especially in the context of survival prediction under external validation. In this study, we benchmark widely used and recently proposed PFMs for breast cancer survival prediction from whole-slide histopathology images. Using a standardized pipeline based on patch-level feature extraction and a unified survival modeling framework, we evaluate model representations across three independent clinical cohorts comprising more than 5,400 patients with long-term follow-up. Models are trained on one cohort and evaluated on two independent external cohorts, enabling a rigorous assessment of cross-dataset generalization. Overall, H-optimus-1 achieves the strongest survival prediction performance. More broadly, we observe consistent generational improvements across model families, with second-generation PFMs outperforming their first-generation counterparts. However, absolute performance differences between many recent PFMs remain modest, suggesting diminishing returns from further scaling of pretraining data or model size alone. Notably, the compact distilled model H0-mini slightly outperforms its larger teacher model H-optimus-0, despite using fewer than 8% of the parameters and enabling significantly faster feature extraction. Together, these results provide the first large-scale, externally validated benchmark of PFMs for breast cancer survival prediction, and offer practical guidance for efficient deployment of PFMs in clinical workflows.
Authors: Max Kleinebrahm, Jonathan Berrisch, Philipp Eiser, Wolf Fichtner, Veit Hagenmeyer, Matthias Hertel, Nils Koster, Sebastian Lerch, Ralf Mikut, Jan Priesmann, Melanie Schienle, Benjamin Schaefer, Jann Weinand, Florian Ziel
Abstract: Energy forecasting research faces a persistent comparability gap that makes it difficult to measure consistent progress over time. Reported accuracy gains are often not directly comparable because models are evaluated under study-specific datasets, time periods, information sets, and scoring setups, while widely used benchmarks and competition datasets are typically tied to fixed historical windows. This paper introduces the Energy-Arena, a dynamic benchmarking platform for operational energy time series forecasting that provides a continuously updated reference point as energy systems evolve. The platform operates as an open, API-based submission system and standardizes challenge definitions and submission deadlines aligned with operational constraints. Performance is reported on rolling evaluation windows via persistent leaderboards. By moving from retrospective backtesting to forward-looking benchmarking, the Energy-Arena enforces standardized ex-ante submission and ex-post evaluation, thereby improving transparency by preventing information leakage and retroactive tuning. The platform is publicly available at Energy-Arena.org.
Authors: Tobias A. Farger, Adam W. Hall, Angela P. Schoellig
Abstract: Learning-based control techniques use data from past trajectories to control systems with uncertain dynamics. However, learning-based controllers are often computationally inefficient, limiting their practicality. To address this limitation, we propose a learning-based controller that exploits differential flatness, a property of many robotic systems. Recent research on using flatness for learning-based control either is limited in that it (i) ignores input constraints, (ii) applies only to single-input systems, or (iii) is tailored to specific platforms. In contrast, our approach uses a system extension and block-diagonal cost formulation to control general multi-input, nonlinear, affine systems. Furthermore, it satisfies input and half-space flat state constraints and guarantees probabilistic Lyapunov decrease using only two sequential convex optimizations. We show that our approach performs similarly to, but is multiple times more efficient than, a Gaussian process model predictive controller in simulation, and achieves competitive tracking in real hardware experiments.
Authors: Parsa Ashrafi Fashi, Utkarsh Saxena, Mehdi Rezagholizadeh, Aref Jafari, Akash Haridas, Mingyu Yang, Vansh Bhatia, Guihong Li, Vikram Appia, Emad Barsoum
Abstract: Hybrid sequence models that combine efficient Transformer components with linear sequence modeling blocks are a promising alternative to pure Transformers, but most are still pretrained from scratch and therefore fail to reuse existing Transformer checkpoints. We study upcycling as a practical path to convert pretrained Transformer LLMs into hybrid architectures while preserving short-context quality and improving long-context capability. We call our solution \emph{HyLo} (HYbrid LOng-context): a long-context upcycling recipe that combines architectural adaptation with efficient Transformer blocks, Multi-Head Latent Attention (MLA), and linear blocks (Mamba2 or Gated DeltaNet), together with staged long-context training and teacher-guided distillation for stable optimization. HyLo extends usable context length by up to $32\times$ through efficient post-training and reduces KV-cache memory by more than $90\%$, enabling up to 2M-token prefill and decoding in our \texttt{vLLM} inference stack, while comparable Llama baselines run out of memory beyond 64K context. Across 1B- and 3B-scale settings (Llama- and Qwen-based variants), HyLo delivers consistently strong short- and long-context performance and significantly outperforms state-of-the-art upcycled hybrid baselines on long-context evaluations such as RULER. Notably, at similar scale, HyLo-Qwen-1.7B trained on only 10B tokens significantly outperforms JetNemotron (trained on 400B tokens) on GSM8K, Lm-Harness common sense reasoning and RULER-64K.
Authors: Griffin Pitts, Muntasir Hoq, Peter Brusilovsky, Narges Norouzi, Arto Hellas, Juho Leinonen, Bita Akram
Abstract: Adaptive programming practice often relies on fixed libraries of worked examples and practice problems, which require substantial authoring effort and may not correspond well to the logical errors and partial solutions students produce while writing code. As a result, students may receive learning content that does not directly address the concepts they are working to understand, while instructors must either invest additional effort in expanding content libraries or accept a coarse level of personalization. We present an approach for knowledge-component (KC) guided educational content generation using pattern-based KCs extracted from student code. Given a problem statement and student submissions, our pipeline extracts recurring structural KC patterns from students' code through AST-based analysis and uses them to condition a generative model. In this study, we apply this approach to worked example generation, and compare baseline and KC-conditioned outputs through expert evaluation. Results suggest that KC-conditioned generation improves topical focus and relevance to learners' underlying logical errors, providing evidence that KC-based steering of generative models can support personalized learning at scale.
Authors: Danni Peng, Sinno Jialin Pan
Abstract: To address distribution shifts between training and test data, domain generalization (DG) leverages multiple source domains to learn a model that generalizes well to unseen domains. However, existing DG methods often overfit to the source domains, partly due to the limited coverage of the expected region in feature space. Motivated by this, we propose performing mixup with data interpolation and extrapolation to cover potentially unseen regions. To prevent the detrimental effects of unconstrained extrapolation, we carefully design a policy to generate the instance weights, named Flatness-aware Gradient-based Mixup (FGMix). The policy relies on gradient-based compatibilities to assign greater weights to instances that carry more invariant information and learn the mixup policy towards flatter minima for better generalization. On the DomainBed benchmark, we validate the efficacy of various designs of FGMix and demonstrate its superiority over other DG algorithms.
Authors: Dhruv Patel, Hui Shen, Shankar Bhamidi, Yufeng Liu, Vladas Pipiras
Abstract: In the context of unsupervised learning, Lloyd's algorithm is one of the most widely used clustering algorithms. It has inspired a plethora of work investigating the correctness of the algorithm under various settings with ground truth clusters. In particular, in 2016, Lu and Zhou have shown that the mis-clustering rate of Lloyd's algorithm on $n$ independent samples from a sub-Gaussian mixture is exponentially bounded after $O(\log(n))$ iterations, assuming proper initialization of the algorithm. However, in many applications, the true samples are unobserved and need to be learned from the data via pre-processing pipelines such as spectral methods on appropriate data matrices. We show that the mis-clustering rate of Lloyd's algorithm on perturbed samples from a sub-Gaussian mixture is also exponentially bounded after $O(\log(n))$ iterations under the assumptions of proper initialization and that the perturbation is small relative to the sub-Gaussian noise. In canonical settings with ground truth clusters, we derive bounds for algorithms such as $k$-means$++$ to find good initializations and thus leading to the correctness of clustering via the main result. We show the implications of the results for pipelines measuring the statistical significance of derived clusters from data such as SigClust. We use these general results to derive implications in providing theoretical guarantees on the misclustering rate for Lloyd's algorithm in a host of applications, including high-dimensional time series, multi-dimensional scaling, and community detection for sparse networks via spectral clustering.
Authors: Ariel Neufeld, Philipp Schmocker
Abstract: We introduce a Banach space-valued extension of random feature learning, a data-driven supervised machine learning technique for large-scale kernel approximation. By randomly initializing the feature maps, only the linear readout needs to be trained, which reduces the computational complexity substantially. Viewing random feature models as Banach space-valued random variables, we prove a universal approximation result in the corresponding Bochner space. Moreover, we derive approximation rates and an explicit algorithm to learn an element of the given Banach space by such models. The framework of this paper includes random trigonometric/Fourier regression and in particular random neural networks which are single-hidden-layer feedforward neural networks whose weights and biases are randomly initialized, whence only the linear readout needs to be trained. For the latter, we can then lift the universal approximation property of deterministic neural networks to random neural networks, even within function spaces over non-compact domains, e.g., weighted spaces, $L^p$-spaces, and (weighted) Sobolev spaces, where the latter includes the approximation of the (weak) derivatives. In addition, we analyze when the training costs for approximating a given function grow polynomially in both the input/output dimension and the reciprocal of a pre-specified tolerated approximation error. Furthermore, we demonstrate in a numerical example the empirical advantages of random feature models over their deterministic counterparts.
Authors: Peiyu Yu, Dinghuai Zhang, Hengzhi He, Xiaojian Ma, Sirui Xie, Ruiyao Miao, Yifan Lu, Yasi Zhang, Deqian Kong, Ruiqi Gao, Jianwen Xie, Guang Cheng, Ying Nian Wu
Abstract: Noise Contrastive Estimation (NCE) has fueled major breakthroughs in representation learning and generative modeling. Yet a long-standing challenge remains: accurately estimating ratios between distributions that differ substantially, which significantly limits the applicability of NCE on modern high-dimensional and multimodal datasets. We revisit this problem from a less explored perspective: the magnitude of the noise distribution. Specifically, we show that with a virtually scaled (\ie, artificially increased) noise magnitude, the gradient of the NCE objective can closely align with that of Maximum Likelihood, enabling a trajectory-wise approximation from NCE to MLE, and faster convergence both theoretically and empirically. Building on this insight, we introduce ``Noisier'' NCE, a simple drop-in modification to vanilla NCE that incurs little to no extra computational cost, while effectively handling density-ratio estimation in challenging regimes where traditional MLE and NCE struggle. Beyond improving classical density-ratio learning, ``Noisier'' NCE proves broadly applicable: it achieves strong results across image modeling, anomaly detection, and offline black-box optimization. On CIFAR-10 and ImageNet64x64 datasets, it yields 10-step and even 1-step samplers that match or surpass state-of-the-art methods, while cutting training iterations by up to half.
Authors: Shiliang Zuo
Abstract: Machine learning has become increasingly popular in informing data-driven policy-making. Policies influence behavior in individuals or populations, and ideally, through observational signals, policy-makers learn which policies are effective. However, in many settings, individual actions cannot be perfectly observed. This issue, known in economics as moral hazard, poses a significant challenge. In this work, we study the foundational multitasking principal-agent contract design problem and demonstrate how instrumental regression and the generalized method of moments (GMM) estimator can be used to estimate or learn a good contract. As a bonus result, we also give a uniformity characterization of the shape of the optimal contract.
Authors: Yusif Ibrahimov, Tarique Anwar, Tommy Yuan
Abstract: Mental health constitutes a complex and pervasive global challenge, affecting millions of lives and often leading to severe consequences. In this paper, we conduct a thorough survey to explore the intersection of data science, artificial intelligence, and mental healthcare, focusing on the recent developments of mental disorder detection through online social media (OSM). A significant portion of the population actively engages in OSM platforms, creating a vast repository of personal data that holds immense potential for mental health analytics. The paper navigates through traditional diagnostic methods, state-of-the-art data- and AI-driven research studies, and the emergence of explainable AI (XAI) models for mental healthcare. We review state-of-the-art machine learning methods, particularly those based on modern deep learning, while emphasising the need for explainability in healthcare AI models. The experimental design section provides insights into prevalent practices, including available datasets and evaluation approaches. We also identify key issues and challenges in the field and propose promising future research directions. As mental health decisions demand transparency, interpretability, and ethical considerations, this paper contributes to the ongoing discourse on advancing XAI in mental healthcare through social media. The comprehensive overview presented here aims to guide researchers, practitioners, and policymakers in developing the area of mental disorder detection.
Authors: Nils Graef, Filip Makraduli, Andrew Wasielewski, Matthew Clapp
Abstract: Normalization layers are ubiquitous in large language models (LLMs) yet represent a compute bottleneck: on hardware with distinct vector and matrix execution units, the RMS calculation blocks the subsequent matrix multiplication, preventing parallel execution. We present FlashNorm, an exact reformulation of RMSNorm followed by a linear layer that (i) eliminates the normalization weights by folding them into the subsequent linear layer, and (ii) defers the scalar RMS normalization to the output of the matrix multiplication, enabling the two operations to execute in parallel. Additionally, by the scale invariance of RMS, an RMSNorm followed by a linear layer followed by another RMSNorm allows the first RMSNorm to be eliminated entirely -- a mathematically identical simplification that removes the pre-attention RMSNorm in models using QKV-normalization (e.g., Gemma~4) and in MLA-models with latent normalization (e.g., DeepSeek-V2, Mistral Small 4, and OpenMythos). The same techniques extend to LayerNorm, Dynamic Tanh (DyT), feed-forward networks with GLU variants, and RoPE-based attention. On an NVIDIA T4 GPU, FlashNorm achieves 33 - 35% lower latency on the norm-then-project operation in the compute-bound (prefill) regime at SmolLM2-135M scale, and 12 - 14% at Llama-7B scale. We verify zero-loss weight folding on three models. Beyond inference speed, FlashNorm simplifies model implementations by reducing parameter tensor count. Watch our explainer video https://youtu.be/GEuJv34_XgU?si and see https://github.com/OpenMachine-ai/transformer-tricks for code.
URLs: https://youtu.be/GEuJv34_XgU?si, https://github.com/OpenMachine-ai/transformer-tricks
Authors: Phuong Quynh Le, J\"org Schl\"otterer, Christin Seifert
Abstract: Machine learning models are known to learn spurious correlations, i.e., features having strong relations with class labels but no causal relation. Relying on those correlations leads to poor performance in the data groups without these correlations and poor generalization ability. To improve the robustness of machine learning models to spurious correlations, we propose an approach to extract a subnetwork from a fully trained network that does not rely on spurious correlations. The subnetwork is found by the assumption that data points with the same spurious attribute will be close to each other in the representation space when training with ERM, then we employ supervised contrastive loss in a novel way to force models to unlearn the spurious connections. The increase in the worst-group performance of our approach contributes to strengthening the hypothesis that there exists a subnetwork in a fully trained dense network that is responsible for using only invariant features in classification tasks, therefore erasing the influence of spurious features even in the setup of multi spurious attributes and no prior knowledge of attributes labels.
Authors: Emanuele Zappala, Maryam Bagherian
Abstract: We study the universal approximation properties of transformers and neural integral operators for operators in Banach spaces. In particular, we show that the transformer architecture is a universal approximator of integral operators between H\"older spaces. Moreover, we show that a generalized version of neural integral operators, based on the Gavurin integral, are universal approximators of arbitrary operators between Banach spaces. Lastly, we show that a modified version of transformer, which uses Leray-Schauder mappings, is a universal approximator of operators between arbitrary Banach spaces.
Authors: Kshitij Kayastha, Vasilis Gkatzelis, Shahin Jabbari
Abstract: Algorithmic recourse provides individuals who receive undesirable outcomes from machine learning systems with minimum-cost improvements to achieve a desirable outcome. However, machine learning models often get updated, so the recourse may not lead to the desired outcome. The robust recourse framework chooses recourses that are less sensitive to adversarial model changes, but this comes at a higher cost. To address this, we initiate the study of learning-augmented algorithmic recourse and evaluate the extent to which a designer equipped with a prediction of the future model can reduce the cost of recourse when the prediction is accurate (consistency) while also limiting the cost even when the prediction is inaccurate (robustness). We propose a novel algorithm, study the robustness-consistency trade-off, and analyze how prediction accuracy affects performance.
Authors: Zhaoxian Wu, Quan Xiao, Tayfun Gokmen, Hsinyu Tsai, Kaoutar El Maghraoui, Tianyi Chen
Abstract: Aiming to accelerate the training of large deep neural networks (DNN) in an energy-efficient way, analog in-memory computing (AIMC) emerges as a solution with immense potential. AIMC accelerator keeps model weights in memory without moving them from memory to processors during training, reducing overhead dramatically. Despite its efficiency, scaling up AIMC systems presents significant challenges. Since weight copying is expensive and inaccurate, data parallelism is less efficient on AIMC accelerators. It necessitates the exploration of pipeline parallelism, particularly asynchronous pipeline parallelism, which utilizes all available accelerators during the training process. This paper examines the convergence theory of stochastic gradient descent on AIMC hardware with an asynchronous pipeline (Analog-SGD-AP). Although there is empirical exploration of AIMC accelerators, the theoretical understanding of how analog hardware imperfections in weight updates affect the training of multi-layer DNN models remains underexplored. Furthermore, the asynchronous pipeline parallelism results in stale weights issues, which render the update signals no longer valid gradients. To close the gap, this paper investigates the convergence properties of Analog-SGD-AP on multi-layer DNN training. We show that the Analog-SGD-AP converges with iteration complexity $O(\varepsilon^{-2}+\varepsilon^{-1})$ despite the aforementioned issues, which matches the complexities of digital SGD and Analog SGD with synchronous pipeline, except the non-dominant term $O(\varepsilon^{-1})$. It implies that AIMC training benefits from asynchronous pipelining almost for free compared with the synchronous pipeline by overlapping computation.
Authors: Zherui Huang, Yicheng Liu, Chumeng Liang, Guanjie Zheng
Abstract: Deploying learned decision-making systems often requires transferring to new sites where the sensing pipeline differs. In such cases, observations can change in semantics and dimensionality even when action primitives and objectives remain comparable. In this work, we study transferable model-based planning under this observation mismatch, which remains challenging for existing learning-based approaches. We propose Adaptive Modularized Model (AMM), a modular planning architecture that separates a domain-specific observation adapter from a shared internal dynamics model defined in a common planning state space. The dynamics model is meta-learned from multiple source domains to enable fast adaptation with limited target interaction. At run time, AMM performs receding-horizon planning by rolling out candidate action sequences under the learned dynamics and selecting actions that optimize a task-specific objective over predicted futures. We instantiate the approach on cross-domain traffic signal control, where actions correspond to signal phases and the planning objective captures congestion. Experiments show that AMM improves both performance and data efficiency compared with existing conventional controllers and learning-based baselines.
Authors: Arya Hatamian, Lionel Levine, Haniyeh Ehsani Oskouie, Majid Sarrafzadeh
Abstract: Having a sufficient quantity of quality data is a critical enabler of training effective machine learning models. Being able to effectively determine the adequacy of a dataset prior to training and evaluating a model's performance would be an essential tool for anyone engaged in experimental design or data collection. However, despite the need for it, the ability to prospectively assess data sufficiency remains an elusive capability. We report here on two experiments undertaken in an attempt to better ascertain whether or not basic descriptive statistical measures can be indicative of how effective a dataset will be at training a resulting model. Leveraging the effect size of our features, this work first explores whether or not a correlation exists between effect size, and resulting model performance (theorizing that the magnitude of the distinction between classes could correlate to a classifier's resulting success). We then explore whether or not the magnitude of the effect size will impact the rate of convergence of the learning curve, (theorizing again that a greater effect size may indicate that the model will converge more rapidly, and with a smaller sample size needed). Our results appear to indicate that this is not an effective heuristic for determining adequate sample size or projecting model performance, and therefore that additional work is still needed to better prospectively assess adequacy of data.
Authors: Ziqing Wen, Ping Luo, Jiahuan Wang, Kun Yuan, Dongsheng Li, Tao Sun
Abstract: Large Language Models (LLMs) have demonstrated exceptional capabilities across diverse natural language processing benchmarks. However, the escalating scale of model parameters imposes prohibitive memory overheads during training, especially when employing stateful optimizers such as Adam. Conventional memory-efficient strategies, typically involving singular value decomposition (SVD) or weight freezing, often incur non-negligible performance degradation relative to full-rank updates. To address these limitations, this paper explores memory-efficient optimization beyond low-rank constraints and proposes the Gradient Wavelet Transform (GWT). GWT characterizes a novel compression framework that projects gradients into wavelet subspaces, effectively compacting optimizer states while preserving essential update information. We theoretically and empirically demonstrate that GWT can be seamlessly integrated into existing optimization protocols, facilitating resource-efficient training without compromising model fidelity. Rigorous evaluations encompassing both large-scale pre-training and task-specific fine-tuning reveal that GWT yields performance parity with advanced memory-efficient optimizers and full-rank updates. Furthermore, GWT provides a scalable and robust solution for managing the memory-intensive pipelines inherent in modern large-scale data engineering and knowledge discovery systems.
Authors: Yikai Wu, Haoyu Zhao, Sanjeev Arora
Abstract: AI methods, such as generative models and reinforcement learning, have recently been applied to combinatorial optimization (CO) problems, especially NP-hard ones. This paper compares such GPU-based methods with classical CPU-based methods on the Maximum Independent Set (MIS) problem. Strikingly, even on in-distribution random graphs, leading AI-inspired methods are consistently outperformed by the state-of-the-art classical solver KaMIS running on a single CPU, and some AI-inspired methods frequently fail to surpass even the simplest degree-based greedy heuristic. Even with post-processing techniques like local search, AI-inspired methods still perform worse than CPU-based solvers. To better understand the source of these failures, we introduce a novel analysis, serialization, which reveals that non-backtracking AI-inspired methods, e.g. LTFT (which is based on GFlowNets), end up reasoning similarly to the simplest degree-based greedy, and thus worse than KaMIS. More generally, our findings suggest a need for a rethinking of current approaches in AI for CO, advocating for more rigorous benchmarking and the principled integration of classical heuristics. Additionally, we also find that CPU-based algorithm KaMIS have strong performance on sparse random graphs, which appears to show that the shattering threshold conjecture for large independent sets proposed by Coja-Oghlan & Efthymiou (2015) does not apply for real-life sizes (such as 10^6 nodes).
Authors: Valentyn Melnychuk, Dennis Frauen, Jonas Schweisthal, Stefan Feuerriegel
Abstract: End-to-end representation learning has become a powerful tool for estimating causal quantities from high-dimensional observational data, but its efficiency remained unclear. Here, we face a central tension: End-to-end representation learning methods often work well in practice but lack asymptotic optimality in the form of the quasi-oracle efficiency. In contrast, two-stage Neyman-orthogonal learners provide such a theoretical optimality property but do not explicitly benefit from the strengths of representation learning. In this work, we step back and ask two research questions: (1) When do representations strengthen existing Neyman-orthogonal learners? and (2) Can a balancing constraint - a commonly proposed technique in the representation learning literature - provide improvements to Neyman-orthogonality? We address these two questions through our theoretical and empirical analysis, where we introduce a unifying framework that connects representation learning with Neyman-orthogonal learners (namely, OR-learners). In particular, we show that, under the low-dimensional manifold hypothesis, the OR-learners can strictly improve the estimation error of the standard Neyman-orthogonal learners. At the same time, we find that the balancing constraint requires an additional inductive bias and cannot generally compensate for the lack of Neyman-orthogonality of the end-to-end approaches. Building on these insights, we offer guidelines for how users can effectively combine representation learning with the classical Neyman-orthogonal learners to achieve both practical performance and theoretical guarantees.
Authors: Mohammad Tariqul Islam, Jason W. Fleischer
Abstract: Uniform manifold approximation and projection (UMAP) is among the most popular neighbor embedding methods. The method samples pairs of point indices according to similarities in the high-dimensional space, and applies attractive and repulsive forces to their coordinates in the low-dimensional embedding. In this paper, we analyze the forces to reveal their effects on cluster formations and visualization, and compare UMAP to its contemporaries. Repulsion emphasizes differences, controlling cluster boundaries and inter-cluster distance. Attraction is more subtle, as attractive tension between points can manifest simultaneously as attraction and repulsion in the lower-dimensional mapping. This explains the need for learning rate annealing and motivates the different treatments between attractive and repulsive terms. Moreover, by modifying attraction, we improve the consistency of cluster formation under random initialization. Overall, our analysis provides a mechanistic understanding of UMAP and related embedding methods.
Authors: Ian Groves, Andrew Campbell, James Fernandes, Diego Ram\'irez Rodr\'iguez, Paul Murray, Massimiliano Vasile, Victoria Nockles
Abstract: Foundation Models, which leverage large neural networks pre-trained on unlabelled data before fine-tuning for specific tasks, are increasingly being applied to specialised domains. Recent examples include ClimaX for climate and Clay for satellite Earth observation, but a Foundation Model for Space Object Behavioural Analysis has not yet been developed. As orbital populations grow, automated methods for characterising space object behaviour are crucial for space safety. Here, we present a self-supervised framework for space object behavioural analysis, representing a first step towards a Foundation Model for SOBA. The backbone is a Perceiver-Variational Autoencoder (VAE) architecture, pre-trained with self-supervised reconstruction and masked reconstruction on 227,000 light curves from the MMT-9 observatory. The VAE enables anomaly detection, motion prediction, and synthetic light curve generation. We fine-tuned the model using two independent light curve simulators (CASSANDRA and GRIAL), with CAD models of boxwing, Sentinel-3, SMOS, and Starlink platforms. Our pre-trained model achieved a reconstruction mean squared error of 0.009, identifying potentially anomalous light curves through reconstruction difficulty. After fine-tuning, the model scored 85% and 82% accuracy, with 0.92 and 0.95 ROC AUC scores in anomaly detection and motion mode prediction (e.g., sun-pointing, spin, tumbling). Analysis of high-confidence predictions on real data revealed distinct patterns including characteristic object profiles and satellite glinting. Our work demonstrates how self-supervised learning can simultaneously enable anomaly detection, motion prediction, and synthetic data generation from rich pre-trained representations, supporting space safety and sustainability through automated monitoring and simulation.
Authors: Anthony C. Constantinou, Nicholas Higgins, Neville K. Kitson
Abstract: Hattrick is a free web-based probabilistic football manager game with over 200,000 users competing for titles at national and international levels. Launched in Sweden in 1997 as part of an MSc project, the game's slow-paced design has fostered a loyal community, with users remaining active for decades. Hattrick's game-engine mechanics are partially hidden, and users have attempted to decode them with incremental success over the years. Rule-based, statistical and machine learning models have been developed to aid this effort and are widely used by the community, but have not been formally evaluated in the scientific literature. This study is the first to explore Hattrick using structure learning techniques and Bayesian networks, integrating expert knowledge with data to develop models that simulate and explain the game-engine. We assess the effectiveness of structure learning algorithms in relation to knowledge-based structures, and publicly share a fully specified Bayesian network model that matches the performance of top models used by the Hattrick community. We further demonstrate how analysis extends beyond prediction by providing a visual representation of dependencies between features, and using the optimal model for in-game decision-making. To support future research, we make all data, graphical structures, and models publicly available online.
Authors: Yize Jiang, Xinze Li, Yuanyuan Zhang, Jin Han, Youjun Xu, Ayush Pandit, Zaixi Zhang, Mengdi Wang, Mengyang Wang, Minjie Shen, Guang Yang, Yejin Choi, Wu-Jun Li, Tianfan Fu, Fang Wu, Junhong Liu
Abstract: Existing protein-ligand docking studies typically focus on the self-docking scenario, which is less practical in real applications. Moreover, some studies involve heavy frameworks requiring extensive training, posing challenges for convenient and efficient assessment of docking methods. To fill these gaps, we design PoseX, an open-source benchmark to evaluate both self-docking and cross-docking, enabling a practical and comprehensive assessment of algorithmic advances. Specifically, we curated a novel dataset comprising 718 entries for self-docking and 1,312 entries for cross-docking; second, we incorporated 23 docking methods in three methodological categories, including physics-based methods (e.g., Schr\"odinger Glide), AI docking methods (e.g., DiffDock) and AI co-folding methods (e.g., AlphaFold3); third, we developed a relaxation method for post-processing to minimize conformational energy and refine binding poses; fourth, we built a leaderboard to rank submitted models in real-time. We derived some key insights and conclusions from extensive experiments: (1) AI approaches have consistently outperformed physics-based methods in overall docking success rate. (2) Most intra- and intermolecular clashes of AI approaches can be greatly alleviated with relaxation, which means combining AI modeling with physics-based post-processing could achieve excellent performance. (3) AI co-folding methods exhibit ligand chirality issues, except for Boltz-1x, which introduced physics-inspired potentials to fix hallucinations, suggesting modeling on stereochemistry improves the structural plausibility markedly. (4) Specifying binding pockets significantly promotes docking performance, indicating that pocket information can be leveraged adequately, particularly for AI co-folding methods, in future modeling efforts. The code, dataset, and leaderboard are released at https://github.com/CataAI/PoseX.
Authors: Yaoqi Chen, Jinkai Zhang, Baotong Lu, Qianxi Zhang, Chengruidong Zhang, Jing Liu, Jingjia Luo, Di Liu, Huiqiang Jiang, Qi Chen, Bailu Ding, Xiao Yan, Jiawei Jiang, Chen Chen, Mingxing Zhang, Cheng Li, Yuqing Yang, Fan Yang, Mao Yang
Abstract: Recent large language models (LLMs) are rapidly extending their context windows, yet inference throughput lags due to increasing GPU memory and bandwidth demands. This is because the key-value (KV) cache, an intermediate structure storing token representations, grows linearly with context length and requires an iterative linear scan for attention computation. A promising direction to accelerate long-context inference is to exploit attention's inherent sparsity by offloading the KV cache to CPU memory and retrieving only a small subset of tokens important to the current generation step. However, prior sparse attention approaches struggle to balance accuracy and retrieval cost due to varying sparsity patterns and inefficient GPU-CPU memory management. We present RetroInfer, a vector storage engine that realizes a sparsity-based KV cache for long-context inference. RetroInfer introduces an Attention-aWare VEctor index (wave index), which fundamentally improves the tradeoff between attention accuracy and retrieval cost through tripartite attention approximation, accuracy-bound attention estimation, and segmented clustering. We also design the wave buffer, a GPU-CPU buffer manager that assigns computation and manages data across heterogeneous hardware. We evaluate RetroInfer across a range of models and workloads, demonstrating up to 4.4X decoding throughput over full attention at 120K context and up to 12.2X over sparse attention baselines at 1 million tokens -- all while preserving full-attention-level accuracy.
Authors: Ryan Chen, Youngmin Ko, Zeyu Zhang, Catherine Cho, Sunny Chung, Mauro Giuffr\'e, Dennis L. Shung, Bradly C. Stadie
Abstract: We introduce LAMP (Local Attribution Mapping Probe), a method that shines light onto a black-box language model's decision surface and studies how reliably a model maps its stated reasons to its reported predictions by approximating a decision surface. LAMP treats the model's own self-reported explanations as a coordinate system and fits a locally linear surrogate that links those weights to the model's output. By doing so, it reveals how much the stated factors steer the model's decisions. We apply LAMP to three tasks: sentiment analysis, controversial-topic detection, and safety-prompt auditing. Across these tasks, LAMP reveals that many language models' locally approximated linear decision landscapes overall agree with human judgments on explanation quality and, on a clinical case-file data set, align with expert assessments. Since LAMP operates without requiring access to model gradients, logits, or internal activations, it serves as a practical and lightweight framework for auditing proprietary language models, and enabling assessment of whether a model appears to behave consistently with the explanations it provides.
Authors: Weiguo Gao, Ming Li
Abstract: Diffusion trajectory distillation accelerates sampling by training a student model to approximate the multi-step denoising trajectories of a pretrained teacher model using far fewer steps. Despite strong empirical results, the trade-off between distillation strategy and generative quality remains poorly understood. We provide a theoretical characterization by reinterpreting trajectory distillation as an operator merging problem, differentiating our analysis between two distinct regimes. In the linear Gaussian regime, where approximation error is zero, we isolate optimization error, specifically signal shrinkage driven by finite training time, as the primary bottleneck. This characterization allows us to derive the theoretically optimal merging strategy, which exhibits a variance-driven phase transition and is computable via a Pareto dynamic programming algorithm. In the nonlinear Gaussian mixture regime, we prove that distilling composite steps incurs unavoidable approximation error due to the exponential growth of mixture components, and we quantify how these errors amplify across merges. Together, these results clarify the distinct theoretical mechanisms governing each regime and provide principled guidance for method selection.
Authors: Thomas Hamelryck, Kanti V. Mardia
Abstract: The seminal breakthrough of AlphaFold in protein structure prediction relied on a learned potential energy function parameterized by deep models, in contrast to its successors AlphaFold2 and AlphaFold3, which lack an explicit probabilistic interpretation. While AlphaFold's potential was originally justified by heuristic analogy to physical potentials of mean force, we show that it can instead be understood as a principled instance of probability kinematics (PK), also known as Jeffrey conditioning, a generalization of Bayesian updating. This reinterpretation reveals that AlphaFold is a generalized Bayesian model that explicitly defines a posterior distribution over structures, providing a deeper explanation of its success and a foundation for future model design. To demonstrate this framework with precision, we introduce a tractable synthetic model in which an angular random walk prior is updated with distance-based evidence via PK, directly mirroring AlphaFold's mechanism. This setting allows us to explore the probabilistic foundations of AlphaFold in a clear and interpretable way. Our work connects a landmark in protein structure prediction to a broader class of compositional deep generative models and points to new opportunities for principled probabilistic approaches.
Authors: Wei Shen, Zhang Yaxiang, Minhui Huang, Mengfan Xu, Jiawei Zhang, Cong Shen
Abstract: With increasing size of large language models (LLMs), full-parameter fine-tuning imposes substantial memory demands. To alleviate this, we propose a novel memory-efficient training paradigm called Momentum Low-rank compression (MLorc). The key idea of MLorc is to compress and reconstruct the momentum of matrix parameters during training to reduce memory consumption. Compared to LoRA, MLorc avoids enforcing a fixed-rank constraint on weight update matrices and thus enables full-parameter learning. Compared to GaLore, MLorc directly compress the momentum rather than gradients, thereby better preserving the training dynamics of full-parameter fine-tuning. We provide a theoretical guarantee for its convergence under mild assumptions. Empirically, MLorc consistently outperforms other memory-efficient training methods, matches or even exceeds the performance of full fine-tuning at small ranks (e.g., $r=4$), and generalizes well across different optimizers, all while not compromising time or memory efficiency.
Authors: Jonathan Geuter, Youssef Mroueh, David Alvarez-Melis
Abstract: We propose Guided Speculative Inference (GSI), a novel algorithm for efficient reward-guided decoding in large language models. GSI combines soft best-of-$n$ test-time scaling with a reward model $r(x,y)$ and speculative samples from a small auxiliary model $\pi_S(y\mid x)$. We provably approximate both the optimal tilted policy $\pi_{\beta,B}(y\mid x) \propto \pi_B(y\mid x)\exp(\beta\,r(x,y))$ of soft best-of-$n$ under the base model $\pi_B$, as well as the expected reward under the optimal policy. In experiments on reasoning benchmarks (MATH500, OlympiadBench, Minerva Math, MMLU-STEM, GSM8K) and across different model families, our method achieves higher accuracy than standard soft best-of-$n$ with $\pi_S$ and reward-guided speculative decoding (Liao et al., 2025), and in certain settings even outperforms soft best-of-$n$ with $\pi_B$, while reducing end-to-end latency by up to $28\%$. The code is available at https://github.com/j-geuter/GSI .
Authors: Daniel Jenson, Jhonathan Navott, Piotr Grynfelder, Mengyan Zhang, Makkunda Sharma, Elizaveta Semenova, Seth Flaxman
Abstract: Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. While early architectures were developed primarily as a scalable alternative to Gaussian Processes (GPs), modern NPs tackle far more complex and data-hungry applications spanning geology, epidemiology, climate, and robotics. These applications have placed increasing pressure on the scalability of these models, with many architectures compromising accuracy for scalability. In this paper, we demonstrate that this trade-off is often unnecessary, particularly when modeling fully or partially translation-invariant processes. We propose a versatile new architecture, the Biased Scan Attention Transformer Neural Process (BSA-TNP), which introduces Kernel Regression Blocks (KRBlocks), group-invariant attention biases, and memory-efficient Biased Scan Attention (BSA). BSA-TNP is able to: (1) match or exceed the accuracy of the best models while often training in a fraction of the time, (2) exhibit translation invariance, enabling learning at multiple resolutions simultaneously, (3) transparently model processes that evolve in both space and time, (4) support high-dimensional fixed effects, and (5) scale gracefully, running inference on over 1M test points and 100K context points in under a minute on a single 24GB GPU. Code is provided as part of the `dl4bi` package.
Authors: Shipeng Li, Zhiqin Yang, Shikun Li, Xiaobo Xia, Hengyu Liu, Xinghua Zhang, Gaode Chen, Dong Fang, Ying Tai, Zhe Peng
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a key technique for enhancing LLMs' reasoning abilities, yet its data inefficiency remains a major bottleneck. To address this critical yet challenging issue, we present a novel gradient-alignment-based method, named LearnAlign, which intelligently selects the learnable and representative training reasoning data for RLVR post-training. To overcome the well-known response-length bias in gradient norms, we introduce the data learnability based on the success rate, which indicates the learning potential of each data point. Experiments across five reasoning benchmarks show that our method significantly reduces training data requirements while achieving minor performance degradation or even improving performance compared to full-data training. Specifically, it reduces data requirements by up to 1,000 data points with better performance (77.5%) than that on the full dataset on the GSM8K benchmark (77.0%). Furthermore, its efficiency is demonstrated on both mathematical and code benchmarks by using much less data from the DAPO-MATH-17K dataset.
Authors: Jiawei Chen, Zhengwei Fang, Yu Tian, Jiawei Du, Chao Yu, Zhaoxia Yin, Hang Su
Abstract: Ensuring the safety and alignment of Large Language Models is a significant challenge with their growing integration into critical applications and societal functions. While prior research has primarily focused on jailbreak attacks, less attention has been given to non-adversarial failures that subtly emerge during benign interactions. We introduce secondary risks a novel class of failure modes marked by harmful or misleading behaviors during benign prompts. Unlike adversarial attacks, these risks stem from imperfect generalization and often evade standard safety mechanisms. To enable systematic evaluation, we introduce two risk primitives verbose response and speculative advice that capture the core failure patterns. Building on these definitions, we propose SecLens, a black-box, multi-objective search framework that efficiently elicits secondary risk behaviors by optimizing task relevance, risk activation, and linguistic plausibility. To support reproducible evaluation, we release SecRiskBench, a benchmark dataset of 650 prompts covering eight diverse real-world risk categories. Experimental results from extensive evaluations on 16 popular models demonstrate that secondary risks are widespread, transferable across models, and modality independent, emphasizing the urgent need for enhanced safety mechanisms to address benign yet harmful LLM behaviors in real-world deployments.
Authors: Changxi Chi, Jun Xia, Yufei Huang, Zhuoli Ouyang, Cheng Tan, Yunfan Liu, Jingbo Zhou, Chang Yu, Liangyu Yuan, Siyuan Li, Zelin Zang, Stan Z. Li
Abstract: Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process, making it impossible to capture the same cell's phenotype before and after perturbation. Consequently, data collected under perturbed and unperturbed conditions are inherently unpaired, creating a critical yet unresolved problem in single-cell perturbation modeling. Moreover, the high dimensionality and sparsity of single-cell expression make direct modeling prone to focusing on zeros and neglecting meaningful patterns. To address these problems, we propose a new paradigm for single-cell perturbation modeling. Specifically, we leverage dual diffusion models to learn the control and perturbed distributions separately, and implicitly align them through a shared Gaussian latent space, without requiring explicit cell pairing. Furthermore, we introduce a sparsity masking strategy in which the mask model learns to predict zero-expressed genes, allowing the diffusion model to focus on capturing meaningful patterns among expressed genes and thereby preserving diversity in high-dimensional sparse data. We introduce \textbf{Doloris}, a generative framework that defines a new paradigm for modeling unpaired, high-dimensional, and sparse single-cell perturbation data. It leverages dual conditional diffusion models for separate learning of control and perturbed distributions, complemented by a sparsity masking strategy to enhance prediction of zero-valued genes. The results on publicly available datasets show that our model effectively captures the diversity of single-cell perturbations and achieves state-of-the-art performance. To facilitate reproducibility, we include the code in the supplementary materials.
Authors: Taehwan Yoon, Bongjun Choi, Wesley De Neve
Abstract: Federated learning (FL) enables collaborative model training across distributed clients while preserving data privacy. However, data and system heterogeneity often cause catastrophic forgetting and unbounded drift in model updates, leading to degraded predictive performance and increased client-side computation. To address these challenges, we propose FedRef, a Bayesian fine-tuning method that leverages a reference model constructed from previous global models. FedRef integrates a MAP-based regularization term that calibrates global model updates toward a temporally aggregated reference model, thereby mitigating catastrophic forgetting and improving update stability. Unlike prior approaches, FedRef performs all fine-tuning operations on the server side, reducing client-side computational overhead while maintaining effective global optimization. Experiments on image classification (FEMNIST, CINIC-10) and medical image segmentation (FeTS2022) demonstrate that FedRef achieves superior predictive performance and faster convergence under heterogeneous, non-IID settings, while significantly lowering client-side computation compared with existing methods. These results highlight FedRef as an efficient and robust optimization framework for real-world FL scenarios.
Authors: Tongtian Zhu, Tianyu Zhang, Mingze Wang, Zhanpeng Zhou, Can Wang
Abstract: Decentralized learning provides a scalable alternative to parameter-server-based training, yet its performance is often hindered by limited peer-to-peer communication. In this paper, we study how communication should be scheduled over time, including determining when and how frequently devices synchronize. Counterintuitive empirical results show that concentrating communication budgets in the later stages of decentralized training remarkably improves global test performance. Surprisingly, we uncover that fully connected communication at the final step, implemented by a single global merging, can significantly improve the performance of decentralized learning under high data heterogeneity. Our theoretical contributions, which explain these phenomena, are the first to establish that the globally merged model of decentralized SGD can match the convergence rate of parallel SGD. Technically, we reinterpret part of the discrepancy among local models, which were previously considered as detrimental noise, as constructive components essential for matching this rate. This work provides evidence that decentralized learning is able to generalize under high data heterogeneity and limited communication, while offering broad new avenues for model merging research.
Authors: Yuta Nakahara, Manabu Kobayashi, Toshiyasu Matsushima
Abstract: With the advancement of deep learning, reducing computational complexity and memory consumption has become a critical challenge, and ternary neural networks (NNs) that restrict parameters to $\{-1, 0, +1\}$ have attracted attention as a promising approach. While ternary NNs demonstrate excellent performance in practical applications such as image recognition and natural language processing, their theoretical understanding remains insufficient. In this paper, we theoretically analyze the expressivity of ternary NNs from the perspective of the number of linear regions. Specifically, we evaluate the number of linear regions of ternary regression NNs with Rectified Linear Unit (ReLU) for activation functions and prove that the number of linear regions increases polynomially with respect to network width and exponentially with respect to depth, similar to standard NNs. Moreover, we show that it suffices to first double the width, then either square the width or double the depth of ternary NNs with alternating ReLU and identity layers to achieve a lower bound on the maximum number of linear regions comparable to that of general ReLU regression NNs. When using ReLU in all the layers, a similar bound is obtained by further doubling the width. This provides a theoretical explanation, in some sense, for the practical success of ternary NNs.
Authors: Dmitry Pasechnyuk-Vilensky, Martin Tak\'a\v{c}
Abstract: We study neural architectures in which each hidden layer is defined by the stationary state of a dissipative Schr\"odinger-type dynamics on a learned latent graph. On stable branches, the local stationary problem defines a differentiable implicit graph layer. To learn the graph itself, we optimize over the stratified moduli space of weighted graphs and equip each stratum with a non-degenerate K\"ahler-Hessian metric that keeps natural-gradient descent and face crossing well posed. We then show that a multilayer stationary network is equivalent to an exact global stationary problem on a supra-graph, and that it admits a penalized global relaxation whose stationary states converge to the exact one as the penalty parameter tends to infinity. Reverse-mode differentiation is recovered as the adjoint of the exact global system, and the penalized adjoint converges to it in the same limit. Finally, under finite-dimensional strong-monotonicity and admissible-lift assumptions, the corresponding represented hypothesis classes coincide among resolvent feed-forward networks, graph-stationary networks, supra-graph stationary systems, and sheaf-based architectures with unitary connection. The resulting structural identifications yield complexity bounds controlled by sparse graph or supra-graph geometry rather than dense ambient connectivity.
Authors: Wenzhuo Qian, Hailiang Zhao, Jiayi Chen, Ziqi Wang, Tianlv Chen, Zhiwei Ling, Xinkui Zhao, Kingsum Chow, Albert Y. Zomaya, Shuiguang Deng
Abstract: Microservice architectures enable scalable cloud-native applications; however, the distributed nature of these systems complicates the maintenance of strict Service Level Objectives. Accurately predicting window-level P95 tail latency remains difficult due to the complex interactions between software workload propagation and infrastructure resource limits. Existing predictive models struggle to capture these dynamics because the lack of explicit separation between traffic metrics and resource metrics causes misaligned feature representations. Building on this suboptimal data treatment, the unified architectures of prior approaches fail to isolate cascading service dependencies from localized processing capacity. Due to this entanglement, joint training suffers from an optimization imbalance wherein resource features converge faster and dominate gradient updates, thereby preventing the learning of underlying software topologies. To address these challenges, we propose USRFNet, a dual-stream framework that separates the modeling of demand and capacity. The proposed framework utilizes a Graph Neural Network to model the spatial interactions of traffic workloads across software-level service dependencies, and a gating MLP to independently extract infrastructure-level resource dynamics. The model then integrates these representations through hierarchical tensor fusion. To resolve the training imbalance, we introduce a Reliability-Aware Gradient Modulation strategy that dynamically rescales gradients based on the generalization ratio of each data stream. Experiments on three large-scale real-world benchmarks demonstrate that USRFNet outperforms state-of-the-art methods in prediction accuracy. Specifically, compared to the best-performing baselines, the proposed framework achieves relative MAPE reductions ranging from 15.62% to 26.11% across the evaluated datasets.
Authors: The-Hai Nguyen, Dang Huu-Tien, Takeshi Suzuki, Le-Minh Nguyen
Abstract: Regression Mean (RegMean), an approach that formulates model merging as a linear regression problem, aims to find the optimal weights for each linear layer in the merged model by minimizing the discrepancy in predictions between the merged and candidate models. RegMean provides a precise closed-form solution for the merging problem; therefore, it offers explainability and computational efficiency. However, RegMean merges each linear layer independently, overlooking how the features and information in earlier layers propagate through deeper layers and influence the final predictions of the merged model. Here, we introduce RegMean++, a simple yet effective alternative to RegMean, that explicitly incorporates both intra-layer and cross-layer dependencies between merged models' layers into RegMean's objective. By accounting for these dependencies, RegMean++ better captures the behaviors of the merged model. Extensive experiments demonstrate that RegMean++ consistently outperforms RegMean across diverse settings, including in-domain (ID) and out-of-domain (OOD) generalization, sequential merging, large-scale tasks, and robustness under several types of distribution shifts. Furthermore, RegMean++ achieves competitive performance across diverse settings compared to various advanced model merging methods.
Authors: Jian Xu, Yican Liu, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Learning stochastic functions from partially observed context-target pairs requires models that are expressive, uncertainty-aware, and strongly conditioned on inputs. Neural Diffusion Processes (NDPs) improve expressivity with denoising diffusion, but their forward process is input-independent; inputs only enter the reverse denoiser, so the noisy training states themselves do not encode the conditioning inputs. We propose Neural Bridge Processes (NBPs), which replace the unconditional forward kernel with an input-anchored bridge trajectory. When input and output dimensions differ, NBP learns an output-space anchor $a_\psi(x)=P_\psi(x)$, allowing coordinates or other inputs to guide the generative path without changing the denoising backbone. We show theoretically that process-level anchoring induces pathwise input distinguishability, injects information about x into noisy states, and creates a direct gradient pathway unavailable to NDPs. Experiments on synthetic regression, EEG, CylinderFlow, and image regression show consistent improvements. Additional ablations show that the gains come from the full bridge construction with learned alignment, and that the same input-anchored path principle transfers to Flow Matching Neural Processes. These results suggest that bridge-anchored generative paths provide a general mechanism for strengthening conditional stochastic function modeling.
Authors: Keyuan Zhang, Yin Sun, Bo Ji
Abstract: We consider a remote inference system with multiple modalities, where a multimodal machine learning (ML) model performs real-time inference using features collected from remote sensors. When sensor observations evolve dynamically over time, fresh features are critical for inference tasks. However, timely delivery of features from all modalities is often infeasible under limited network resources. To address this challenge, we formulate a multimodal scheduling problem to minimize the ML model's inference error. We model this error as a general function of the Age of Information (AoI) vector, where AoI quantifies data freshness. We cast the problem as a semi-Markov decision process (SMDP) and derive an equivalent reformulation with a reduced state set. We then show that the problem has fundamentally different chain structures in the two-modality and multi-modality cases. For the two-modality case, we prove that the optimal policy has an index-based threshold structure. For the general multi-modality case (i.e., with more than two modalities), we develop the optimal error-aware switching-and-transmission policy (EAST), which is computed using a multichain policy iteration algorithm (MPI). To further reduce complexity, we also develop two low-complexity policies under special settings: the error-aware transmission policy (EAT) and the fixed threshold policy (FT). Numerical results from three case studies show that the proposed policies outperform several simple heuristics, including round-robin, greedy, and uniform random policies. In particular, EAST reduces the inference error by up to 44.8% compared with the best baseline in each case. In the five-modality case, EAT and FT reduce computation time by 6.6$\times$ and 3000$\times$, respectively, relative to EAST, while increasing the inference error by 20.2% and 38.6%, respectively.
Authors: Qibin Wang, Pu Zhao, Shaohan Huang, Fangkai Yang, Lu Wang, Furu Wei, Qingwei Lin, Saravan Rajmohan, Dongmei Zhang
Abstract: Test-time scaling (TTS) has gained widespread attention for enhancing LLM reasoning. Existing approaches such as Best-of-N and majority voting are limited as their performance depends on the quality of candidate responses, making them unable to produce a correct solution when all candidates are incorrect. Parallel self-refinement, generating multiple candidates and synthesizing a refined answer conditioned on them, offers a promising alternative, but the underlying mechanism driving its effectiveness remains obscure. To bridge this gap in understanding, we introduce a new metric, the Refinement Gap, designed to quantify the relative improvement of self-refinement beyond majority voting. We show that the Refinement Gap exhibits a clear scaling trend with model size and is only weakly correlated with the base capability. Based on this discovery, we propose Generative Self-Refinement (GSR), a parallel test-time scaling framework that transfers the refinement policy from larger teacher models with higher refinement gap into smaller students. Crucially, GSR jointly trains a single model to generate strong candidates and refine a better final answer based on these candidates. Experimental results demonstrate that our method achieves state-of-the-art performance across five mathematical benchmarks over other parallel aggregation methods, while the learned refinement skill transfers across multiple model scales and families and exhibits robust generalization to an out-of-distribution domain.
Authors: Hao Ban, Kaiyi Ji
Abstract: Large language models are often adapted using parameter-efficient techniques such as Low-Rank Adaptation (LoRA), formulated as $y = W_0x + BAx$, where $W_0$ is the pre-trained parameters and $x$ is the input to the adapted layer. While multi-adapter extensions often employ multiple LoRAs, prior studies suggest that the inner $A$ matrices are highly similar during training and thus suitable for sharing. We revisit this phenomenon and find that this similarity is largely attributable to the identical initialization rather than shared knowledge, with $B$ playing a more critical role in knowledge encoding and transfer. Motivated by these insights, we propose \textbf{ALoRA}, an asymmetric multi-LoRA design with multiple $A$ matrices and a single shared $B$ in multi-task fine-tuning, and \textbf{Fed-ALoRA}, which shares $B$ across clients in federated fine-tuning under both homogeneous and heterogeneous settings, through a novel matrix decomposition strategy to accommodate heterogeneous ranks across clients. Experiments on commonsense reasoning, math reasoning, multi-task NLP dataset, and federated NLP dataset demonstrate that our methods achieve more balanced performance across tasks with comparable or superior average accuracy relative to existing multi-LoRA approaches. The code is available at https://github.com/OptMN-Lab/ALoRA.
Authors: Jubayer Ibn Hamid, Ifdita Hasan Orney, Ellen Xu, Chelsea Finn, Dorsa Sadigh
Abstract: Reinforcement learning fine-tuning (RLFT) is a dominant paradigm for improving pretrained policies for downstream tasks. These pretrained policies, trained on large datasets, produce generations with a broad range of promising but unrefined behaviors. Often, a critical failure mode of RLFT arises when policies lose this diversity and collapse into a handful of easily exploitable outputs. This convergence hinders exploration, which is essential for expanding the capabilities of the pretrained policy and for amplifying the benefits of test-time compute scaling. To address this, we introduce an objective for policy gradient methods that explicitly enforces the exploration and refinement of diverse generations, which we call a polychromic objective. We then show how proximal policy optimization (PPO) can be adapted to optimize this objective. Our method (1) employs vine sampling to collect on-policy rollouts and (2) modifies the advantage function to reflect the advantage under our new objective. Experiments on BabyAI, Minigrid, and Algorithmic Creativity show that our method improves success rates by reliably solving a larger set of environment configurations and generalizes better under large perturbations. Moreover, when given multiple attempts in pass@$k$ experiments, the policy achieves substantially higher coverage, demonstrating its ability to maintain and exploit a diverse repertoire of strategies.
Authors: Yuchen Yan, Peiyan Zhang, Zhihua Liu, Hao Wang, Yatao Bian, Weiming Li, Xiaoshuai Hao
Abstract: Retrieval-augmented generation (RAG) has demonstrated its ability to enhance Large Language Models (LLMs) by integrating external knowledge sources. However, multi-hop questions, which require the identification of multiple knowledge targets to form a synthesized answer, raise new challenges for RAG systems. Under the multi-hop settings, existing methods often struggle to fully understand the questions with complex semantic structures and are susceptible to irrelevant noise during the retrieval of multiple information targets. To address these limitations, we propose a novel graph representation learning framework for multi-hop question retrieval. We first introduce a Multi-information Level Knowledge Graph (Multi-L KG) to model various information levels for a more comprehensive understanding of multi-hop questions. Based on this, we design a Question-Adaptive Graph Neural Network (Quest-GNN) for representation learning on the Multi-L KG. Quest-GNN employs intra/inter-level message passing mechanisms, and in each message passing the information aggregation is guided by the question, which not only facilitates multi-granular information aggregation but also significantly reduces the impact of noise. To enhance its ability to learn robust representations, we further propose two synthesized data generation strategies for pre-training the Quest-GNN. Extensive experimental results demonstrate the effectiveness of our framework in multi-hop scenarios, especially in high-hop questions the improvement can reach 33.8\%. The code is available at: https://github.com/Jerry2398/QSGNN.
Authors: Aditya Puttaparthi Tirumala
Abstract: Marketing Mix Modeling (MMM) estimates the impact of marketing activities on business outcomes such as sales or revenue. Traditional MMM approaches rely on linear regression or Bayesian hierarchical models that assume channel independence and struggle to capture temporal dynamics and non-linear saturation. DeepCausalMMM addresses these limitations by combining deep learning, causal inference, and marketing science. It uses Gated Recurrent Units (GRUs) to learn temporal patterns (adstock, lag) while learning statistical dependencies between channels through Directed Acyclic Graph (DAG) structure with upper triangular constraints. It implements Hill equation saturation curves for diminishing returns and budget optimization. Key features: (1) data-driven hyperparameters learned from data with defaults, (2) linear mean scaling of the dependent variable, (3) configurable attribution priors with dynamic loss scaling, (4) multi-region modeling with shared and region-specific parameters, (5) robust methods including Huber loss, (6) response curve analysis.
Authors: Anej Svete, Ashish Sabharwal
Abstract: Masked diffusion models (MDMs) for text offer a compelling alternative to traditional autoregressive language models. Parallel generation makes them efficient, but their computational capabilities and the limitations inherent in their parallelism remain largely unexplored. To this end, we characterize what types of reasoning problems MDMs can provably solve and how efficiently. We do this by connecting MDMs to the well-understood reasoning frameworks of chain of thought (CoT) and padded looped transformers (PLTs) in the finite-precision log-width setting: We show that MDMs and polynomially-padded PLTs are, in fact, equivalent in this setting, and that MDMs can solve all problems that CoT-augmented transformers can. Moreover, we showcase classes of problems (including regular languages) for which MDMs are inherently more efficient than CoT transformers, where parallel generation allows for substantially faster reasoning.
Authors: Shiqin Tang, Rong Feng, Shuxin Zhuang, Youzhi Zhang, Hongzong Li
Abstract: We study counterfactual prediction under assignment bias and propose a mathematically grounded, information-theoretic approach that removes treatment-covariate dependence without adversarial training. Starting from a bound that links the counterfactual-factual risk gap to mutual information, we learn a stochastic representation Z that is predictive of outcomes while minimizing I(Z; T). We derive a tractable variational objective that upper-bounds the information term and couples it with a supervised decoder, yielding a stable, provably motivated training criterion. The framework extends naturally to dynamic settings by applying the information penalty to sequential representations at each decision time. We evaluate the method on controlled numerical simulations and a real-world clinical dataset, comparing against recent state-of-the-art balancing, reweighting, and adversarial baselines. Across metrics of likelihood, counterfactual error, and policy evaluation, our approach performs favorably while avoiding the training instabilities and tuning burden of adversarial schemes.
Authors: Achref Jaziri, Martin Rogmann, Martin Mundt, Visvanathan Ramesh
Abstract: Detecting out-of-distribution (OOD) data is critical for machine learning, be it for safety reasons or to enable open-ended learning. However, beyond mere detection, choosing an appropriate course of action typically hinges on the type of OOD data encountered. Unfortunately, the latter is generally not distinguished in practice, as modern OOD detection methods collapse distributional shifts into single scalar outlier scores. This work argues that scalar-based methods are thus insufficient for OOD data to be properly contextualized and prospectively exploited, a limitation we overcome with the introduction of DISC: Diffusion-based Statistical Characterization. DISC leverages the iterative denoising process of diffusion models to extract a rich, multi-dimensional feature vector that captures statistical discrepancies across multiple noise levels. Extensive experiments on image and tabular benchmarks show that DISC matches or surpasses state-of-the-art detectors for OOD detection and, crucially, also classifies OOD type, a capability largely absent from prior work. As such, our work enables a shift from simple binary OOD detection to a more granular detection.
Authors: Mostafa Ameli, Sulthana Shams, Van Anh Le, Alexander Skabardonis
Abstract: The traffic assignment problem is essential for traffic flow analysis, traditionally solved using mathematical programs under the Equilibrium principle. These methods become computationally prohibitive for large-scale networks due to non-linear growth in complexity with the number of OD pairs. This study introduces a novel data-driven approach using deep neural networks, specifically leveraging the Transformer architecture, to predict equilibrium path flows directly. By focusing on path-level traffic distribution, the proposed model captures intricate correlations between OD pairs, offering a more detailed and flexible analysis compared to traditional link-level approaches. The Transformer-based model drastically reduces computation time, while adapting to changes in demand and network structure without the need for recalculation. Numerical experiments are conducted on the Manhattan-like synthetic network, the Sioux Falls network, and the Eastern-Massachusetts network. The results demonstrate that the proposed model is orders of magnitude faster than conventional optimization. It efficiently estimates path-level traffic flows in multi-class networks, reducing computational costs and improving prediction accuracy by capturing detailed trip and flow information. The model also adapts flexibly to varying demand and network conditions, supporting traffic management and enabling rapid `what-if' analyses for enhanced transportation planning and policy-making.
Authors: Hong Wang, Jie Wang, Jian Luo, huanshuo dong, Yeqiu Chen, Runmin Jiang, Zhen huang
Abstract: Eigenvalue problems are among the most important topics in many scientific disciplines. With the recent surge and development of machine learning, neural eigenvalue methods have attracted significant attention as a forward pass of inference requires only a tiny fraction of the computation time compared to traditional solvers. However, a key limitation is the requirement for large amounts of labeled data in training, including operators and their eigenvalues. To tackle this limitation, we propose a novel method, named Sorting Chebyshev Subspace Filter (SCSF), which significantly accelerates eigenvalue data generation by leveraging similarities between operators -- a factor overlooked by existing methods. Specifically, SCSF employs truncated fast Fourier transform sorting to group operators with similar eigenvalue distributions and constructs a Chebyshev subspace filter that leverages eigenpairs from previously solved problems to assist in solving subsequent ones, reducing redundant computations. To the best of our knowledge, SCSF is the first method to accelerate eigenvalue data generation. Experimental results show that SCSF achieves up to a 3.5 times speedup compared to various numerical solvers.
Authors: Jiachen Zhao, Yiyou Sun, Weiyan Shi, Dawn Song
Abstract: Large language models can generate long chain-of-thought (CoT) reasoning, but it remains unclear whether the verbalized steps reflect the models' internal thinking. In this work, we propose a True Thinking Score (TTS) to quantify the causal contribution of each step in CoT to the model's final prediction. Our experiments show that LLMs often interleave between true-thinking steps (which are genuinely used to compute the final output) and decorative-thinking steps (which give the appearance of reasoning but have minimal causal influence). We reveal that only a small subset of the total reasoning steps causally drive the model's prediction: e.g., on AIME, only an average of 2.3% of reasoning steps in CoT have a TTS >= 0.7 (range: 0-1) for Qwen-2.5. Furthermore, we find that LLMs can be steered to internally follow or disregard specific steps in their verbalized CoT using the identified TrueThinking direction. We highlight that self-verification steps in CoT (i.e., aha moments) can be decorative, while steering along the TrueThinking direction can force internal reasoning over these steps. Overall, our work reveals that LLMs often verbalize reasoning steps without performing them internally, challenging the efficiency of LLM reasoning and the trustworthiness of CoT.
Authors: Zeyang Li, Kaveh Alim, Navid Azizan
Abstract: Diffusion and flow-matching have emerged as powerful methodologies for generative modeling, with remarkable success in capturing complex data distributions and enabling flexible guidance at inference time. Many downstream applications, however, demand enforcing hard constraints on generated samples (for example, robot trajectories must avoid obstacles), a requirement that goes beyond simple guidance. Prevailing projection-based approaches constrain the entire sampling path to the constraint manifold, which is overly restrictive and degrades sample quality. In this paper, we introduce a novel framework that reformulates hard-constrained sampling as a trajectory optimization problem. Our key insight is to leverage numerical optimal control to steer the sampling trajectory so that constraints are satisfied precisely at the terminal time. By exploiting the underlying structure of flow-matching models and adopting techniques from model predictive control, we transform this otherwise complex constrained optimization problem into a tractable surrogate that can be solved efficiently and effectively. Furthermore, this trajectory optimization perspective offers significant flexibility beyond mere constraint satisfaction, allowing for the inclusion of integral costs to minimize distribution shift and terminal objectives to further enhance sample quality, all within a unified framework. We provide a control-theoretic analysis of our method, establishing bounds on the approximation error between our tractable surrogate and the ideal formulation. Extensive experiments across diverse domains, including robotics (planning), partial differential equations (boundary control), and vision (text-guided image editing), demonstrate that our algorithm, which we name $\textit{HardFlow}$, substantially outperforms existing methods in both constraint satisfaction and sample quality.
Authors: Katarzyna Fojcik, Renaldas Zioma, Jogundas Armaitis
Abstract: Efficient machine learning deployment requires models that account for hardware constraints. Because binary logic gates are the fundamental primitives of digital hardware, models built directly from logic operations offer a promising path toward highly energy-efficient computation. Recent work has shown that networks of binary logic gates can be trained with gradient-based optimization and that their wiring can be learned. However, existing approaches remain limited in scalability and training efficiency. We address these challenges by treating the network connectome as a differentiable object and introducing a Top-K connectivity mechanism that enforces structured sparsity during training. Our resulting architecture, LILogicNet, substantially improves the efficiency of logic-gate networks. A model with only 8,000 gates trains on MNIST in under five minutes while achieving 98.45% test accuracy, matching the performance of state-of-the-art logic-gate models that require two orders of magnitude more gates. At larger scales, a 256,000-gate model achieves 60.98% test accuracy on CIFAR-10, surpassing prior approaches with comparable gate budgets. Because the final model is fully binarized and composed entirely of logic operations, inference incurs minimal compute overhead and maps naturally to a wide range of digital hardware platforms, enabling efficient deployment across diverse computing systems.
Authors: Falk Dippel, Yinan Yu, Annika Rosengren, Martin Lindgren, Christina E. Lundberg, Erik Aerts, Martin Adiels, Helen Sj\"oland
Abstract: Heart failure (HF) discharge planning depends on identifying patients at risk of deterioration or death, yet accurate prediction from routinely collected electronic health records (EHRs) remains challenging. We developed and validated sequence models for three one-year prediction tasks in a Swedish HF cohort (N = 42,820): clinical instability (a rehospitalization phenotype) and mortality after the initial in-hospital HF diagnosis, and mortality after the latest hospitalization. A modular three-component framework transforms structured EHRs into patient sequences by specifying tokenization strategies, temporal representations, and model configurations. Patient data included diagnoses, vital signs, laboratories, medications, and procedures. Autoregressive next-token prediction models consistently outperformed alternative objectives in short-context settings (<= 512 tokens). The best model (Llama) achieved AUPRCs (95% CI) of 0.555 (0.535-0.575), 0.582 (0.558-0.608), and 0.854 (0.842-0.865), with robust calibration. Ablations show Llama and Mamba variants learn efficient patient representations, with tiny configurations surpassing larger conventional baselines, indicating that model size alone does not improve performance. With limited clinical concepts or training data, Llama maintains strong performance, frequently surpassing full-data baselines. Combining clinical instability and mortality predictions defines four distinct care pathways, from standard primary care to intensive home care, supporting patient-centered decisions at discharge. These findings demonstrate accurate risk prediction from routine hospital data, provide actionable development guidance, and support post-discharge risk stratification.
Authors: Yifan He, Haodong Zhang, Qiuheng Song, Lin Lei, Zhenxuan Zeng, Haoyang He, Hongyan Wu
Abstract: Distributed Fiber Optic Sensing (DFOS) is promising for long-range perimeter security, yet practical deployment faces three key obstacles: severe cross-deployment domain shift, scarce or unavailable labels at new sites, and limited within-class coverage even in source deployments. We propose DUPLE, a prototype-based meta-learning framework tailored for cross-deployment DFOS recognition. The core idea is to jointly exploit complementary time- and frequency-domain cues and adapt class representations to sample-specific statistics: (i) a dual-domain learner constructs multi-prototype class representations to cover intra-class heterogeneity; (ii) a lightweight statistical guidance mechanism estimates the reliability of each domain from raw signal statistics; and (iii) a query-adaptive aggregation strategy selects and combines the most relevant prototypes for each query. Extensive experiments on two real-world cross-deployment benchmarks demonstrate consistent improvements over strong deep learning and meta-learning baselines, achieving more accurate and stable recognition under label-scarce target deployments.
Authors: Daniel Agyei Asante, Md Mokarram Chowdhury, Yang Li
Abstract: Large language models (LLMs) have driven major advances across domains, yet their massive size hinders deployment in resource-constrained settings. Low-rank factorization addresses this challenge by compressing models to effectively reduce their computation and memory consumption while maintaining accuracy. While these compressed models boast benign performance and system-level advantages, their trustworthiness implications remain poorly understood. In this paper, we present the first comprehensive study of how low-rank factorization affects LLM trustworthiness across privacy, adversarial robustness, ethics, and fairness, complemented by an explainability-driven analysis of the internal mechanisms behind these trust-related changes. We evaluate multiple LLMs of different sizes and architectures compressed with various low-rank factorization algorithms, revealing key insights: (1)low-rank factorization preserves training data privacy but weakens the protection of personally identifiable information during conversations; (2)adversarial robustness is generally enhanced under compression; (3)ethics degrades in zero-shot prompting but partially recovers in few-shot prompting; (4)fairness declines under compression. Beyond compression, we investigate how model scale and fine-tuning affect trustworthiness. Additionally, to move beyond black-box analysis, we employ a gradient-based attribution to identify which layers of LLMs contribute most to adversarial robustness.
Authors: Peiyu Yu, Suraj Kothawade, Sirui Xie, Ying Nian Wu, Hongliang Fei
Abstract: Most post-training methods for text-to-image samplers focus on model weights: either fine-tuning the backbone for alignment or distilling it for few-step efficiency. We take a different route: rescheduling the sampling timeline of a frozen sampler. Instead of a fixed, global schedule, we learn instance-level (prompt- and noise-conditioned) schedules through a single-pass Dirichlet policy. To ensure accurate gradient estimates in high-dimensional policy learning, we introduce a novel reward baseline based on a principled James-Stein estimator; it provably achieves lower estimation errors than commonly used variants and leads to superior performance. Our rescheduled samplers consistently improve text-image alignment including text rendering and compositional control across modern Stable Diffusion and Flux model families. Additionally, a 5-step Flux-Dev sampler with our schedules can attain generation quality comparable to deliberately distilled samplers like Flux-Schnell. We thus position our scheduling framework as an emerging model-agnostic post-training lever that unlocks additional generative potential in pretrained samplers.
Authors: Changhun Kim, Yechan Mun, Hyeongwon Jang, Eunseo Lee, Sangchul Hahn, Eunho Yang
Abstract: Explaining online time series monitoring models is crucial across sensitive domains such as healthcare and finance, where temporal and contextual prediction dynamics underpin critical decisions. While recent XAI methods have improved the explainability of time series models, they mostly analyze each time step independently, overlooking temporal dependencies. This results in further challenges: explaining prediction changes is non-trivial, methods fail to leverage online dynamics, and evaluation remains difficult. To address these challenges, we propose Delta-XAI, which adapts 14 existing XAI methods through a wrapper function and introduces a principled evaluation suite for the online setting, assessing diverse aspects, such as faithfulness, sufficiency, and coherence. Experiments reveal that classical gradient-based methods, such as Integrated Gradients (IG), can outperform recent approaches when adapted for temporal analysis. Building on this, we propose Shifted Window Integrated Gradients (SWING), which incorporates past observations in the integration path to systematically capture temporal dependencies and mitigate out-of-distribution effects. Extensive experiments consistently demonstrate the effectiveness of SWING across diverse settings with respect to diverse metrics. Our code is publicly available at https://github.com/AITRICS/Delta-XAI.
Authors: Dingwei Zhu, Zhiheng Xi, Shihan Dou, Yuhui Wang, Sixian Li, Junjie Ye, Honglin Guo, Shichun Liu, Chenhao Huang, Yajie Yang, Junlin Shang, Senjie Jin, Ming Zhang, Jiazheng Zhang, Caishuang Huang, Yunke Zhang, Yuran Wang, Tao Gui
Abstract: Reinforcement learning (RL) has shown strong performance in LLM post-training, but real-world deployment often involves noisy or incomplete supervision. In such settings, complex and unreliable supervision signals can destabilize training and harm generalization. While existing approaches such as worst-case optimization (e.g., RFQI, CQL) and mean-based methods (e.g., PPO, GRPO) can improve stability, they often overlook generalization and may produce overly conservative policies, leading to uneven performance across diverse real scenarios. To this end, we introduce DVPO (Distributional Value Modeling with Risk-aware Policy Optimization), a new RL framework that combines conditional risk theory with distributional value modeling to better balance robustness and generalization. DVPO learns token-level value distributions to provide fine-grained supervision, and applies an asymmetric risk regularization to shape the distribution tails: it contracts the lower tail to dampen noisy negative deviations, while expanding the upper tail to preserve exploratory diversity. Across extensive experiments and analysis in multi-turn dialogue, math reasoning, and scientific QA, DVPO consistently outperforms PPO, GRPO, and robust Bellman-based PPO under noisy supervision, showing its potential for LLM post-training in the real-world.
Authors: Jinglue Xu, Qi Sun, Peter Schwendeman, Stefan Nielsen, Edoardo Cetin, Yujin Tang
Abstract: Combining diverse foundation models is promising, but weight-merging is limited by mismatched architectures and closed APIs. Trinity addresses this with a lightweight coordinator that orchestrates collaboration among large language models (LLMs). The coordinator, comprising a compact language model (approximately $0.6$B parameters) and a lightweight head (approximately $10$K parameters), is optimized with an evolutionary strategy for efficient and adaptive delegation. Trinity processes queries over multiple turns, where at each turn the coordinator assigns one of three roles (Thinker, Worker, or Verifier) to a selected LLM, effectively offloading complex skill acquisition from the coordinator itself. Experiments show that Trinity consistently outperforms individual models and existing methods across coding, math, reasoning, and domain knowledge tasks, and generalizes robustly to out-of-distribution tasks. On standard benchmarks, Trinity achieves state-of-the-art results, including a score of 86.2% on LiveCodeBench. Theoretical and empirical analyses identify two main factors behind this performance: (1) the coordinator's hidden-state representations provide rich contextualization of inputs, and (2) under high dimensionality and strict budget constraints, the separable Covariance Matrix Adaptation Evolution Strategy offers advantages over reinforcement learning, imitation learning, and random search by exploiting potential block-epsilon-separability.
Authors: Pouya Ahadi, Reza Marzban, Ali Adibi, Kamran Paynabar
Abstract: Bayesian optimization is widely used for optimizing expensive black box functions, but most existing approaches focus on scalar responses. In many scientific and engineering settings the response is functional, varying smoothly over an index such as time or wavelength, which makes classical formulations inadequate. Existing methods often minimize integrated error, which captures average performance but neglects worst case deviations. To address this limitation we propose min-max Functional Bayesian Optimization (MM-FBO), a framework that directly minimizes the maximum error across the functional domain. Functional responses are represented using functional principal component analysis, and Gaussian process surrogates are constructed for the principal component scores. Building on this representation, MM-FBO introduces an integrated uncertainty acquisition function that balances exploitation of worst case expected error with exploration across the functional domain. We provide two theoretical guarantees: a discretization bound for the worst case objective, and a consistency result showing that as the surrogate becomes accurate and uncertainty vanishes, the acquisition converges to the true min-max objective. We validate the method through experiments on synthetic benchmarks and physics inspired case studies involving electromagnetic scattering by metaphotonic devices and vapor phase infiltration. Results show that MM-FBO consistently outperforms existing baselines and highlights the importance of explicitly modeling functional uncertainty in Bayesian optimization.
Authors: Kesheng Chen, Yamin Hu, Zhenqian Zhu, Yiya Diao, Wenjian Luo
Abstract: Navigating the capability--efficiency trade-off in Large Language Models (LLMs) requires approximating a high-quality Pareto set. Existing model merging research has focused predominantly on coarse model-level operators, which are easy to apply but offer limited control over the trade-off geometry. Layer-wise merging is more expressive, yet current methods still suffer from two bottlenecks: they treat the high-dimensional fusion space as an unstructured black box, and they rely on synchronous optimization despite highly uneven LLM evaluation latency. We propose Asynchronous Prior-guided Bayesian Model Merging (AP-BMM), which addresses these issues with a discrepancy-derived importance prior that initializes the surrogate geometry and an event-driven optimization loop built on pending-aware hypervolume improvement. Under a common evaluation budget, AP-BMM yields stronger Pareto-set approximations than both synchronous layer-wise baselines and representative model-level merging methods, with higher hypervolume and broader coverage of the trade-off frontier. Against the synchronous Bayesian baseline, it also achieves substantially shorter wall-clock time. Code: https://github.com/MiLab-HITSZ/AP-BMM.
Authors: Sandy Fraser, Patryk Wielopolski
Abstract: We introduce Sparse Concept Anchoring, a method that biases latent space to position a targeted subset of concepts while allowing others to self-organize, using only minimal supervision (labels for <0.1% of examples per anchored concept). Training combines activation normalization, a separation regularizer, and anchor or subspace regularizers that attract rare labeled examples to predefined directions or axis-aligned subspaces. The anchored geometry enables two practical interventions: reversible behavioral steering that projects out a concept's latent component at inference, and permanent removal via targeted weight ablation of anchored dimensions. Experiments on structured autoencoders show selective attenuation of targeted concepts with negligible impact on orthogonal features, and complete elimination with reconstruction error approaching theoretical bounds. Sparse Concept Anchoring therefore provides a practical pathway to interpretable, steerable behavior in learned representations.
Authors: Yunpeng Xu, Wenge Guo, Zhi Wei
Abstract: Reliable uncertainty quantification is essential for deploying machine learning systems in high-stakes domains. Conformal prediction provides distribution-free coverage guarantees but often produces overly large prediction sets, limiting its practical utility. To address this issue, we propose \textit{Selective Conformal Risk Control} (SCRC), a unified framework that integrates conformal prediction with selective classification. The framework formulates uncertainty control as a two-stage problem: the first stage selects confident samples for prediction, and the second stage applies conformal risk control on the selected subset to construct calibrated prediction sets. We develop two algorithms under this framework. The first, SCRC-T, preserves exchangeability by computing thresholds jointly over calibration and test samples, offering exact finite-sample guarantees. The second, SCRC-I, is a calibration-only variant that provides PAC-style probabilistic guarantees while being more computational efficient. Experiments on two public datasets show that both methods achieve the target coverage and risk levels, with nearly identical performance, while SCRC-I exhibits slightly more conservative risk control but superior computational practicality. Our results demonstrate that selective conformal risk control offers an effective and efficient path toward compact, reliable uncertainty quantification.
Authors: Kausthubh Manda, Raghuram Bharadwaj Diddigi
Abstract: We study offline multitask reinforcement learning in settings where multiple tasks share a low-rank representation of their action-value functions. In this regime, a learner is provided with fixed datasets collected from several related tasks, without access to further online interaction, and seeks to exploit shared structure to improve statistical efficiency and generalization. We analyze a multitask variant of fitted Q-iteration that jointly learns a shared representation and task-specific value functions via Bellman error minimization on offline data. Under standard realizability and coverage assumptions commonly used in offline reinforcement learning, we establish finite-sample generalization guarantees for the learned value functions. Our analysis explicitly characterizes how pooling data across tasks improves estimation accuracy, yielding a $1/\sqrt{nT}$ dependence on the total number of samples across tasks, while retaining the usual dependence on the horizon and concentrability coefficients arising from distribution shift. In addition, we consider a downstream offline setting in which a new task shares the same underlying representation as the upstream tasks. We study how reusing the representation learned during the multitask phase affects value estimation for this new task, and show that it can reduce the effective complexity of downstream learning relative to learning from scratch. Together, our results clarify the role of shared representations in multitask offline Q-learning and provide theoretical insight into when and how multitask structure can improve generalization in model-free, value-based reinforcement learning.
Authors: Maximilian Weichart
Abstract: Monte Carlo Tree Search (MCTS) has profoundly influenced reinforcement learning (RL) by integrating planning and learning in tasks requiring long-horizon reasoning, exemplified by the AlphaZero family of algorithms. Central to MCTS is the search strategy, governed by a tree policy based on an upper confidence bound (UCB) applied to trees (UCT). A key factor in the success of AlphaZero is the introduction of a prior term in the UCB1-based tree policy PUCT, which improves exploration efficiency and thus accelerates training. While many alternative UCBs with stronger theoretical guarantees than UCB1 exist, extending them to prior-based UCTs has been challenging, since PUCT was derived empirically rather than from first principles. Recent work retrospectively justified PUCT by framing MCTS as a regularized policy optimization (RPO) problem. Building on this perspective, we introduce Inverse-RPO, a general methodology that systematically derives prior-based UCTs from a broad class of prior-free UCBs. Applying this method to the variance-aware UCB-V, we obtain two new prior-based tree policies that incorporate variance estimates into the search. Experiments indicate that these variance-aware prior-based UCTs outperform PUCT across multiple benchmarks without incurring additional computational cost. We also provide an extension of the mctx library supporting variance-aware UCTs, showing that the required code changes are minimal and intended to facilitate further research on principled prior-based UCTs. Code: github.com/Max-We/inverse-rpo.
Authors: Aicha Boutorh, Kamar Hibatallah Baghdadi, Anais Daoud
Abstract: Genomic prediction of drug resistance in Mycobacterium tuberculosis is often hindered by complex epistatic interactions and variable sequencing quality. We present the Interpretable Variant-Aware Multi-Path Network (VAMP-Net), a novel architecture addressing these challenges through a dual-pathway approach. Path-1 utilizes a Set Attention Transformer to model permutation-invariant variant sets and capture epistatic dependencies, while Path-2 employs a 1D-CNN to analyze VCF quality metrics for adaptive confidence scoring. Evaluated on four critical anti-TB drugs, VAMP-Net significantly outperforms baseline CNN and MLP models, achieving accuracies > 95% and AUCs around 0.97 for Rifampicin and Rifabutin. Feature attribution analysis via Integrated Gradients successfully recovered canonical targets (rpoB, embB, katG) and discovered high-impact novel loci. Functional enrichment confirmed these novel variants constitute non-random metabolic modules (p=0.00239) centered on cell-wall remodeling. Furthermore, systematic ablation of the Quality-Aware pathway demonstrates that the model performs a learned "integrated audit," prioritizing the Fraction of Supporting Reads and relative confidence over raw depth to mitigate technical noise. This dual-layer interpretability, bridging genomic pathogenicity with technical reliability, establishes a new paradigm for robust, auditable, and clinically actionable resistance prediction, positioning VAMP-Net as an important tool for both diagnostic classification and mechanistic discovery in clinical genomics.
Authors: Sumit S. Shevtekar, Chandresh K. Maurya, Gourab Sil
Abstract: Time pressure critically influences risky maneuvers and crash proneness among powered two-wheeler riders, yet its prediction remains underexplored in intelligent transportation systems. We present a large-scale dataset of 129,000+ labeled multivariate time-series sequences from 153 rides by 51 participants under No, Low, and High Time Pressure conditions. Each sequence captures 63 features spanning vehicle kinematics, control inputs, behavioral violations, and environmental context. Our empirical analysis shows High Time Pressure induces 48% higher speeds, 36.4% greater speed variability, 58% more risky turns at intersections, 36% more sudden braking, and 50% higher rear brake forces versus No Time Pressure. To benchmark this dataset, we propose MotoTimePressure, a deep learning model combining convolutional preprocessing, dual-stage temporal attention, and Squeeze-and-Excitation feature recalibration, achieving 91.53% accuracy and 98.93% ROC AUC, outperforming six baselines, with only 172K parameters, 0.66 MB model size, and 0.21 ms inference on CPU. Since time pressure cannot be directly measured in real time, we demonstrate its utility in collision prediction and threshold determination. Using MTPS-predicted time pressure as a feature improves collision risk accuracy for both Informer (91.25% to 93.51%) and TimesNet (92.10% to 93.90%), approaching oracle performance (93.72% and 94.06%, respectively). Thresholded time pressure states capture rider cognitive stress and enable proactive ITS interventions, including adaptive alerts, haptic feedback, V2I signaling, and speed guidance, supporting safer two-wheeler mobility under the Safe System Approach.
Authors: Mehmet Velioglu, Song Zhai, Alexander Mitsos, Adel Mhamdi, Andreas Jupke, Manuel Dahmen
Abstract: Separating liquid-liquid dispersions in gravity settlers is critical in chemical, pharmaceutical, and recycling processes. The dense-packed zone height is an important performance and safety indicator but it is often expensive and impractical to measure due to optical limitations. We propose a framework to estimate phase heights by combining a PINN model with readily available volume flow measurements, without requiring phase height measurements during deployment. To this end, a physics-informed neural network (PINN) is first pretrained on synthetic data and physics equations derived from a low-fidelity (approximate) mechanistic model to reduce the need for extensive experimental data. While the mechanistic model is used to generate synthetic training data, only volume balance equations are used in the PINN, as incorporating droplet coalescence and sedimentation submodels would be computationally prohibitive. The pretrained PINN is then fine-tuned with scarce experimental phase height and flow-rate data to capture the actual dynamics of the separator. We then deploy the differentiable PINN as a predictive model in an Extended Kalman Filter inspired state estimation framework, enabling the phase heights to be tracked and updated using flow-rate measurements only. We first test the two-stage trained PINN by forward simulation from a known initial state against the mechanistic model and a non-pretrained PINN. We then evaluate phase height estimation performance with the filter, comparing the two-stage trained PINN with a two-stage trained purely data-driven neural network. All model types are trained and evaluated using ensembles to account for model parameter uncertainty. In all evaluations, the two-stage trained PINN yields the most accurate phase-height estimates.
Authors: Donghwan Lee, Hyukjun Yang
Abstract: Markov decision problems are most commonly solved via dynamic programming. Another approach is Bellman residual minimization, which directly minimizes the squared Bellman residual objective function. However, compared to dynamic programming, this approach has received relatively less attention, mainly because it is often less efficient in practice and can be more difficult to extend to model-free settings such as reinforcement learning. Nonetheless, Bellman residual minimization has several advantages that make it worth investigating, such as more stable convergence with function approximation for value functions. While Bellman residual methods for policy evaluation have been widely studied, methods for policy optimization (control tasks) have been scarcely explored. In this paper, we establish foundational results for the control Bellman residual minimization for policy optimization.
Authors: Yiqiao Liao, Farinaz Koushanfar, Parinaz Naghizadeh
Abstract: Unsupervised neural combinatorial optimization (NCO) enables learning powerful solvers without access to ground-truth solutions. Existing approaches fall into two disjoint paradigms: models trained for generalization across instances, and instance-specific models optimized independently at test time. While the former are efficient during inference, they lack effective instance-wise adaptability; the latter are flexible but fail to exploit learned inductive structure and are prone to poor local optima. This motivates the central question of our work: how can we leverage the inductive bias learned through generalization while unlocking the flexibility required for effective instance-wise adaptation? We first identify a challenge in bridging these two paradigms: generalization-focused models often constitute poor warm starts for instance-wise optimization, potentially underperforming even randomly initialized models when fine-tuned at test time. To resolve this incompatibility, we propose TACO, a model-agnostic test-time adaptation framework that unifies and extends the two existing paradigms for unsupervised NCO. TACO applies strategic warm-starting to partially relax trained parameters while preserving inductive bias, enabling rapid and effective unsupervised adaptation. Crucially, compared to naively fine-tuning a trained generalizable model or optimizing an instance-specific model from scratch, TACO achieves better solution quality while incurring negligible additional computational cost. Experiments on the canonical problems of minimum vertex cover, maximum clique, maximum independent set, and max cut demonstrate the effectiveness and robustness of TACO across static, distribution-shifted, and dynamic combinatorial optimization problems, establishing it as a practical bridge between generalizable and instance-specific unsupervised NCO.
Authors: Fan Chen, Sinho Chewi, Constantinos Daskalakis, Alexander Rakhlin
Abstract: We present algorithms for diffusion model sampling which obtain $\delta$-error in $\mathrm{polylog}(1/\delta)$ steps, given access to $\widetilde O(\delta)$-accurate score estimates in $L^2$. This is an exponential improvement over all previous results. Specifically, under minimal data assumptions, the complexity is $\widetilde O(d_\star \mathrm{polylog}(1/\delta))$ where $d_\star$ is the intrinsic dimension of the data. Further, under a non-uniform $L$-Lipschitz condition, the complexity reduces to $\widetilde O(L \mathrm{polylog}(1/\delta))$. Our approach also yields the first $\mathrm{polylog}(1/\delta)$ complexity sampler for general log-concave distributions using only gradient evaluations.
Authors: Xuancheng Li, Haitao Li, Yujia Zhou, Yiqun Liu, Qingyao Ai
Abstract: Large language models (LLMs) are largely static and often redo reasoning or repeat mistakes. Prior experience reuse typically relies on external retrieval, which is similarity-based, can introduce noise, and adds latency. We introduce SEAM (Structured Experience Adapter Module), a lightweight, executor-specific plug-in that stores experience in its parameters and generates a structured, instance-tailored experience entry in a single forward pass to guide a frozen LLM executor. SEAM is trained for utility via executor rollouts and GRPO while keeping the executor frozen, and it can be further improved after deployment with supervised fine-tuning on logged successful trajectories. Experiments on mathematical reasoning benchmarks show consistent accuracy gains across executors with low overhead. Extensive ablations and analyses further elucidate the mechanisms underlying SEAM's effectiveness and robustness.
Authors: Samaresh Kumar Singh, Joyjit Roy
Abstract: Though Explainable AI (XAI) has made significant advancements, its inclusion in edge and IoT systems is typically ad-hoc and inefficient. Most current methods are "coupled" in such a way that they generate explanations simultaneously with model inferences. As a result, these approaches incur redundant computation, high latency and poor scalability when deployed across heterogeneous sets of edge devices. In this work we propose Explainability-as-a-Service (XaaS), a distributed architecture for treating explainability as a first-class system service (as opposed to a model-specific feature). The key innovation in our proposed XaaS architecture is that it decouples inference from explanation generation allowing edge devices to request, cache and verify explanations subject to resource and latency constraints. To achieve this, we introduce three main innovations: (1) A distributed explanation cache with a semantic similarity based explanation retrieval method which significantly reduces redundant computation; (2) A lightweight verification protocol that ensures the fidelity of both cached and newly generated explanations; and (3) An adaptive explanation engine that chooses explanation methods based upon device capability and user requirement. We evaluated the performance of XaaS on three real-world edge-AI use cases: (i) manufacturing quality control; (ii) autonomous vehicle perception; and (iii) healthcare diagnostics. Experimental results show that XaaS reduces latency by 38% while maintaining high explanation quality across three real-world deployments. Overall, this work enables the deployment of transparent and accountable AI across large scale, heterogeneous IoT systems, and bridges the gap between XAI research and edge-practicality.
Authors: Mounir Lbath (X), Alexandre Par\'esy (X), Abdelkayoum Kaddouri (X), Abdelrahman Zighem (ENS-PSL, SODA), Jill-J\^enn Vie (SODA)
Abstract: Deep knowledge tracing models have achieved significant breakthroughs in modeling student learning trajectories. However, these architectures require substantial training time and are prone to overfitting on datasets with short sequences. In this paper, we explore a new paradigm for knowledge tracing by leveraging tabular foundation models (TFMs). Unlike traditional methods that require offline training on a fixed training set, our approach performs real-time ''live'' knowledge tracing in an online way via in-context learning. TFMs align testing sequences with relevant training sequences at inference time, therefore skipping the training step entirely. We demonstrate, using several datasets of increasing size, that our method achieves competitive predictive performance with up to 53x speedups on average, in a setting where student interactions are observed progressively over time.
Authors: Bilgehan Sel, Vaishakh Keshava, Phillip Wallis, Lukas Rutishauser, Ming Jin, Dingcheng Li
Abstract: Addressing the critical need for robust safety in Large Language Models (LLMs), particularly against adversarial attacks and in-distribution errors, we introduce Reinforcement Learning with Backtracking Feedback (RLBF). This framework advances upon prior methods, such as BSAFE, by primarily leveraging a Reinforcement Learning (RL) stage where models learn to dynamically correct their own generation errors. Through RL with critic feedback on the model's live outputs, LLMs are trained to identify and recover from their actual, emergent safety violations by emitting an efficient "backtrack by x tokens" signal, then continuing generation autoregressively. This RL process is crucial for instilling resilience against sophisticated adversarial strategies, including middle filling, Greedy Coordinate Gradient (GCG) attacks, and decoding parameter manipulations. To further support the acquisition of this backtracking capability, we also propose an enhanced Supervised Fine-Tuning (SFT) data generation strategy (BSAFE+). This method improves upon previous data creation techniques by injecting violations into coherent, originally safe text, providing more effective initial training for the backtracking mechanism. Comprehensive empirical evaluations demonstrate that RLBF significantly reduces attack success rates across diverse benchmarks and model scales, achieving superior safety outcomes while critically preserving foundational model utility.
Authors: Frank Xiao, Santiago Aranguri
Abstract: We propose probe-based data attribution, a method that traces behavioral changes in post-trained language models to responsible training datapoints. By computing activation-difference vectors for both test prompts and preference pairs and ranking by cosine similarity, we identify datapoints that cause specific behaviors and validate these attributions causally by retraining with modified data. Clustering behavior-datapoint similarity matrices also enables unsupervised discovery of emergent behaviors. Applying this to OLMo 2's production DPO training, we surfaced distractor-triggered compliance: a harmful behavior where the model complies with dangerous requests when benign formatting instructions are appended. Filtering top-ranked datapoints reduces this behavior by 63% while switching their labels achieves 78%. Our method outperforms gradient-based attribution and LLM-judge baselines while being over 10 times cheaper than both. This in-the-wild model organism - emerging from contaminated preference data rather than deliberate injection - provides a realistic benchmark for safety techniques.
Authors: Olivier Jeunen, Shashank Gupta
Abstract: Off-policy evaluation (OPE) is essential for assessing ranking and recommendation systems without costly online interventions. Self-Normalised Inverse Propensity Scoring (SNIPS) is a standard tool for variance reduction in OPE, leveraging a multiplicative control variate. Recent advances in off-policy learning suggest that additive control variates (baseline corrections) may offer superior performance, yet theoretical guarantees for evaluation are lacking. This paper provides a definitive answer: we prove that $\beta^\star$-IPS, an estimator with an optimal additive baseline, asymptotically dominates SNIPS in Mean Squared Error. By analytically decomposing the variance gap, we show that SNIPS is asymptotically equivalent to using a specific -- but generally sub-optimal -- additive baseline. Our results theoretically justify shifting from self-normalisation to optimal baseline corrections for both ranking and recommendation.
Authors: Erion Morina, Philipp Scholl, Martin Holler
Abstract: Models based on partial differential equations (PDEs) are powerful for describing a wide range of complex phenomena in the natural sciences. Accurately identifying the PDE model, which represents the underlying physical law, is essential for a proper understanding of the problem. This reconstruction typically relies on indirect and noisy measurements of the system's state and, without specifically tailored methods, rarely yields symbolic expressions, thereby limiting interpretability. In this work, we address this limitation by considering neural network architectures based on rational functions for the symbolic representation of physical laws. These networks combine the approximation power of rational functions with the flexibility to represent arithmetic operations, and generalize ParFam and EQL-type architectures used in symbolic regression for physical law learning. We further establish regularity results for these symbolic networks. Our main contribution is a reconstruction result showing that, if there exists an admissible physical law that is expressible within the symbolic network architecture, then in the limit of noiseless and complete measurements, symbolic networks recover a physical law within the PDE model that is representable by the architecture. Moreover, the recovered law corresponds to a regularization-minimizing parameterization, promoting interpretability and sparsity in case of $L^1$-regularization. Under an additional identifiability condition, the unique true physical law is recovered. These reconstruction and regularity results are derived at the continuous level prior to discretization due to a formulation in function space. Empirical results using the ParFam architecture are consistent with the theoretical findings and suggest the feasibility of reconstructing interpretable physical laws in practice.
Authors: Ren Kishimoto, Rikiya Takehi, Koichi Tanaka, Masahiro Nomura, Riku Togashi, Yoji Tomita, Yuta Saito
Abstract: On two-sided matching platforms such as online dating and recruiting, recommendation algorithms often aim to maximize the total number of matches. However, this objective creates an imbalance, where some users receive far too many matches while many others receive very few and eventually abandon the platform. Retaining users is crucial for many platforms, such as those that depend heavily on subscriptions. Some may use fairness objectives to solve the problem of match maximization. However, fairness in itself is not the ultimate objective for many platforms, as users do not suddenly reward the platform simply because exposure is equalized. In practice, where user retention is often the ultimate goal, casually relying on fairness will leave the optimization of retention up to luck. In this work, instead of maximizing matches or axiomatically defining fairness, we formally define the new problem setting of maximizing user retention in two-sided matching platforms. To this end, we introduce a dynamic learning-to-rank (LTR) algorithm called Matching for Retention (MRet). Unlike conventional algorithms for two-sided matching, our approach models user retention by learning personalized retention curves from each user's profile and interaction history. Based on these curves, MRet dynamically adapts recommendations by jointly considering the retention gains of both the user receiving recommendations and those who are being recommended, so that limited matching opportunities can be allocated where they most improve overall retention. Naturally but importantly, empirical evaluations on synthetic and real-world datasets from a major online dating platform show that MRet achieves higher user retention, since conventional methods optimize matches or fairness rather than retention.
Authors: Sourav Chakraborty, Amit Kiran Rege, Claire Monteleoni, Lijun Chen
Abstract: We introduce Flickering Multi-Armed Bandits (FMAB) to model sequential decision-making in environments with changing action availability, where accessibility of the next action is restricted to a subset dependent on the agent's current choice. We formalize these constraints through stochastically evolving graphs where actions are limited to local neighborhoods. This mobility-constrained structure imposes a dual challenge: the statistical requirement of information acquisition and the physical overhead of navigation. We analyze FMAB under i.i.d. Erd\H{o}s--R'enyi and Edge-Markovian process, proposing a two-phase lazy random walk algorithm for robust exploration. We establish high-probability sublinear regret bounds and prove near-optimality via a matching information-theoretic lower bound. Our results characterize the intrinsic cost of learning under local-move constraints, complemented by a robotic disaster-response simulation.
Authors: Gurjeet Sangra Singh, Frantzeska Lavda, Giangiacomo Mercatali, Alexandros Kalousis
Abstract: Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based simulation models described by ODEs/PDEs remain interpretable, but may have missing or unknown terms, unable to fully describe real-world observations. We bridge this gap with a novel grey-box method that integrates incomplete physics models directly into generative models. Our approach learns dynamics from observational trajectories alone, without ground-truth physics parameters, in a simulation-free manner that avoids scalability and stability issues of Neural ODEs. The core of our method lies in modelling a structured variational distribution within the flow matching framework, by using two latent encodings: one to model the missing stochasticity and multi-modal velocity, and a second to encode physics parameters as a latent variable with a physics-informed prior. Furthermore, we present an adaptation of the framework to handle second-order dynamics. Our experiments on representative ODE/PDE problems and real-world weather forecasting demonstrate that our method performs on par with or superior to fully data-driven approaches and previous grey-box baselines, while preserving the interpretability of the physics model. Our code is available at https://github.com/DMML-Geneva/VGB-DM.
Authors: Xueyao Wang, Xiuding Cai, Honglin Shang, Yaoyao Zhu, Yu Yao
Abstract: Early warning of intraoperative adverse events plays a vital role in reducing surgical risk and improving patient safety. While deep learning has shown promise in predicting the single adverse event, several key challenges remain: overlooking adverse event dependencies, underutilizing heterogeneous clinical data, and suffering from the class imbalance inherent in medical datasets. To address these issues, we construct the first Multi-label Adverse Events dataset (MuAE) for intraoperative adverse events prediction, covering six critical events. Next, we propose a novel Transformerbased multi-label learning framework (IAENet) that combines an improved Time-Aware Feature-wise Linear Modulation (TAFiLM) module for static covariates and dynamic variables robust fusion and complex temporal dependencies modeling. Furthermore, we introduce a Label-Constrained Reweighting Loss (LCRLoss) with co-occurrence regularization to effectively mitigate intra-event imbalance and enforce structured consistency among frequently co-occurring events. Extensive experiments demonstrate that IAENet consistently outperforms strong baselines on 5, 10, and 15-minute early warning tasks, achieving improvements of +5.05%, +2.82%, and +7.57% on average F1 score. These results highlight the potential of IAENet for supporting intelligent intraoperative decision-making in clinical practice.
Authors: Gyujun Jeong (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Sungwon Cho (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Minji Shon (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Namhoon Kim (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Woohyun Hwang (Semiconductor Research and Development, Samsung Electronics Co., Ltd, South Korea), Kwangyou Seo (Semiconductor Research and Development, Samsung Electronics Co., Ltd, South Korea), Suhwan Lim (Semiconductor Research and Development, Samsung Electronics Co., Ltd, South Korea), Wanki Kim (Semiconductor Research and Development, Samsung Electronics Co., Ltd, South Korea), Daewon Ha (Semiconductor Research and Development, Samsung Electronics Co., Ltd, South Korea), Prasanna Venkatesan (NVIDIA, Santa Clara, CA, USA), Kihang Youn (NVIDIA, Santa Clara, CA, USA), Ram Cherukuri (NVIDIA, Santa Clara, CA, USA), Yiyi Wang (NVIDIA, Santa Clara, CA, USA), Suman Datta (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Asif Khan (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA), Shimeng Yu (School of Electrical and Computer Engineering, Georgia Institute of Technology, GA, USA)
Abstract: Ferroelectric field-effect transistors (FeFET)-based vertical NAND (Fe-VNAND) has emerged as a promising candidate to overcome z-scaling limitations with lower programming voltages. However, the data retention of 3D Fe-VNAND is hindered by the complex interaction between charge detrapping and ferroelectric depolarization. Developing optimized device designs requires exploring an extensive parameter space, but the high computational cost of conventional Technology Computer-Aided Design (TCAD) tools makes such wide-scale optimization impractical. To overcome these simulation barriers, we present a Physics-Informed Neural Operator (PINO)-based AI surrogate model designed for high-efficiency prediction of threshold voltage (Vth) shifts and retention behavior. By embedding fundamental physical principles into the learning architecture, our PINO framework achieves a speedup exceeding 10000x compared to TCAD while maintaining physical accuracy. The resulting surrogate provides a physics-consistent data engine for compact model parameter extraction and look-up-table (LUT) generation, directly supporting reliability-aware SPICE simulation of Fe-VNAND. This study demonstrates the model's effectiveness on a single FeFET configuration, serving as a pathway toward modeling the retention loss mechanisms.
Authors: Yi Su, Zhenxu Tian, Dan Qiao, Yuechi Zhou, Juntao Li, Min Zhang
Abstract: Recent reasoning models such as OpenAI-o1 and DeepSeek-R1 have shown strong performance on complex tasks including mathematical reasoning and code generation. However, this performance gain comes with substantially longer output sequences, leading to significantly increased deployment costs. In particular, long outputs require large KV caches, resulting in high memory consumption and severe bandwidth pressure during attention computation. Most existing KV cache optimization methods are designed for long-input, short-output scenarios and are ineffective for the long-output setting of reasoning models. Moreover, importance estimation in prior work is computationally expensive and becomes prohibitive when continuous re-evaluation is required during long generation. To address these challenges, we propose LongFlow, a KV cache compression method with an efficient importance estimation metric derived from an intermediate result of attention computation using only the current query. This design introduces negligible computational overhead and requires no auxiliary storage. We further develop a custom kernel that fuses FlashAttention, importance estimation, and token eviction into a single optimized operator, improving system-level efficiency. Experiments show that LongFlow achieves up to an 11.8 times throughput improvement with 80% KV cache compression with minimal impact on model accuracy.
Authors: Zicheng Lyu, Zengfeng Huang
Abstract: Nonasymptotic diffusion analyses often decompose sampling error into score estimation, continuous reverse-time propagation, discretization, and terminal conversion. We isolate the propagation module on certified scalar-isotropic reverse-SDE windows, with terminal quadratic-Wasserstein reporting as the goal. The propagated object is not $W_2^2$, but an affine-tail transportation cost adapted to the learned drift. Reflection coupling exposes the learned reverse drift through a worst-case pairwise radial profile and reduces stability to a one-dimensional comparison. This reduction separates consistency from stability. Score-modeling and solver residuals quantify error injection and enter as additive forcing; radial load--reserve geometry quantifies error amplification and supplies the Wasserstein stability certificate. The obstruction is a barrier: an increasing concave cost must spend slope to cross adverse radial load before exploiting a contractive tail reserve. Hardy capacity measures this bottleneck, finite load before reserve yields an explicit affine-tail cost, and the main theorem propagates this adapted cost with separate score, solver, geometry, and terminal-reporting inputs. Terminal tails, moments, or bounded support are used only afterward to convert the affine-tail bound into $W_2^2$. The framework recovers uniformly dissipative propagation, converts bounded-amplitude perturbations into finite inverse-radius load, and gives analytic certificates for common-covariance Gaussian-mixture smoothing windows. We also prove that one-sided adverse height, even with eventual reserve, does not determine the radial Hardy scale, and realize this separation by smooth one-dimensional drifts. For fixed learned drifts, we provide deterministic and PAC compact certification templates.
Authors: Yuze Qin, Qingyong Li, Zhiqing Guo, Wen Wang, Yan Liu, Yangli-ao Geng
Abstract: Precipitation nowcasting is critical for disaster mitigation and aviation safety. However, radar-only models frequently suffer from a lack of large-scale atmospheric context, leading to performance degradation at longer lead times. While integrating meteorological variables predicted by weather foundation models offers a potential remedy, existing architectures fail to reconcile the profound representational heterogeneities between radar imagery and meteorological data. To bridge this gap, we propose PW-FouCast, a novel frequency-domain fusion framework that leverages Pangu-Weather forecasts as spectral priors within a Fourier-based backbone. Our architecture introduces three key innovations: (i) Pangu-Weather-guided Frequency Modulation to align spectral magnitudes and phases with meteorological priors; (ii) Frequency Memory to correct phase discrepancies and preserve temporal evolution; and (iii) Inverted Frequency Attention to reconstruct high-frequency details typically lost in spectral filtering. Extensive experiments on the SEVIR and MeteoNet benchmarks demonstrate that PW-FouCast achieves state-of-the-art performance, effectively extending the reliable forecast horizon while maintaining structural fidelity. Our code is available at https://github.com/Onemissed/PW-FouCast.
Authors: Heng Wu, Junjie Wang, Benzhuo Lu
Abstract: Neural operator learning directly constructs the mapping relationship from the equation parameter space to the solution space, enabling efficient direct inference in practical applications without the need for repeated solution of partial differential equations (PDEs) -- an advantage that is difficult to achieve with traditional numerical methods. In this work, we find that explicitly decoupling linear and nonlinear effects within such operator mappings leads to improved learning efficiency. This yields a novel network structure, namely the Linear-Nonlinear Fusion Neural Operator (LNF-NO), which models operator mappings via the multiplicative fusion of a linear component and a nonlinear component, thus achieving a lightweight and interpretable representation. This linear-nonlinear decoupling enables efficient capture of complex solution features at the operator level while maintaining stability and generality. LNF-NO naturally supports multiple functional inputs and is applicable to both regular grids and irregular geometries. Across a diverse suite of PDE operator-learning benchmarks, including nonlinear Poisson-Boltzmann equations and multi-physics coupled systems, LNF-NO is typically substantially faster to train than several representative neural operator baselines, while achieving comparable or improved accuracy across most tested cases. On the tested 3D Poisson-Boltzmann case, LNF-NO achieves strong accuracy while requiring substantially less training time than the three-dimensional Fourier Neural Operator and Transolver baselines.
Authors: Debangshu Banerjee, Changming Xu, Eugene Ie, Ming Zhang, Daiyi Peng, Chu-Cheng Lin, Gagandeep Singh
Abstract: Recent advances have shown the effectiveness of self-evolving LLM agents on tasks such as program repair and scientific discovery. In this paradigm, a planner LLM synthesizes an agent program that invokes parametric models, including LLMs, which are then tuned per task to improve performance. However, existing self-evolving agent frameworks provide no formal guarantees of safety or correctness. Because such programs are often executed autonomously on unseen inputs, this lack of guarantees raises reliability and security concerns. We formulate agentic code generation as a constrained learning problem, combining hard formal specifications with soft objectives capturing task utility. We introduce Formally Guarded Generative Models (FGGM), which allow the planner LLM to specify a formal output contract for each generative model call using first-order logic. Each FGGM call wraps the underlying model in a rejection sampler with a verified fallback, ensuring every returned output satisfies the contract for any input and parameter setting. Building on FGGM, we present SEVerA (Self-Evolving Verified Agents), a three-stage framework: Search synthesizes candidate parametric programs containing FGGM calls; Verification proves correctness with respect to hard constraints for all parameter values, reducing the problem to unconstrained learning; and Learning applies scalable gradient-based optimization, including GRPO-style fine-tuning, to improve the soft objective while preserving correctness. We evaluate SEVerA on Dafny program verification, symbolic math synthesis, and policy-compliant agentic tool use ($\tau^2$-bench). Across tasks, SEVerA achieves zero constraint violations while improving performance over unconstrained and SOTA baselines, showing that formal behavioral constraints not only guarantee correctness but also steer synthesis toward higher-quality agents.
Authors: Yuqian Fu, Haohuan Huang, Kaiwen Jiang, Jiacai Liu, Zhuo Jiang, Yuanheng Zhu, Dongbin Zhao
Abstract: On-policy distillation (OPD) is increasingly used in LLM post-training because it can leverage a teacher model to provide dense supervision on student rollouts. The standard implementation, however, usually reduces distribution matching to a sampled-token log-ratio, which can make the learning signal fragile on long rollouts whose prefixes drift away from the teacher's typical support. We revisit this formulation from both theoretical and implementation perspectives. Theoretically, token-level OPD is biased relative to sequence-level reverse-KL minimization, but admits a substantially tighter worst-case variance bound; a controlled synthetic study further shows that stronger future-reward coupling increases gradient variance and destabilizes training. Empirically, we identify three failure modes of sampled-token OPD: imbalanced token-level supervision, unreliable teacher guidance on student-generated prefixes, and tokenizer or special-token mismatch. These findings motivate teacher top-K local support matching, a truncated reverse-KL objective that compares teacher and student distributions over a teacher-supported token set at each prefix, together with top-p rollout sampling and special-token masking. Across single-task reasoning and multi-task benchmarks spanning agentic and reasoning settings, this objective improves optimization stability and yields a +19.8% performance gain over standard sampled-token OPD baselines, providing a practical recipe for more stable on-policy distillation.
Authors: Chin-Chia Michael Yeh
Abstract: Matrix Profile (MP) methods are an interpretable and scalable family of distance-based methods for time-series anomaly detection, but strong benchmark performance still depends on design choices beyond a vanilla nearest-neighbor profile. This technical report documents an open-source Matrix Profile for Anomaly Detection (MMPAD) submission to TSB-AD, a benchmark that covers both univariate and multivariate time series. The submitted system combines pre-sorted multidimensional aggregation, efficient exclusion-zone-aware k-nearest-neighbor (kNN) retrieval for repeated anomalies, and moving-average post-processing. To serve as a reproducible reference for MP-based anomaly detection on TSB-AD, we detail the released implementation, the hyperparameter settings for the univariate and multivariate tracks, and the corresponding benchmark results. We further analyze how the system performs on the aggregate leaderboard and across specific dataset characteristics.The open-source implementation is available at https://github.com/mcyeh/mmpad_tsb.
Authors: Francesco Carlucci, Giovanni Pollo, Xiaying Wang, Massimo Poncino, Enrico Macii, Luca Benini, Sara Vinco, Alessio Burrello, Daniele Jahier Pagliari
Abstract: Photoplethysmography (PPG)-based blood pressure (BP) estimation is a challenging task, particularly on resource-constrained wearable devices. However, fully on-board processing is desirable to ensure user data confidentiality. Recent deep neural networks (DNNs) have achieved high BP estimation accuracy by reconstructing BP waveforms or directly regressing BP values, but their large memory, computation, and energy requirements hinder deployment on wearables. This work introduces a fully automated DNN design pipeline that combines hardware-aware neural architecture search (NAS), pruning, and mixed-precision search (MPS) to generate accurate yet compact BP prediction models optimized for ultra-low-power multicore systems-on-chip (SoCs). Starting from state-of-the-art baseline models on four public datasets, our optimized networks achieve up to 7.99% lower error with a 7.5x parameter reduction, or up to 83x fewer parameters with negligible accuracy loss. All models fit within 512 kB of memory on our target SoC (GreenWaves' GAP8), requiring less than 55 kB and achieving an average inference latency of 142 ms and energy consumption of 7.25 mJ. Patient-specific fine-tuning further improves accuracy by up to 64%, enabling fully autonomous, low-cost BP monitoring on wearables.
Authors: Taeyoung Kim
Abstract: We investigate random feature models in which neural networks sampled from a prescribed initialization ensemble are frozen and used as random features, with only the readout weights optimized. Adopting a statistical-physics viewpoint, we study the training error, test error, and generalization gap beyond the mean kernel approximation. Since the predictor is a nonlinear functional of the induced random kernel, the ensemble-averaged errors depend not only on the mean kernel but also on higher-order fluctuation statistics. Within an effective field-theoretic framework, these finite-width contributions naturally appear as loop corrections. We derive loop corrections to the training error, test error, and generalization gap, obtain their scaling laws, and support the theory with experimental verification.
Authors: Physical Intelligence, Bo Ai, Ali Amin, Raichelle Aniceto, Ashwin Balakrishna, Greg Balke, Kevin Black, George Bokinsky, Shihao Cao, Thomas Charbonnier, Vedant Choudhary, Foster Collins, Ken Conley, Grace Connors, James Darpinian, Karan Dhabalia, Maitrayee Dhaka, Jared DiCarlo, Danny Driess, Michael Equi, Adnan Esmail, Yunhao Fang, Chelsea Finn, Catherine Glossop, Thomas Godden, Ivan Goryachev, Lachlan Groom, Haroun Habeeb, Hunter Hancock, Karol Hausman, Gashon Hussein, Victor Hwang, Brian Ichter, Connor Jacobsen, Szymon Jakubczak, Rowan Jen, Tim Jones, Gregg Kammerer, Ben Katz, Liyiming Ke, Mairbek Khadikov, Chandra Kuchi, Marinda Lamb, Devin LeBlanc, Brendon LeCount, Sergey Levine, Xinyu Li, Adrian Li-Bell, Vladislav Lialin, Zhonglin Liang, Wallace Lim, Yao Lu, Enyu Luo, Vishnu Mano, Nandan Marwaha, Aikys Mongush, Liam Murphy, Suraj Nair, Tyler Patterson, Karl Pertsch, Allen Z. Ren, Gavin Schelske, Charvi Sharma, Baifeng Shi, Lucy Xiaoyang Shi, Laura Smith, Jost Tobias Springenberg, Kyle Stachowicz, Will Stoeckle, Jiaming Tang, Jimmy Tanner, Shalom Tekeste, Marcel Torne, Kyle Vedder, Quan Vuong, Anna Walling, Haohuan Wang, Jason Wang, XuDong Wang, Chris Whalen, Samuel Whitmore, Blake Williams, Charles Xu, Sukwon Yoo, Lili Yu, Wuming Zhang, Zhuoyang Zhang, Ury Zhilinsky
Abstract: We present a new robotic foundation model, called ${\pi}_{0.7}$, that can enable strong out-of-the-box performance in a wide range of scenarios. ${\pi}_{0.7}$ can follow diverse language instructions in unseen environments, including multi-stage tasks with various kitchen appliances, provide zero-shot cross-embodiment generalization, for example enabling a robot to fold laundry without seeing the task before, and perform challenging tasks such as operating an espresso machine out of the box at a level of performance that matches much more specialized RL-finetuned models. The main idea behind ${\pi}_{0.7}$ is to use diverse context conditioning during training. This conditioning information, contained in the prompt, makes it possible to steer the model precisely to perform many tasks with different strategies. It is conditioned not just on a language command that describes what it should do, but on additional multimodal information that also describes the manner or strategy in which it should do it, including metadata about task performance and subgoal images. This enables ${\pi}_{0.7}$ to use very diverse data, including demonstrations, potentially suboptimal (autonomous) data including failures, and data from non-robot sources. Our experiments evaluate ${\pi}_{0.7}$ across numerous tasks with multiple robot platforms, on tasks that require speed and dexterity, language following, and compositional task generalization.
Authors: Jie Yuan, Lei Wang, Yanhao Wang, Yimin Liu
Abstract: This paper introduces a robust discrimination method for distinguishing real ship targets from corner-reflector-array jamming with frequency-agile radar. The key idea is to exploit the multidimensional micro-motion signatures that separate rigid ships from non-rigid decoys. From Range-Velocity maps we derive two new hand-crafted descriptors-mean weighted residual (MWR) and complementary contrast factor (CCF) and fuse them with deep features learned by a lightweight CNN. An XGBoost classifier then gives the final decision. Extensive simulations show that the hybrid feature set consistently outperforms state-of-the-art alternatives, confirming the superiority of the proposed approach.
Authors: Chongsheng Zhang, Hao Wang, Zelong Yu, Esteban Garces Arias, Julian Rodemann, Zhanshuo Zhang, Qilong Li, Gaojuan Fan, Krikamol Muandet, Christian Heumann
Abstract: Imbalanced data are commonly present in real-world applications. While data synthesis can effectively mitigate data scarcity for rare classes, and LLMs have revolutionized text generation, the application of LLMs to the synthesis of relational/structured tabular data remains underexplored. Moreover, existing approaches lack an effective feedback mechanism to guide LLMs in continuously optimizing the quality of the generated data throughout the synthesis process. In this work, we propose RDDG, Relational Data generator with Dynamic Guidance, which is a unified in-context learning framework that employs progressive chain-of-thought (CoT) steps to generate tabular data for enhancing downstream imbalanced classification performance. RDDG first uses core set selection to identify representative samples from the original data, then utilizes in-context learning to discover the inherent patterns and correlations among attributes within the core set, and subsequently generates tabular data while preserving the aforementioned constraints. More importantly, it incorporates a self-reinforcing feedback mechanism that provides automatic assessments of the quality of the generated data, enabling continuous quality optimization throughout the generation process. Experimental results on multiple real and synthetic datasets demonstrate that RDDG outperforms existing approaches in both data fidelity and downstream imbalanced classification performance. We make our code available at https://github.com/cszhangLMU/RDDG.
Authors: Kadir-Kaan \"Ozer, Ren\'e Ebeling, Markus Enzweiler
Abstract: We introduce JuRe (Just Repair), a minimal denoising network for time series anomaly detection that exposes a central finding: architectural complexity is unnecessary when the training objective correctly implements the manifold-projection principle. JuRe consists of a single depthwise-separable convolutional residual block with hidden dimension 128, trained to repair corrupted time series windows and scored at inference by a fixed, parameter-free structural discrepancy function. Despite using no attention, no latent variable, and no adversarial component, JuRe ranks second on the TSB-AD multivariate benchmark (AUC-PR 0.404, 180 series, 17 datasets) and second on the UCR univariate archive by AUC-PR (0.198, 250 series), leading all neural baselines on AUC-PR and VUS-PR. Component ablation on TSB-AD identifies training-time corruption as the dominant factor ($\Delta$AUC-PR $= 0.047$ on removal), confirming that the denoising objective, not network capacity, drives detection quality. Pairwise Wilcoxon signed-rank tests establish statistical significance against 21 of 25 baselines on TSB-AD. Code is available at the URL https://github.com/iis-esslingen/JuRe.
Authors: Prashant C. Raju
Abstract: Reliable deployment of language models requires two capabilities that appear distinct but share a common geometric foundation: predicting whether a model will accept targeted behavioral control, and detecting when its internal structure degrades. We show that geometric stability, the consistency of a representation's pairwise distance structure, addresses both. Supervised Shesha variants that measure task-aligned geometric stability predict linear steerability with near-perfect accuracy ($\rho = 0.89$-$0.97$) across 35-69 embedding models and three NLP tasks, capturing unique variance beyond class separability (partial $\rho = 0.62$-$0.76$). A critical dissociation emerges: unsupervised stability fails entirely for steering on real-world tasks ($\rho \approx 0.10$), revealing that task alignment is essential for controllability prediction. However, unsupervised stability excels at drift detection, measuring nearly $2\times$ greater geometric change than CKA during post-training alignment (up to $5.23\times$ in Llama) while providing earlier warning in 73\% of models and maintaining a $6\times$ lower false alarm rate than Procrustes. Together, supervised and unsupervised stability form complementary diagnostics for the LLM deployment lifecycle: one for pre-deployment controllability assessment, the other for post-deployment monitoring.
Authors: Wei Chen, Yubing Wu, Junmei Yang, Delu Zeng, Qibin Zhao, John Paisley, Min Chen, Zhou Wang
Abstract: Preference optimization is widely used to align large language models (LLMs) with human preferences. However, many margin-based objectives suppress the chosen response along with the rejected one, a phenomenon known as likelihood displacement, and no general mechanism currently prevents this across objectives. We bridge this gap by presenting a unified \emph{incentive-score decomposition} of preference optimization, revealing that diverse objectives share identical local update directions and differ only in their scalar weighting coefficients. Building on this decomposition, by analyzing the dynamics of the chosen/rejected likelihoods, we identify the \emph{disentanglement band} (DB), a simple, testable condition that characterizes when training can avoid likelihood displacement by realizing the preferred pathway: suppressing the loser while maintaining the winner, possibly after an initial transient. Leveraging the DB, we propose a plug-and-play \emph{reward calibration} (RC) that adaptively rebalances chosen versus rejected updates to satisfy the DB and mitigate likelihood displacement, without redesigning the base objective. Empirical results show that RC steers training toward more disentangled dynamics and often improves downstream performance across a range of objectives. Our code is available at https://github.com/IceyWuu/DisentangledPreferenceOptimization.
URLs: https://github.com/IceyWuu/DisentangledPreferenceOptimization.
Authors: Fernando Reitich
Abstract: Large language models are increasingly deployed as protocols: structured multi-call procedures that spend additional computation to transform a baseline answer into a final one. These protocols are evaluated only by end-to-end accuracy, giving limited insight into when they help, when they hurt, and whether their behavior transfers under distribution shift or composition. We propose a paired-outcome measurement interface for auditing a single protocol step on exact-match tasks. For each instance, the interface records a baseline correctness bit $E_0\in\{0,1\}$ and a post-step correctness bit $E_1\in\{0,1\}$, separating correction ($E_0=0\to E_1=1$) from corruption ($E_0=1\to E_1=0$) through two rates: $c=\Pr(E_1=1\mid E_0=0)$ and $\gamma=\Pr(E_1=0\mid E_0=1)$. These rates predict accuracy changes and define a reusable empirical interface testable across seeds, mixtures, and pipelines. We identify three failure mechanisms. Under mixture shift, pooled estimates of $(c,\gamma)$ become biased when calibration and deployment mixtures differ; conditioning on a difficulty proxy restores stability without additional model calls. Under presentation contamination, selection protocols alter the interface through stable presentation artifacts when candidate content is fixed. Under state insufficiency, the correctness bit may not carry enough history for multi-step pipelines to compose predictably; a Markov factorization test identifies when composition is valid and where additional state is needed. When a protocol step passes these diagnostics, it becomes an auditable module: gated by estimated gain, conditioned on a difficulty proxy to correct mixture bias, and composed into multi-step pipelines with predictable accuracy. We demonstrate these ideas on synthetic mathematical tasks and on GSM8K, where the calibrated interface correctly predicts when protocol steps should be activated or suppressed.
Authors: Chupei Tang, Junxiao Kong, Moyu Tang, Di Wang, Jixiu Zhai, Ronghao Xie, Shangkun Sima, Tianchi Lu
Abstract: Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either interaction prediction or peptide generation, leaving candidate prioritization, residue-level interpretation, and target-conditioned expansion insufficiently integrated. Results: We present an integrated framework for early-stage peptide screening that combines a partner-aware prediction and localization model (ConGA-PepPI) with a target-conditioned generative model (TC-PepGen). ConGA-PepPI uses asymmetric encoding, bidirectional cross-attention, and progressive transfer from pair prediction to binding-site localization, while TC-PepGen preserves target information throughout autoregressive decoding via layerwise conditioning. In five-fold cross-validation, ConGA-PepPI achieved 0.839 accuracy and 0.921 AUROC, with binding-site AUPR values of 0.601 on the protein side and 0.950 on the peptide side, and remained competitive on external benchmarks. Under a controlled length-conditioned benchmark, 40.39% of TC-PepGen peptides exceeded native templates in AlphaFold 3 ipTM, and unconstrained generation retained evidence of target-conditioned signal.
Authors: Enshu Liu, Xuefei Ning, Yu Wang, Zinan Lin
Abstract: Discrete diffusion language models (dLLMs) have recently emerged as a promising alternative to traditional autoregressive approaches, offering the flexibility to generate tokens in arbitrary orders and the potential of parallel decoding. However, existing heuristic sampling strategies remain inefficient: they choose only a small part of tokens to sample at each step, leaving substantial room for improvement. In this work, we study the problem of token sampling order optimization and demonstrate its significant potential for acceleration. Specifically, we find that fully leveraging correct predictions at each step can reduce the number of sampling iterations by an order of magnitude without compromising accuracy. Based on this, we propose Neural Indicator Sampling (NI Sampling), a general sampling order optimization framework that utilize a neural indicator to decide which tokens should be sampled at each step. We further propose a novel trajectory-preserving objective to train the indicator. Experiments on LLaDA and Dream models across multiple benchmarks show that our method achieves up to 14.3$\times$ acceleration over full-step sampling with negligible performance drop, and consistently outperforms confidence threshold sampling in the accuracy-step trade-off. Code is available at https://github.com/imagination-research/NI-Sampling.
Authors: Nicholas Thumiger, Andrea Bartezzaghi, Mattia Rigotti, Cezary Skura, Thomas Frick, Elisa Serioli, Fabrizio Arbucci, A. Cristiano I. Malossi
Abstract: Computational Fluid Dynamics (CFD) is central to race-car aerodynamic development, yet its cost -- tens of thousands of core-hours per high-fidelity evaluation -- severely limits the design space exploration feasible within realistic budgets. AI-based surrogate models promise to alleviate this bottleneck, but progress has been constrained by the limited complexity of public datasets, which are dominated by smoothed passenger-car shapes that fail to exercise surrogates on the thin, complex, highly loaded components governing motorsport performance. This work presents three primary contributions. First, we introduce a high-fidelity RANS dataset built on a parametric LMP2-class CAD model and spanning six operating conditions (map points) covering straight-line and cornering regimes, generated and validated by aerodynamics experts at Dallara to preserve features relevant to industrial motorsport. Second, we present the Gauge-Invariant Spectral Transformer (GIST), a graph-based neural operator whose spectral embeddings encode mesh connectivity to enhance predictions on tightly packed, complex geometries. GIST guarantees discretization invariance and scales linearly with mesh size, achieving state-of-the-art accuracy on both public benchmarks and the proposed race-car dataset. Third, we demonstrate that GIST achieves a level of predictive accuracy suitable for early-stage aerodynamic design, providing a first validation of the concept of interactive design-space exploration -- where engineers query a surrogate in place of the CFD solver -- within industrial motorsport workflows.
Authors: Xuelin Zhang, Hong Chen, Yingjie Wang, Tieliang Gong, Bin Gu
Abstract: Semi-supervised learning with manifold regularization is a classical framework for jointly learning from both labeled and unlabeled data, where the key requirement is that the support of the unknown marginal distribution has the geometric structure of a Riemannian manifold. Typically, the Laplace-Beltrami operator-based manifold regularization can be approximated empirically by the Laplacian regularization associated with the entire training data and its corresponding graph Laplacian matrix. However, the graph Laplacian matrix depends heavily on the prespecified similarity metric and may lead to inappropriate penalties when dealing with redundant or noisy input variables. To address the above issues, this paper proposes a new Semi-Supervised Meta Additive Model (S$^2$MAM) based on a bilevel optimization scheme that automatically identifies informative variables, updates the similarity matrix, and simultaneously achieves interpretable predictions. Theoretical guarantees are provided for S$^2$MAM, including the computing convergence and the statistical generalization bound. Experimental assessments across 4 synthetic and 12 real-world datasets, with varying levels and categories of corruption, validate the robustness and interpretability of the proposed approach.
Authors: Manav Pandey
Abstract: When a language model agrees with a user's false belief, is it failing to detect the error, or noticing and agreeing anyway? We show the latter. Across twelve open-weight models from five labs, spanning small to frontier scale, the same small set of attention heads carries a "this statement is wrong" signal whether the model is evaluating a claim on its own or being pressured to agree with a user. Silencing these heads flips sycophantic behavior sharply while leaving factual accuracy intact, so the circuit controls deference rather than knowledge. Edge-level path patching confirms that the same head-to-head connections drive sycophancy, factual lying, and instructed lying. Opinion-agreement, where no factual ground truth exists, reuses these head positions but writes into an orthogonal direction, ruling out a simple "truth-direction" reading of the substrate. Alignment training leaves this circuit in place: an RLHF refresh cuts sycophantic behavior roughly tenfold while the shared heads persist or grow, a pattern that replicates on an independent model family and under targeted anti-sycophancy DPO. When these models sycophant, they register that the user is wrong and agree anyway.
Authors: Huy Hoang Le, Haoguang Wang, Christian Moya, Marcos Netto, Guang Lin
Abstract: Neural surrogates for stiff differential-algebraic equations (DAEs) face two barriers: soft-constraint methods leave algebraic residuals that stiffness amplifies into errors, and hard-constraint methods require trajectory data from stiff integrators. We introduce an extended Newton implicit layer that enforces algebraic constraints exactly and reduces fast dynamics to their quasi-steady-state values in a single differentiable solve. Embedded in a physics-informed DeepONet, the layer recovers all fast and algebraic states exactly from slow-state predictions, removes the per-window stiffness-amplification pathway, and yields a stiffness-scaled Implicit Function Theorem gradient absent from penalty methods. Cascaded implicit layers extend this to multi-component systems with provable convergence. On a grid-forming inverter (stiffness ratio of about 4712), extended Newton attains 1.42% error versus 39.3% (penalty) and 57.0% (standard Newton); augmented Lagrangian and feedback linearization diverged. Two independently trained models compose without retraining (0.72% to 1.16% error, exact constraint satisfaction). Cross-domain validation on the Robertson stiff DAE (stiffness ratio up to $10^5$) confirms generalization. Conformal prediction provides 90% coverage with automatic out-of-distribution detection.
Authors: Kristian Schwethelm, Daniel Rueckert, Georgios Kaissis
Abstract: We measure how much one extra recurrence is worth to a looped (depth-recurrent) language model, in equivalent unique parameters. From an iso-depth sweep of 116 pretraining runs across recurrence counts $r \in \{1, 2, 4, 8\}$ spanning ${\sim}50\times$ in training compute, we fit a joint scaling law $L = E + A\,(N_\text{once} + r^{\varphi} N_\text{rec})^{-\alpha} + B\,D^{-\beta}$ and recover a new recurrence-equivalence exponent $\varphi = 0.46$. Intuitively, $\varphi$ tells us whether looping a block $r$ times is equivalent in validation loss to $r$ unique blocks of a non-looped model (full equivalence, $\varphi{=}1$) or to a single block run repeatedly with no capacity gain ($\varphi{=}0$). Our $\varphi = 0.46$ sits in between, so each additional recurrence predictably increases validation loss at matched training compute. For example, at $r{=}4$ a 410M looped model performs on par with a 580M non-looped model, but incurs the training cost of a 1B non-looped one. We demonstrate the utility of $\varphi$ as a measurement tool on two probes. Truncated backpropagation lowers $\varphi$ to $0.38$, indicating that the loop mechanism is poorly trained under truncation, even though validation loss decreases. Conversely, hyperconnections raise $\varphi$ to $0.65$, a genuine capacity gain. Our method applies to any looped LM and separates true loop improvements from token-budget gains.
Authors: Abbas Zeitoun, Lucas Torroba-Hennigen, Yoon Kim
Abstract: LLM architecture research generally aims to maximize model quality subject to fixed compute/latency budgets. However, many applications of interest such as edge and on-device deployment are further constrained by the model's memory footprint, thus motivating parameter-efficient architectures for language modeling. This paper describes a simple architecture that improves the parameter-efficiency of LLMs. Our architecture makes use of looped Transformers as a core primitive, which reuse Transformer layers across depth and are thus more parameter-efficient than ordinary (depth-matched) Transformers. We organize the looped Transformer into three blocks--begin, middle, and end blocks--where each block itself consists of multiple Transformer layers, and only the middle block is applied recurrently across depth. We augment the looped middle block with hyper-connections (Xie et al., 2026), which expand the residual stream into matrix-valued residual streams. Hyper-connections are applied only after each loop, and therefore add minimal new parameters and compute cost. Across various model scales, we find that our Hyper-Connected Looped Transformer (Hyperloop Transformer) is able to outperform depth-matched Transformer and mHC Transformer baselines despite using approximately 50% fewer parameters. The outperformance persists through post-training weight quantization, thus positioning Hyperloop Transformers as an attractive architecture for memory-efficient language modeling.
Authors: Vishal Rajput
Abstract: PGD adversarial training, the standard robustness method, can reduce Jacobian Frobenius norm yet worsen clean-input geometry (e.g., TDI 1.336 vs. ERM 1.093). We show this is not an implementation artifact but a theorem-level consequence of supervised learning. We prove that any encoder minimizing supervised loss must retain non-zero sensitivity along directions correlated with training labels, including directions that are nuisance at test time. This holds across proper scoring rules, architectures, and dataset sizes. We call this the geometric blind spot of supervised learning. This theorem unifies four empirical phenomena often treated separately: non-robust features, texture bias, corruption fragility, and the robustness-accuracy tradeoff. It also explains why suppressing sensitivity in one adversarial direction can redistribute sensitivity elsewhere. We introduce Trajectory Deviation Index (TDI), a diagnostic of geometric isotropy. Unlike CKA, intrinsic dimension, or Jacobian Frobenius norm alone, TDI captures the failure mode above. In our experiments, PGD attains low Frobenius norm but high TDI, while PMH attains the lowest TDI with one additional training term and no architectural changes. Across seven tasks, BERT/SST-2, and ImageNet ViT-B/16 (backbone family underlying CLIP/DINO/SAM), the blind spot is measurable and repairable. It appears at foundation-model scale, worsens with model scale and task-specific fine-tuning, and is substantially reduced by PMH. PMH also leads on non-Gaussian corruption types (blur/brightness/contrast) without corruption-specific training.
Authors: Paul-Tiberiu Iordache, Elena Burceanu
Abstract: Continual learning (CL) studies how models acquire tasks sequentially while retaining previously learned knowledge. Despite substantial progress in benchmarking CL methods, comparative evaluations typically keep the fine-tuning regime fixed. In this paper, we argue that the fine-tuning regime, defined by the trainable parameter subspace, is itself a key evaluation variable. We formalize adaptation regimes as projected optimization over fixed trainable subspaces, showing that changing the trainable depth alters the effective update signal through which both current task fitting and knowledge preservation operate. This analysis motivates the hypothesis that method comparisons need not be invariant across regimes. We test this hypothesis in task incremental CL, five trainable depth regimes, and four standard methods: online EWC, LwF, SI, and GEM. Across five benchmark datasets, namely MNIST, Fashion MNIST, KMNIST, QMNIST, and CIFAR-100, and across 11 task orders per dataset, we find that the relative ranking of methods is not consistently preserved across regimes. We further show that deeper adaptation regimes are associated with larger update magnitudes, higher forgetting, and a stronger relationship between the two. These results show that comparative conclusions in CL can depend strongly on the chosen fine-tuning regime, motivating regime-aware evaluation protocols that treat trainable depth as an explicit experimental factor.
Authors: Grigory Sapunov
Abstract: We study learned memory tokens as computational scratchpad for a single-block Universal Transformer (UT) with Adaptive Computation Time (ACT) on Sudoku-Extreme, a combinatorial reasoning benchmark. We find that memory tokens are empirically necessary: across all configurations tested -- 3 seeds, multiple token counts, two initialization schemes, ACT and fixed-depth processing -- no configuration without memory tokens achieves non-trivial performance. The optimal count exhibits a sharp lower threshold (T=0 always fails, T=4 is borderline, T=8 reliably succeeds for 81-cell puzzles) followed by a stable plateau (T=8-32, 57.4% +/- 0.7% exact-match) and collapse from attention dilution at T=64. During experimentation, we identify a router initialization trap that causes >70% of training runs to fail: both default zero-bias initialization (p ~ 0.5) and Graves' recommended positive bias (p ~ 0.73) cause tokens to halt after ~2 steps at initialization, settling into a shallow equilibrium (halt ~ 5-7) that the model cannot escape. Inverting the bias to -3 ("deep start," p ~ 0.05) eliminates this failure mode. We confirm through ablation that the trap is inherent to ACT initialization, not an artifact of our architecture choices. With reliable training established, we show that (1) ACT provides more consistent results than fixed-depth processing (56.9% +/- 0.7% vs 53.4% +/- 9.3% across 3 seeds); (2) ACT with lambda warmup achieves matching accuracy (57.0% +/- 1.1%) using 34% fewer ponder steps; and (3) attention heads specialize into memory readers, constraint propagators, and integrators across recursive depth. Code is available at https://github.com/che-shr-cat/utm-jax.
Authors: Teruyuki Katsuoka, Tomohiro Shiraishi, Daiki Miwa, Vo Nguyen Le Duy, Ichiro Takeuchi
Abstract: Anomaly localization in images -- identifying regions that deviate from normal patterns -- is vital in applications such as medical diagnosis and industrial inspection. A recent trend is the use of image generation models in anomaly localization, where these models generate normal-looking counterparts of anomalous images, thereby allowing flexible and adaptive anomaly localization. However, these methods inherit the uncertainty and bias implicitly embedded in the employed generative model, raising concerns about the reliability. To address this, we propose a statistical framework based on selective inference to quantify the significance of detected anomalous regions. Our method provides $p$-values to assess the false positive detection rates, providing a principled measure of reliability. As a proof of concept, we consider anomaly localization using a diffusion model and its applications to medical diagnoses and industrial inspections. The results indicate that the proposed method effectively controls the risk of false positive detection, supporting its use in high-stakes decision-making tasks.
Authors: Stefan Tiegel
Abstract: We show strong (and surprisingly simple) lower bounds for weakly learning intersections of halfspaces in the improper setting. Strikingly little is known about this problem. For instance, it is not even known if there is a polynomial-time algorithm for learning the intersection of only two halfspaces. On the other hand, lower bounds based on well-established assumptions (such as approximating worst-case lattice problems or variants of Feige's 3SAT hypothesis) are only known (or are implied by existing results) for the intersection of super-logarithmically many halfspaces [KS09,KS06,DSS16]. With intersections of fewer halfspaces being only ruled out under less standard assumptions [DV21] (such as the existence of local pseudo-random generators with large stretch). We significantly narrow this gap by showing that even learning $\omega(\log \log N)$ halfspaces in dimension $N$ takes super-polynomial time under standard assumptions on worst-case lattice problems (namely that SVP and SIVP are hard to approximate within polynomial factors). Further, we give unconditional hardness results in the statistical query framework. Specifically, we show that for any $k$ (even constant), learning $k$ halfspaces in dimension $N$ requires accuracy $N^{-\Omega(k)}$, or exponentially many queries -- in particular ruling out SQ algorithms with polynomial accuracy for $\omega(1)$ halfspaces. To the best of our knowledge this is the first unconditional hardness result for learning a super-constant number of halfspaces. Our lower bounds are obtained in a unified way via a novel connection we make between intersections of halfspaces and the so-called parallel pancakes distribution [DKS17,BLPR19,BRST21] that has been at the heart of many lower bound constructions in (robust) high-dimensional statistics in the past few years.
Authors: Shiping Yang, Jie Wu, Wenbiao Ding, Ning Wu, Shining Liang, Ming Gong, Hongzhi Li, Hengyuan Zhang, Angel X. Chang, Dongmei Zhang
Abstract: Robustness has become a critical attribute for the deployment of RAG systems in real-world applications. Existing research focuses on robustness to explicit noise (e.g., document semantics) but overlooks implicit noise (spurious features). Moreover, previous studies on spurious features in LLMs are limited to specific types (e.g., formats) and narrow scenarios (e.g., ICL). In this work, we identify and study spurious features in the RAG paradigm, a robustness issue caused by the sensitivity of LLMs to semantic-agnostic features. We then propose a novel framework, SURE, to empirically quantify the robustness of RALMs against spurious features. Beyond providing a comprehensive taxonomy and metrics for evaluation, the framework's data synthesis pipeline facilitates training-based strategies to improve robustness. Further analysis suggests that spurious features are a widespread and challenging problem in the field of RAG. Our code is available at https://github.com/maybenotime/RAG-SpuriousFeatures .
Authors: Marta Adamska, Daria Smirnova, Hamid Nasiri, Zhengxin Yu, Peter Garraghan
Abstract: Large Language Models (LLMs) have become widely used across various domains spanning search engines, code generation, and text creation. However, a major concern associated with their adoption is the high cost of inference, impacting both their sustainability and financial feasibility. In this study, we empirically study how different prompt and response characteristics directly impact LLM inference energy cost. We conduct experiments leveraging three open-source transformer-based LLMs across three task types$-$question answering, sentiment analysis, and text generation. For each inference, we analyzed prompt and response characteristics (length, semantic meaning, time taken, energy consumption). Our results demonstrate that even when presented with identical tasks, models generate responses with varying characteristics and subsequently exhibit distinct energy consumption patterns. We found that prompt length is less significant than the semantic meaning of the task itself. In addition, we identified specific keywords associated with higher or lower energy usage that vary between associated tasks. These findings highlight the importance of prompt design in optimizing inference efficiency. We conclude that the semantic meaning of prompts and certain task-related keywords significantly impact inference costs, leading the way for deeper exploration towards creating energy-adaptive LLMs.
Authors: Jia-Qi Yang, Lei Shi
Abstract: We consider a class of statistical inverse problems involving the estimation of a regression operator from a Polish space to a separable Hilbert space, where the target lies in a vector-valued reproducing kernel Hilbert space induced by an operator-valued kernel. To address the associated ill-posedness, we analyze regularized stochastic gradient descent (SGD) algorithms in both online and finite-horizon settings. The former uses polynomially decaying step sizes and regularization parameters, while the latter adopts fixed values. Under suitable structural and distributional assumptions, we establish dimension-independent bounds for prediction and estimation errors. The resulting convergence rates are near-optimal in expectation, and we also derive high-probability estimates that imply almost sure convergence. Our analysis introduces a general technique for obtaining high-probability guarantees in infinite-dimensional settings. We illustrate the practical scope of our framework with applications to structured prediction and parametric PDEs, providing examples that reflect how the approach can be applied in practice.
Authors: Liaoyaqi Wang, Zhengping Jiang, Anqi Liu, Benjamin Van Durme
Abstract: We present a state-of-the-art model for fine-grained probability estimation of propositions conditioned on context. Recent advances in large language models (LLMs) have significantly enhanced their reasoning capabilities, particularly on well-defined tasks with complete information. However, LLMs continue to struggle with making accurate and well-calibrated probabilistic predictions under uncertainty or partial information. While incorporating uncertainty into model predictions often boosts performance, obtaining reliable estimates of that uncertainty remains understudied. In particular, LLM probability estimates tend to be coarse and biased towards more frequent numbers. Through a combination of human and synthetic data creation and assessment, scaling to larger models, and better supervision, we propose a set of strong and precise probability estimation models. We conduct systematic evaluations across tasks that rely on conditional probability estimation and show that our approach consistently outperforms existing fine-tuned and prompting-based methods by a large margin.
Authors: Zihan Shao, Konstantin Pieper, Xiaochuan Tian
Abstract: We propose a novel framework for solving nonlinear PDEs using sparse radial basis function (RBF) networks. Sparsity-promoting regularization is employed to prevent over-parameterization and reduce redundant features. This work is motivated by longstanding challenges in traditional RBF collocation methods, along with the limitations of physics-informed neural networks (PINNs) and Gaussian process (GP) approaches, aiming to blend their respective strengths in a unified framework. The theoretical foundation of our approach lies in the function space of Reproducing Kernel Banach Spaces (RKBS) induced by one-hidden-layer neural networks of possibly infinite width. We prove a representer theorem showing that the sparse optimization problem in the RKBS admits a finite solution and establishes error bounds that offer a foundation for generalizing classical numerical analysis. The algorithmic framework is based on a three-phase algorithm to maintain computational efficiency through adaptive feature selection, second-order optimization, and pruning of inactive neurons. Numerical experiments demonstrate the effectiveness of our method and highlight cases where it offers notable advantages over GP approaches. This work opens new directions for adaptive PDE solvers grounded in rigorous analysis with efficient, learning-inspired implementation.
Authors: Simone Bombari, Jialei Luo, Inbar Seroussi, Marco Mondelli
Abstract: Differentially private (DP) linear regression has received significant attention in the recent theoretical literature, with several approaches proposed to improve error rates. Our work considers the popular high-dimensional regime with random data, where the number of training samples $n$ and the input dimension $d$ grow at a proportional rate $d / n \to \gamma$, and it studies a family of one-pass DP gradient descent (DP-GD) algorithms satisfying $\rho^2 / 2$ zero concentrated DP. In this setting, we establish a deterministic equivalent for the DP-GD trajectory in terms of a system of ordinary differential equations. This allows to analyze the effect of gradient clipping constants that are smaller than the typical norm of the per-sample gradients - a setup shown to improve performance in practice. For well-conditioned data, we show that DP-GD, upon properly choosing clipping constant and learning rate, achieves the non-asymptotic risk of $O(\gamma + \gamma^2 / \rho^2)$, and we establish that this rate is minimax optimal. Then, we consider the ill-conditioned case where the data covariance spectrum follows a power-law distribution, and we show that the risk displays a power-like scaling law in $\gamma$, highlighting the change in the exponent as a function of the privacy parameter $\rho$. Overall, our analysis demonstrates the benefits of practical algorithmic design choices, including aggressive gradient clipping and decaying learning rate schedules.
Authors: Wenjie Yang, Mao Zheng, Mingyang Song, Zheng Li, Sitong Wang
Abstract: Large language models (LLMs) have recently demonstrated remarkable capabilities in machine translation (MT). However, most advanced MT-specific LLMs heavily rely on external supervision signals during training, such as human-annotated reference data or trained reward models (RMs), which are often expensive to obtain and challenging to scale. To overcome this limitation, we propose a Simple Self-Rewarding (SSR) Reinforcement Learning (RL) framework for MT that is reference-free, fully online, and relies solely on self-judging rewards. Training with SSR using 13K monolingual examples and Qwen-2.5-7B as the backbone, our model SSR-Zero-7B outperforms existing MT-specific LLMs, e.g., TowerInstruct-13B and GemmaX-28-9B, as well as larger general LLMs like Qwen2.5-32B-Instruct in English $\leftrightarrow$ Chinese translation tasks from WMT23, WMT24, and Flores200 benchmarks. Furthermore, by augmenting SSR with external supervision from COMET, our strongest model, SSR-X-Zero-7B, achieves state-of-the-art performance in English $\leftrightarrow$ Chinese translation, surpassing all existing open-source models under 72B parameters and even outperforming closed-source models. Our analysis highlights the effectiveness of the self-rewarding mechanism compared to the external LLM-as-a-judge approach in MT and demonstrates its complementary benefits when combined with trained RMs. Our findings provide valuable insight into the potential of self-improving RL methods. We have publicly released our code, data and models.
Authors: Daniel Wang, Patrick Rim, Tian Tian, Dong Lao, Alex Wong, Ganesh Sundaramoorthi
Abstract: We introduce ODE-GS, a novel approach that integrates 3D Gaussian Splatting with latent neural ordinary differential equations (ODEs) to enable future extrapolation of dynamic 3D scenes. Unlike existing dynamic scene reconstruction methods, which rely on time-conditioned deformation networks and are limited to interpolation within a fixed time window, ODE-GS eliminates timestamp dependency by modeling Gaussian parameter trajectories as continuous-time latent dynamics. Our approach first learns an interpolation model to generate accurate Gaussian trajectories within the observed window, then trains a Transformer encoder to aggregate past trajectories into a latent state evolved via a neural ODE. Finally, numerical integration produces smooth, physically plausible future Gaussian trajectories, enabling rendering at arbitrary future timestamps. On the D-NeRF, NVFi, and HyperNeRF benchmarks, ODE-GS achieves state-of-the-art extrapolation performance, improving metrics by 19.8% compared to leading baselines, demonstrating its ability to accurately represent and predict 3D scene dynamics.
Authors: David Holzm\"uller, Max Sch\"olpple
Abstract: In recent years, the neural tangent kernel (NTK) and neural network Gaussian process kernel (NNGP) have given theoreticians tractable limiting cases of fully connected neural networks. However, the property of these kernels are poorly understood for activation functions other than powers of the ReLU. Our main contribution is a characterization of the RKHS of these kernels for activation functions whose only non-smoothness is at zero. This extends existing theory to numerous commonly used activation functions such as SELU, ELU, or LeakyReLU. Additionally, we analyze a broad set of special cases such as missing biases, two-layer networks, or polynomial activations. Our results show that a broad class of not infinitely smooth activations generate equivalent RKHSs at different network depths, depending only on the degree of the non-smoothness up to equivalence. On the other hand, the RKHS generated by polynomial activations depends on the network depth. Finally, we derive results for the smoothness of NNGP sample paths, characterizing the smoothness of infinitely wide neural networks at initialization.
Authors: Ran Tong, Lanruo Wang, Tong Wang, Wei Yan
Abstract: Longitudinal voice biomarkers provide a non-invasive source of information for monitoring Parkinson's disease progression, but their statistical analysis is difficult because repeated measurements from the same subject are correlated, clinical cohorts are often small, and disease trajectories can vary substantially across individuals. This study evaluates statistical and neural mixed-effects approaches for modeling Parkinson's disease progression from telemonitoring voice data. Using the Oxford Parkinson's telemonitoring dataset (N=42), we compare Neural Mixed Effects (NME) models, Generalized Neural Network Mixed Models (GNMMs), and semi-parametric Generalized Additive Mixed Models (GAMMs) under the same longitudinal prediction setting. The results show that neural mixed-effects models provide flexible nonlinear representations but can overfit severely in this small-sample setting, whereas GAMMs achieve stronger predictive performance and retain interpretable smooth effects and subject-level structure. In particular, the GAMM-based approach attains the lowest prediction error (MSE 6.56), while the neural baselines have substantially larger errors (MSE > 90). These findings support the use of interpretable statistical mixed-effects models for small longitudinal telemonitoring studies and suggest that larger and more diverse cohorts are needed before highly flexible neural mixed-effects models can be reliably assessed in this application.
Authors: Chengshuai Zhao, Zhen Tan, Pingchuan Ma, Dawei Li, Bohan Jiang, Yancheng Wang, Yingzhen Yang, Huan Liu
Abstract: Chain-of-Thought (CoT) prompting has been shown to be effective in eliciting structured reasoning (i.e., CoT reasoning) from large language models (LLMs). Regardless of its popularity, recent studies expose its failures in some reasoning tasks, raising fundamental questions about the nature of CoT reasoning. In this work, we propose a data distribution lens to understand when and why CoT reasoning succeeds or fails. We hypothesize that CoT reasoning reflects a structured inductive bias learned from in-distribution data, enabling models to conditionally generate reasoning trajectories that approximate those observed during training. As such, the effectiveness of CoT reasoning is fundamentally governed by the nature and degree of distribution discrepancy between training data and test queries. Guided by this lens, we dissect CoT reasoning via three dimensions: task, length, and format. To test the hypothesis, we introduce DataAlchemy, an abstract and fully controllable environment that trains LLMs from scratch and systematically probes them under various distribution conditions. Through rigorous controlled experiments, we reveal that CoT reasoning is a brittle mirage when it is pushed beyond training distributions, emphasizing the ongoing challenge of achieving genuine and generalizable reasoning.
Authors: Rishi Raj Sahoo, Surbhi Saswati Mohanty, Subhankar Mishra
Abstract: Potholes on the roads are a serious hazard and maintenance burden. This poses a significant threat to road safety and vehicle longevity, especially on the diverse and under-maintained roads of India. In this paper, we present a complete end-to-end system called iWatchRoad for automated pothole detection, Global Positioning System (GPS) tagging, and real time mapping using OpenStreetMap (OSM). We curated a large, self-annotated dataset of over 7,000 frames captured across various road types, lighting conditions, and weather scenarios unique to Indian environments, leveraging dashcam footage. This dataset is used to fine-tune, Ultralytics You Only Look Once (YOLO) model to perform real time pothole detection, while a custom Optical Character Recognition (OCR) module was employed to extract timestamps directly from video frames. The timestamps are synchronized with GPS logs to geotag each detected potholes accurately. The processed data includes the potholes' details and frames as metadata is stored in a database and visualized via a user friendly web interface using OSM. iWatchRoad not only improves detection accuracy under challenging conditions but also provides government compatible outputs for road assessment and maintenance planning through the metadata visible on the website. Our solution is cost effective, hardware efficient, and scalable, offering a practical tool for urban and rural road management in developing regions, making the system automated. iWatchRoad is available at https://smlab.niser.ac.in/project/iwatchroad
Authors: Serban Cristian Tudosie, Alexander Denker, Zeljko Kereta, Simon Arridge
Abstract: Single-Pixel Imaging (SPI) enables the reconstruction of objects using a single detector through sequential illuminations with structured light patterns. The choice of illumination patterns is critical, particularly in highly undersampled regimes, where it directly determines reconstruction quality and acquisition speed. Instead of relying on handcrafted or fixed patterns, we propose to learn task-specific patterns directly from data. Practical SPI hardware only supports binary patterns, making binary pattern design a necessary consideration. We propose a bilevel optimisation method for learning task-specific binary illumination patterns optimised for applications such as single-pixel fluorescence microscopy. We address the non-differentiable nature of binary optimisation using the Straight-Through Estimator. In addition, we incorporate learned variational regularisation, improving reconstruction quality and robustness. We demonstrate our method on the CytoImageNet microscopy dataset. We show that our learned patterns achieve superior reconstruction performance compared to baseline methods and end-to-end deep learning, particularly in highly undersampled regimes and in scarce-data settings.
Authors: Francesco Caravelli, Gianluca Milano, Adam Z. Stieg, Carlo Ricciardi, Simon Anthony Brown, Zdenka Kuncic
Abstract: Learning with physical systems is an emerging paradigm that seeks to harness the intrinsic nonlinear dynamics of physical substrates for learning. The impetus for a paradigm shift in how hardware is used for computational intelligence stems largely from the unsustainability of artificial neural network software implemented on conventional transistor-based hardware. This Perspective highlights one promising approach using physical networks comprised of resistive memory nanoscale components with dynamically reconfigurable, self-organising electrical circuitry. Experimental advances have revealed the non-trivial interactions within these Self-Organising Memristive Networks (SOMNs), offering insights into their collective nonlinear and adaptive dynamics, and how these properties can be harnessed for learning using different hardware implementations. Theoretical approaches, including mean-field theory, graph theory, and concepts from disordered systems, reveal deeper insights into the dynamics of SOMNs, especially during transitions between different conductance states where criticality and other dynamical phase transitions emerge in both experiments and models. Furthermore, parallels between adaptive dynamics in SOMNs and plasticity in biological neuronal networks suggest the potential for realising energy-efficient, brain-like continual learning. SOMNs thus offer a promising route toward embedded edge intelligence, unlocking real-time decision-making for autonomous systems, dynamic sensing, and personalised healthcare, by embedding continuous learning in resource-constrained environments. The overarching aim of this Perspective is to show how the convergence of nanotechnology, statistical physics, complex systems, and self-organising principles offers a unique opportunity to advance a new generation of physical intelligence technologies.
Authors: Gang Cheng, Haibo Jin, Wenbin Zhang, Haohan Wang, Jun Zhuang
Abstract: Large Language Models (LLMs) are increasingly deployed in finance, where unsafe behavior can lead to serious regulatory risks. However, most red-teaming research focuses on overtly harmful content and overlooks attacks that appear legitimate on the surface yet induce regulatory-violating responses. We address this gap by introducing a controllable black-box multi-turn risk-concealed red-teaming framework (CoRT) that progressively conceals surface-level risk while exploiting regulatory-violating behaviors. CoRT contains two key components: (i) a Risk Concealment Attacker (RCA) that generates multi-turn prompts via iterative refinement, and (ii) a Risk Concealment Controller (RCC) that predicts a turn-level Risk Concealment Score (RCS) to steer RCA's follow-up style. We also built a domain-specific benchmark, FinRisk-Bench, with 522 instructions spanning six financial risk categories. Experiments on nine widely used LLMs show that CoRT (RCA) achieves 93.19% average attack success rate (ASR), and CoRT (RCA+RCC) further improves the average ASR to 95.00%. Our code and FinRisk-Bench are available at https://github.com/gcheng128/CoRT.
Authors: Adhiraj Banerjee, Vipul Arora
Abstract: Text-guided sound separation enables flexible audio editing, assistive listening, and open-domain source extraction, but systems such as AudioSep remain too expensive for low-latency edge or codec-mediated deployment. Existing neural audio codec separators are efficient, yet largely restricted to fixed stems or closed taxonomies. We introduce CodecSep, a prompt-driven universal sound separation framework that extracts sources directly in neural audio codec latent space. CodecSep combines a frozen DAC backbone with a lightweight FiLM-conditioned Transformer masker driven by CLAP text embeddings, enabling open-vocabulary separation while preserving codec-native efficiency. Across dnr-v2 and five open-domain benchmarks, CodecSep consistently improves over AudioSep in SI-SDR, remains competitive in ViSQOL, and achieves clear gains in human MOS-LQS. Controlled analyses show that fine-grained prompts outperform coarse labels, and that explicit latent masking is substantially more effective than decoder-style latent generation in codec space. Qualitative diagnostics show that neural audio codec latents retain source-dependent structure, which CodecSep exploits mainly through channel-wise source-conditioned modulation. CodecSep also provides a practical code-stream deployment path. When audio is transmitted as neural audio codec codes, CodecSep maps codes to embeddings, separates directly in codec space, and outputs waveforms or re-quantized codes, avoiding the decode-separate-re-encode loop. In this regime, CodecSep requires only 1.35 GMACs end-to-end: about 54 times less compute than AudioSep in the same pipeline and 25 times lower separator-only compute, with much lower latency and memory. More broadly, CodecSep offers a blueprint for codec-native downstream audio processing.
Authors: Juyeon Yoon, Somin Kim, Robert Feldt, Shin Yoo
Abstract: Software increasingly relies on the emergent capabilities of Large Language Models (LLMs), from natural language understanding to program analysis and generation. Yet testing them on specific tasks remains difficult and costly: many prompts lack ground truths, forcing reliance on human judgments, while existing test adequacy measures typically rely on output uncertainty and thus are only available after full inference. A key challenge is to assess how useful a test input is in a way that reflects the demands of the task, ideally before even generating any output. We introduce Clotho, a task-specific, pre-generation test adequacy measure that estimates input difficulty directly from LLM hidden states. Given a large pool of unlabelled inputs for a specific task, Clotho uses a Gaussian Mixture Model (GMM) to adaptively sample the most informative cases for human labelling. Based on this reference set the GMM can then rank unseen inputs by their likelihood of failure. In our empirical evaluation across eight benchmark tasks and three open-weight LLMs, Clotho can predict failures with a ROC-AUC of 0.716, after labelling reference sets that are on average only 5.4% of inputs. It does so without generating any outputs, thereby significantly reducing LLM execution costs compared to output-based uncertainty or confidence measures. Comparison of Clotho and these post-generation adequacy measures shows that the two approaches complement each other. Crucially, we show that adequacy scores learnt from open-weight LLMs transfer effectively to proprietary models, extending the applicability of the approach. When prioritising test inputs for proprietary models, Clotho increases the average number of failing inputs from 18.7 to 42.5 out of 100, compared to random prioritisation.
Authors: Lawrence Phillips, Marc Boubnovski Martell, Aditya Misra, Josefa Lia Stoisser, Cesar A. Prada-Medina, Rory Donovan-Maiye, Kaspar M\"artens
Abstract: Predicting cellular responses to genetic perturbations represents a fundamental challenge in systems biology, critical for advancing therapeutic discovery and virtual cell modeling. While large language models (LLMs) show promise for biological reasoning, their application to perturbation prediction remains underexplored due to challenges in adapting them to structured experimental data. We present SynthPert, a novel method that enhances LLM performance through supervised fine-tuning on synthetic reasoning traces generated by frontier models. Using the PerturbQA benchmark, we demonstrate that our approach not only achieves state-of-the-art performance but surpasses the capabilities of the frontier model that generated the training data. Our results reveal three key insights: (1) Synthetic reasoning traces effectively distill biological knowledge even when partially inaccurate, (2) This approach enables cross-cell-type generalization with 87% accuracy on unseen RPE1 cells, and (3) Performance gains persist despite using only 2% of quality-filtered training data. This work shows the effectiveness of synthetic reasoning distillation for enhancing domain-specific reasoning in LLMs.
Authors: Karim Farid, Rajat Sahay, Yumna Ali Alnaggar, Simon Schrodi, Volker Fischer, Cordelia Schmid, Thomas Brox
Abstract: Compositional generalization, the ability to generate novel combinations of known concepts, is a key ingredient for visual generative models. Yet, not all mechanisms that enable or inhibit it are fully understood. In this work, we conduct a systematic study of how various design choices influence compositional generalization in image and video generation in a positive or negative way. Through controlled experiments, we identify two key factors: (i) whether the training objective operates on a discrete or continuous distribution, and (ii) to what extent conditioning provides information about the constituent concepts during training. Building on these insights, we show that relaxing the MaskGIT discrete loss with an auxiliary continuous JEPA-based objective can improve compositional performance in discrete models like MaskGIT.
Authors: Soroosh Tayebi Arasteh, Mina Shaigan, Christiane Kuhl, Jakob Nikolas Kather, Sven Nebelung, Daniel Truhn
Abstract: Self-supervised learning (SSL) has improved visual representation learning, but its value in chest radiography remains uncertain. DINOv3 extends earlier SSL models through Gram-anchored self-distillation and explicit high-resolution adaptation. Whether these changes improve transfer learning for chest radiograph classification has not been established. We benchmarked DINOv3 against DINOv2 and supervised ImageNet initialization across seven chest radiograph datasets comprising 816,183 radiographs from pediatric and adult cohorts. ViT-B/16 and ConvNeXt-B were evaluated under full fine-tuning at 224 and 512 pixels, with targeted 1024 experiments on three cohorts. Additional analyses examined parameter-efficient adaptation, synthetic label corruption, external validation, frozen 7B features, and computational efficiency. The primary outcome was mean AUROC across labels. In adult cohorts, DINOv3 did not consistently outperform DINOv2 at 224 x 224 pixels, but became the strongest initialization at 512 x 512, especially with ConvNeXt-B. Gains were greatest for small focal and boundary-dependent abnormalities, whereas large-structure findings changed little. The pediatric cohort showed no significant benefit from DINOv3, higher resolution, or backbone choice. Scaling to 1024 x 1024 rarely improved performance and markedly increased computational cost. ConvNeXt-B remained superior to ViT-B/16 under both full and parameter-efficient adaptation. External validation preserved the 512 x 512 DINOv3 advantage, whereas synthetic label corruption showed that this benefit should not be interpreted simply as superior noise robustness. For adult chest radiograph classification, DINOv3 provides its most reliable benefit at 512 x 512 pixels, particularly with ConvNeXt-B. Fully adapted mid-sized models at 512 x 512 pixels provided the best performance-cost trade-off in our benchmark.
Authors: Alan Chen
Abstract: We derive a general system of ODEs and associated explicit solutions in a special case for geodesics between full rank matrices in the deep linear network geometry. In the process, we find horizontal straight lines in the invariant balanced manifold that remain geodesics under Riemannian submersion.
Authors: Artem Chernobrovkin, Marco S\"alzer, Fran\c{c}ois Schwarzentruber, Nicolas Troquard
Abstract: We introduce a logical language for reasoning about quantized aggregate-combine graph neural networks with global readout (ACR-GNNs). We provide a logical characterization and use it to prove that verification tasks for quantized GNNs with readout are (co)NEXPTIME-complete. This result implies that the verification of quantized GNNs is computationally intractable, prompting substantial research efforts toward ensuring the safety of GNN-based systems. We also experimentally demonstrate that quantized ACR-GNN models are lightweight while maintaining good accuracy and generalization capabilities with respect to non-quantized models.
Authors: Nupur Kumari, Sheng-Yu Wang, Nanxuan Zhao, Yotam Nitzan, Yuheng Li, Krishna Kumar Singh, Richard Zhang, Eli Shechtman, Jun-Yan Zhu, Xun Huang
Abstract: Recent image editing models have achieved impressive results while following natural language editing instructions, but they rely on supervised fine-tuning with large datasets of input-target pairs. This is a critical bottleneck, as such naturally occurring pairs are hard to curate at scale. Current workarounds use synthetic training pairs that leverage the zero-shot capabilities of existing models. However, this can propagate and magnify the artifacts of the pretrained model into the final trained model. In this work, we present a new training paradigm that eliminates the need for paired data entirely. Our approach directly optimizes a few-step diffusion model by unrolling it during training and leveraging feedback from vision-language models (VLMs). For each input and editing instruction, the VLM evaluates if an edit follows the instruction and preserves unchanged content, providing direct gradients for end-to-end optimization. To ensure visual fidelity, we incorporate distribution matching loss (DMD), which constrains generated images to remain within the image manifold learned by pretrained models. We evaluate our method on standard benchmarks and include an extensive ablation study. Without any paired data, our method performs on par with various image editing diffusion models trained on extensive supervised paired data, under the few-step setting. Given the same VLM as the reward model, we also outperform RL-based techniques like Flow-GRPO.
Authors: Mohammad Javad Ahmadi, Iman Gandomi, Parisa Abdi, Seyed-Farzad Mohammadi, Amirhossein Taslimi, Mehdi Khodaparast, Hassan Hashemi, Mahdi Tavakoli, Hamid D. Taghirad
Abstract: The development of computer-assisted surgery systems relies on large-scale, annotated datasets. Existing cataract surgery resources lack the diversity and annotation depth required to train generalizable deep-learning models. To address this gap, we present a dataset of 3,000 phacoemulsification cataract surgery videos acquired at two surgical centers from surgeons with varying expertise. The dataset provides four annotation layers: temporal surgical phases, instance segmentation of instruments and anatomical structures, instrument-tissue interaction tracking, and quantitative skill scores based on competency rubrics adapted from ICO-OSCAR and GRASIS. We demonstrate the technical utility of the dataset through benchmarking deep learning models across four tasks: workflow recognition, scene segmentation, instrument-tissue interaction tracking, and automated skill assessment. Furthermore, we establish a domain-adaptation baseline for phase recognition and instance segmentation by training on one surgical center and evaluating on a held-out center. Ultimately, these multi-source acquisitions, multi-layer annotations, and paired skill-kinematic labels facilitate the development of generalizable multi-task models for surgical workflow analysis, scene understanding, and competency-based training research. The dataset and annotations are available in Google Form (https://docs.google.com/forms/d/e/1FAIpQLSfmyMAPSTGrIy2sTnz0-TMw08ZagTimRulbAQcWdaPwDy187A/viewform?usp=dialog).
Authors: Mir Nafis Sharear Shopnil, Sharad Duwal, Abhishek Tyagi, Adiba Mahbub Proma
Abstract: We present MERIT, an inference-time modular framework for multimodal misinformation detection that decomposes verification into four specialized modules: visual forensics, cross-modal alignment, retrieval-augmented claim verification, and calibrated judgment. On MMFakeBench, MERIT with GPT-4o-mini achieves 81.65% F1, outperforming all reported zero-shot baselines including GPT-4V with MMD-Agent (74.0% F1). A controlled same-model evaluation confirms gains stem from architectural design: MERIT achieves 6.14 points higher misinformation recall than MMD-Agent under identical model conditions, with per-class gains of +18.0 on visual distortion and +5.33 on textual distortion. Ablation studies reveal non-overlapping module specialization, where removing any module disproportionately degrades its target category while leaving others intact. Test set evaluation on 5,000 samples confirms generalization within 0.21 F1 points of validation results. The framework operates with any instruction-following vision-language model and produces citation-linked rationales for human review.
Authors: Tianyu Fu, Yichen You, Zekai Chen, Guohao Dai, Huazhong Yang, Yu Wang
Abstract: Improving reasoning abilities of Large Language Models (LLMs), especially under parameter constraints, is crucial for real-world applications. Looped transformers address this by performing multiple latent iterations to refine each token beyond a single forward pass. However, we identify a latent overthinking phenomenon: most token predictions are already correct after the first pass, but are sometimes revised into errors in later iterations. In this work, we ask whether selectively skipping latent iterations may improve accuracy. We reveal significant potential with an oracle iteration policy that boosts model performance by up to 7.3%. Motivated by this, we propose Think-at-Hard (TaH), a looped transformer optimized for selective iteration. TaH employs a lightweight neural decider to trigger latent iteration only at tokens that are likely incorrect after the standard forward pass. During latent iterations, depth-aware Low-Rank Adaptation (LoRA) modules shift the LLM's objective from general next-token prediction to focused hard-token refinement. A duo-causal attention mechanism extends attention from the token sequence dimension to an additional iteration depth dimension, enabling cross-iteration information flow with full sequential parallelism. Experiments on nine benchmarks show consistent gains across math, QA, and coding tasks. With identical parameter counts, TaH outperforms always-iterate baselines by 3.8-4.4% while skipping iterations on 93% of tokens, and exceeds single-iteration Qwen3 baselines by 3.0-3.8%. When allowing <3% more parameters from LoRA and decider modules, the gains further increase to 5.3-6.2% and 6.1-6.8%, respectively. Our code is available at https://github.com/thu-nics/TaH.
Authors: Shreyas Bharadwaj, Bamdev Mishra, Cyrus Mostajeran, Alberto Padoan, Jeremy Coulson, Ravi N. Banavar
Abstract: The paper studies a geometrically robust least-squares problem that extends classical and norm-based robust formulations. Rather than minimizing residual error for fixed or perturbed data, we interpret least-squares as enforcing approximate subspace inclusion between measured and true data spaces. The uncertainty in this geometric relation is modeled as a metric ball on the Grassmannian manifold, leading to a min-max problem over Euclidean and manifold variables. The inner maximization admits a closed-form solution, enabling an efficient algorithm with a transparent geometric interpretation. Applied to robust finite-horizon linear-quadratic tracking in data-enabled predictive control, the method improves upon existing robust least-squares formulations, achieving stronger robustness and favorable scaling under small uncertainty.
Authors: Lukas Billera, Hedwig Nora Nordlinder, Jack Collier Ryder, Anton Oresten, Aron St{\aa}lmarck, Theodor Mosetti Bj\"ork, Ben Murrell
Abstract: Diffusion and flow matching approaches to generative modeling have shown promise in domains where the state space is continuous, such as image generation or protein folding & design, and discrete, exemplified by diffusion large language models. They offer a natural fit when the number of elements in a state is fixed in advance (e.g. images), but require ad hoc solutions when, for example, the length of a response from a large language model, or the number of amino acids in a protein chain is not known a priori. Here we propose Branching Flows, a generative modeling framework that, like diffusion and flow matching approaches, transports a simple distribution to the data distribution. But in Branching Flows, the elements in the state evolve over a forest of binary trees, branching and dying stochastically with rates that are learned by the model. This allows the model to control, during generation, the number of elements in the sequence. We also show that Branching Flows can compose with any flow matching base process on discrete sets, continuous Euclidean spaces, smooth manifolds, and `multimodal' product spaces that mix these components. We demonstrate this in three domains: small molecule generation (multimodal), antibody sequence generation (discrete), and protein backbone generation (multimodal), and show that Branching Flows is a capable distribution learner with a stable learning objective, and that it enables new capabilities.
Authors: Mahsa Mitcheff, Siamul Karim Khan, Adam Czajka
Abstract: Developing reliable iris recognition and presentation attack detection methods requires diverse datasets that capture realistic variations in iris features and a wide spectrum of anomalies. Because of the rich texture of iris images, which spans a wide range of spatial frequencies, synthesizing same-identity iris images while controlling specific attributes remains challenging. In this work, we introduce a new iris image augmentation strategy by traversing a generative model's latent space toward latent codes that represent same-identity samples but with some desired iris image properties manipulated. The latent space traversal is guided by a gradient of specific geometrical, textural, or quality-related iris image features (e.g., sharpness, pupil size, iris size, or pupil-to-iris ratio) and preserves the identity represented by the image being manipulated. The proposed approach can be easily extended to manipulate any attribute for which a differentiable loss term can be formulated. Additionally, our approach can use either randomly generated images using either a pre-train GAN model or real-world iris images. We can utilize GAN inversion to project any given iris image into the latent space and obtain its corresponding latent code.
Authors: J. Javier Alonso-Ramos, Ignacio Aguilera-Martos, Francisco Herrera, Andr\'es Herrera-Poyatos
Abstract: In the Data-Centric Artificial Intelligence (AI) paradigm, improving data quality is essential for robust machine learning. However, many denoising methods rely on rigid statistical assumptions or require clean reference data, which limits their applicability in real-world scenarios. In this work, we propose DenoGrad, a gradient-based framework for data refinement that leverages a pretrained neural network to iteratively correct noisy observations by optimizing the input space while keeping the model fixed. DenoGrad is applicable to both tabular regression and time-series forecasting, and incorporates a consensus-based strategy to ensure temporally coherent updates in sequential settings. Experiments on ten real-world datasets show that the proposed approach yields consistent improvements in downstream predictive performance while preserving the statistical structure of the data, as measured by distributional and correlation-based metrics. In addition, DenoGrad can improve generalization in nominally clean datasets, acting as a form of dataset-level regularization. These results support model-guided data refinement as a practical component of data-centric machine learning workflows. Code is available at: https://github.com/ari-dasci/S-DenoGrad.
Authors: Lech Madeyski, Barbara Kitchenham, Martin Shepperd
Abstract: Context: Large language models (LLMs) are increasingly used to screen literature for systematic reviews (SRs), but the standard confusion-matrix metrics used to evaluate them can mislead under the imbalanced, cost-asymmetric conditions of screening. Objective: We develop and justify LLM4SCREENLIT-practical recommendations for researchers conducting LLM-screening evaluations and for editors and reviewers assessing such studies-differentiated by study type (retrospective benchmarking vs deployment for a specific SR). Method: Using Delgado-Chaves et al. (2025), an 18-LLM benchmark across three biomedical SRs, as a motivating example, we reviewed 28 additional papers and extracted their reported metrics. We propose a Weighted Matthews Correlation Coefficient (WMCC) that integrates MCC's chance-correction with asymmetric misclassification costs, and validated it on three software-engineering (SE) reanalyses, the largest covering 9 LLMs x 24 SE secondary studies (34,528 articles). Results: Across the 29 papers, only 10% reported MCC, only 24% reported full confusion matrices, and none of the five papers claiming workload savings priced false-negative cost. In the largest SE reanalysis, MCC and WMCC disagree on the best LLM in 55% of evaluable studies; in the most striking 9,695-article SE study, the Accuracy-best LLM loses 63.3% of relevant evidence (Lost Evidence), the MCC-best 43.9%, but the WMCC-best only 5.8%. Sensitivity analysis (median crossover at w~=2.7, all <7) supports w=10 as a conservative default. Conclusions: SR-screening evaluations should prioritize Lost Evidence and use cost-sensitive WMCC alongside MCC for ranking. Reporting must include the full confusion matrix and treat unclassifiable outputs as positives requiring human review. Designs should be leakage-aware, with non-LLM baselines when the study aims to inform SR practice and labels are available.
Authors: Jonas Bode, Raphael Memmesheimer, Sven Behnke
Abstract: Acting in human environments is a crucial capability for general-purpose robots, necessitating a robust understanding of natural language and its application to physical tasks. This paper seeks to harness the capabilities of diffusion models within a visuomotor policy framework that merges visual and textual inputs to generate precise robotic trajectories. By employing reference demonstrations during training, the model learns to execute manipulation tasks specified through textual commands within the robot's immediate environment. The proposed research aims to extend an existing model by leveraging improved embeddings, and adapting techniques from diffusion models for image generation. We evaluate our methods on the CALVIN dataset, proving enhanced performance on various manipulation tasks and an increased long-horizon success rate when multiple tasks are executed in sequence. Our approach reinforces the usefulness of diffusion models and contributes towards general multitask manipulation.
Authors: Basel Shbita, Farhan Ahmed, Chad DeLuca
Abstract: Large language models (LLMs) have shown great promise in generating structured diagrams from natural language descriptions, particularly Mermaid sequence diagrams for software engineering. However, the lack of existing benchmarks to assess the LLM's correctness on this task hinders the reliable deployment of these models in production environments. To address this shortcoming, we introduce MermaidSeqBench, a human-verified and LLM-synthetically-extended benchmark for assessing LLM capabilities in generating Mermaid sequence diagrams from natural language prompts. The benchmark consists of 132 samples developed via a hybrid methodology of human-verified flows, LLM-based augmentation, and rule-based expansion. The evaluation uses an LLM-as-a-judge model to assess generation across various fine-grained metrics such as syntax correctness, activation handling, error handling, and practical usability. To demonstrate the effectiveness and flexibility of our benchmark, we perform initial evaluations on numerous state-of-the-art LLMs with multiple LLM judges which reveal significant capability gaps across models and evaluation modes. MermaidSeqBench provides a foundation for evaluating structured diagram generation and establishes the correctness standards needed for real-world software engineering deployment.
Authors: Nikolay Nikolov, Giuliano Albanese, Sombit Dey, Aleksandar Yanev, Luc Van Gool, Jan-Nico Zaech, Danda Pani Paudel
Abstract: Robotic Foundation Models (RFMs) hold great promise as generalist, end-to-end systems for robot control. Yet their ability to generalize across new environments, tasks, and embodiments remains limited. We argue that a major bottleneck lies in their foundations: most RFMs are built by fine-tuning internet-pretrained Vision-Language Models (VLMs). However, these VLMs are trained on 2D image-language tasks and lack the 3D spatial reasoning inherently required for embodied control in the 3D world. Bridging this gap directly with large-scale robotic data is costly and difficult to scale. Instead, we propose to enrich easy-to-collect non-robotic image data with 3D annotations and enhance a pretrained VLM with 3D understanding capabilities. Following this strategy, we train SPEAR-VLM, a 3D-aware VLM that infers object coordinates in 3D space from a single 2D image. Building on SPEAR-VLM, we introduce our main contribution, $~\textbf{SPEAR-1}$: a robotic foundation model that integrates grounded 3D perception with language-instructed embodied control. Trained on $\sim$45M frames from 24 Open X-Embodiment datasets, SPEAR-1 outperforms or matches state-of-the-art models such as $\pi_0$-FAST and $\pi_{0.5}$, while it uses 20$\times$ fewer robot demonstrations. This carefully-engineered training strategy unlocks new VLM capabilities and as a consequence boosts the reliability of embodied control beyond what is achievable with only robotic data. We make our model weights and 3D-annotated datasets publicly available at https://spear.insait.ai.
URLs: https://spear.insait.ai.
Authors: Yifan Sun, Zhi Li, Tetsuya Imamura, Yuji Ohishi, Chris Wolverton, Ken Kurosaki
Abstract: Thermoelectrics (TEs) are promising candidates for energy harvesting with performance quantified by figure of merit, $ZT$. To accelerate the discovery of high-$ZT$ materials, efforts have focused on identifying compounds with low thermal conductivity $\kappa$. Using a curated dataset of 71,913 entries, we show that high-$ZT$ materials reside not only in the low-$\kappa$ regime but also cluster near a lattice-to-total thermal conductivity ratio ($\kappa_\mathrm{L}/\kappa$) of approximately 0.5. This optimal ratio provides a quantitative descriptor for the well-known phonon-glass electron-crystal (PGEC) design concept. Building on this insight, we construct a framework consisting of two machine learning models for the lattice and electronic components of thermal conductivity that jointly provide both $\kappa$ and $\kappa_\mathrm{L}/\kappa$ for screening and guiding the optimization of TE materials. By applying this framework to 104,567 inorganic compounds, we identify 2,522 ultralow-$\kappa$ candidates while simultaneously evaluating their proximity to the optimal PGEC regime. A follow-up case study on chemical doping demonstrates how the framework can qualitatively provide optimization strategies that shift pristine materials toward the ideal $\kappa_\mathrm{L}/\kappa$ $\approx$ 0.5 target. Ultimately, by integrating rapid screening with PGEC-guided optimization, our data-driven framework takes a critical step towards closing the gap between materials discovery and performance enhancement.
Authors: Robert W. Batterman, James F. Woodward
Abstract: This paper argues that dataset structure is important in image recognition tasks (among other tasks). Specifically, we focus on the nature and genesis of correlational structure in the actual datasets upon which DNNs are trained. We argue that DNNs are implementing a widespread methodology in condensed matter physics and materials science that focuses on mesoscale correlation structures that live between fundamental atomic/molecular scales and continuum scales. Specifically, we argue that DNNs that are successful in image classification must be discovering high order correlation functions. It is well-known that DNNs successfully generalize in apparent contravention of standard statistical learning theory. We consider the implications of our discussion for this puzzle.
Authors: X. Y. Han, Yuan Zhong
Abstract: In large-scale AI training, Sparse Mixture-of-Experts (s-MoE) layers enable scaling by activating only a small subset of experts per token. An operational challenge in this design is load balancing: routing tokens to minimize the number of idle experts, which is important for the efficient utilization of costly GPUs and for the thorough training of architecture parameters across all experts. We provide a theoretical framework for analyzing the Auxiliary-Loss-Free Load Balancing (ALF-LB) procedure -- proposed by DeepSeek's Wang et al. (2024) -- by casting it as a primal-dual method using a single-shot, constant-time update per training iteration for solving an assignment problem. First, in a stylized deterministic setting, our framework yields several insightful structural properties: (i) a monotonic improvement condition for the Lagrangian objective, (ii) a preference rule that moves tokens from overloaded to underloaded experts, and (iii) an approximate-balancing guarantee. Then, we incorporate the stochastic and dynamic nature of AI training using a generalized online optimization formulation. In the online setting, we derive a strong convexity property of the objective that leads to a logarithmic expected regret bound under certain step-size choices. Additionally, we present real experiments on 1B-parameter DeepSeekMoE models to complement our theoretical findings. Together, these results build a principled framework for analyzing the Auxiliary-Loss-Free Load Balancing of s-MoE in AI models.
Authors: Chujie Zhao, Qun Hu, Shiping Song, Dagui Chen, Han Zhu, Jian Xu, Bo Zheng
Abstract: The commercialization of LLM applications is the next frontier in online advertising, with LLM-native advertising emerging as a promising paradigm by integrating ads into LLM-generated content. However, classic mechanisms are no longer applicable in this setting where the auction object is shifted from discrete ad slots to distributions over LLM outputs, and existing methods are impractical in industrial scenarios due to ignored externalities or high inference costs. To address these issues, we propose LLM-Auction, the first learning-based generative auction mechanism that integrates auction and generation. By formulating the allocation as preference alignment between LLM outputs and a mechanism objective that balances advertisers' value and user experience, we optimize the LLMs to inherently model allocation externalities without extra inference cost. Theoretically, we identify the allocation monotonicity and continuity of LLM-Auction, and prove that a simple first-price payment rule exhibits favorable incentive properties. Furthermore, we build an LLM-as-a-judge simulation environment for quantitative evaluation, and experiments demonstrate that LLM-Auction achieves the state-of-the-art allocation efficiency while satisfying key mechanism properties.
Authors: Asaf Ben Arie, Malka Gorfine
Abstract: We propose a flexible deep neural network (DNN) framework for modeling survival data within a partially linear regression structure. The approach preserves interpretability through a parametric linear component for covariates of primary interest, while a nonparametric DNN component captures complex time-covariate interactions among nuisance variables. We refer to the method as FLEXI-Haz, a FLEXIble Hazard model with a partially linear structure. In contrast to existing DNN approaches for partially linear Cox models, FLEXI-Haz does not rely on the proportional hazards assumption. We establish theoretical guarantees: the neural network component attains minimax-optimal convergence rates over composite H\"older classes, the linear estimator is sqrt-n-consistent, asymptotically normal, and semiparametrically efficient, and we develop a cross-fitted one-step estimator of the cumulative hazard and survival function for a new subject, together with pointwise asymptotic confidence intervals. To the best of our knowledge, this is the first frequentist asymptotic pointwise inference result for a survival function in a DNN survival model, with or without a linear component. Simulations and real-data analyses demonstrate the utility of FLEXI-Haz as a principled and interpretable alternative to methods based on proportional hazards.
Authors: John Tanner, Nicholas Davies, Pascal Jahan Elahi, Casey R. Myers, Du Huynh, Wei Liu, Mark Reynolds, Jingbo Wang
Abstract: Illegal, unreported, and unregulated (IUU) fishing causes global economic losses of 10-25 billion USD annually and undermines marine sustainability and governance. Synthetic Aperture Radar (SAR) provides reliable maritime surveillance under all weather and lighting conditions, but classifying small maritime objects in SAR imagery remains challenging. We investigate quantum machine learning for this task, focusing on quantum kernel methods (QKMs) applied to real and complex SAR chips extracted from the SARFish dataset. We tackle two binary classification problems, the first for distinguishing vessels from non-vessels, and the second for distinguishing fishing vessels from other types of vessels. We compare QKMs applied to real and complex SAR chips against classical Laplacian, RBF, and linear kernels applied to real SAR chips. We restrict the comparison to be between just kernel based models so that the comparison is as fair and meaningful as possible. Using noiseless numerical simulations of the quantum kernels, we find that with the real SAR chips, QKMs are capable of obtaining equal or better performance than the classical kernels in the best case. However, the specific quantum kernel used to encode the complex SAR data overfits and performs poorly. This work presents the first application of QKMs to maritime classification in SAR imagery and offers insight into the potential and current limitations of quantum-enhanced learning for maritime surveillance.
Authors: Yingzhen Yang
Abstract: We study the problem of learning a low-degree spherical polynomial of degree $\ell_0 = \Theta(1) \ge 1$ defined on the unit sphere in $\RR^d$ by training an over-parameterized two-layer neural network (NN) with channel attention in this paper. Our main result is the significantly improved sample complexity for learning such low-degree polynomials. We show that, for any regression risk $\eps \in (0,1)$, a carefully designed two-layer NN with channel attention and finite width trained by the vanilla gradient descent (GD) requires the lowest sample complexity of $n \asymp \Theta(d^{\ell_0}/\eps)$ with high probability, in contrast with the representative sample complexity $\Theta\pth{d^{\ell_0} \max\set{\eps^{-2},\log d}}$, where $n$ is the training data size. Moreover, such sample complexity is not improvable since the trained network renders a sharp rate of the nonparametric regression risk of the order $\Theta(d^{\ell_0}/{n})$ with high probability. On the other hand, the minimax optimal rate for the regression risk with a kernel of rank $\Theta(d^{\ell_0})$ is $\Theta(d^{\ell_0}/{n})$, so that the rate of the nonparametric regression risk of the network trained by GD is minimax optimal. Training the two-layer NN with channel attention proceeds in two stages: (1) a provable learnable channel selection algorithm, as a learnable harmonic-degree selection process, identifies the ground truth channel number in the target function, $\ell_0$, from $L \ge \ell_0$ channels in the first-layer activation; (2) the second layer is trained by standard GD using the selected channels. To the best of our knowledge, this is the first time a minimax optimal risk bound is obtained by training an over-parameterized but finite-width neural network with feature learning capability to learn low-degree spherical polynomials.
Authors: Yuan-Sen Ting, Andr\'e Curtis-Trudel, Siyu Yao
Abstract: Artificial intelligence is rapidly transforming astronomical research, yet the scientific community has largely treated this transformation as an engineering challenge rather than an epistemological one. This perspective article argues that philosophy of science offers essential tools for navigating AI's integration into astronomy--conceptual clarity about what "understanding" means, critical examination of assumptions about data and discovery, and frameworks for evaluating AI's roles across different research contexts. Drawing on an interdisciplinary workshop convening astronomers, philosophers, and computer scientists, we identify several tensions. First, the narrative that AI will "derive fundamental physics" from data misconstrues contemporary astronomy as equation-derivation rather than the observation-driven enterprise it is. Second, scientific understanding involves more than prediction--it requires narrative construction, contextual judgment, and communicative achievement that current AI architectures struggle to provide. Third, because narrative and judgment matter, human peer review remains essential--yet AI-generated content flooding the literature threatens our capacity to identify genuine insight. Fourth, while AI excels at well-defined problem-solving, the ill-defined problem-finding that drives breakthroughs appears to require capacities beyond pattern recognition. Fifth, as AI accelerates what is feasible, pursuitworthiness criteria risk shifting toward what AI makes easy rather than what is genuinely important. We propose "pragmatic understanding" as a framework for integration--recognizing AI as a tool that extends human cognition while requiring new norms for validation and epistemic evaluation. Engaging with these questions now may help the community shape the transformation rather than merely react to it.
Authors: Hoang Viet Nguyen, Manh Hung Nguyen, Hoang Ta, Van Khu Vu, Yeow Meng Chee
Abstract: Quantum error correction is a key ingredient for large scale quantum computation, protecting logical information from physical noise by encoding it into many physical qubits. Topological stabilizer codes are particularly appealing due to their geometric locality and practical relevance. In these codes, stabilizer measurements yield a syndrome that must be decoded into a recovery operation, making decoding a central bottleneck for scalable real time operation. Existing decoders are commonly classified into two categories. Classical algorithmic decoders provide strong and well established baselines, but may incur substantial computational overhead at large code distances or under stringent latency constraints. Machine learning based decoders offer fast GPU inference and flexible function approximation, yet many approaches do not explicitly exploit the lattice geometry and local structure of topological codes, which can limit performance. In this work, we propose QuantumSMoE, a quantum vision transformer based decoder that incorporates code structure through plus shaped embeddings and adaptive masking to capture local interactions and lattice connectivity, and improves scalability via a mixture of experts layer with a novel auxiliary loss. Experiments on the toric code demonstrate that QuantumSMoE outperforms state-of-the-art machine learning decoders as well as widely used classical baselines.
Authors: Xue Jiang, Ge Li, Jiaru Qian, Xianjie Shi, Chenjie Li, Hao Zhu, Ziyu Wang, Jielun Zhang, Zheyu Zhao, Lingwei Wu, Kechi Zhang, Jia Li, Wenpin Jiao, Zhi Jin, Yihong Dong
Abstract: Large language models (LLMs) excel at general programming but struggle with domain-specific software development, necessitating domain specialization methods for LLMs to learn and utilize domain knowledge and data. However, existing domain-specific code benchmarks cannot evaluate the effectiveness of domain specialization methods, which focus on assessing what knowledge LLMs possess rather than how they acquire and apply new knowledge, lacking explicit knowledge corpora for developing domain specialization methods. To this end, we present KOCO-BENCH, a novel benchmark designed for evaluating domain specialization methods in real-world software development. KOCO-BENCH contains 6 emerging domains with 11 software frameworks and 25 projects, featuring curated knowledge corpora alongside multi-granularity evaluation tasks including domain code generation (from function-level to project-level with rigorous test suites) and domain knowledge understanding (via multiple-choice Q&A). Unlike previous benchmarks that only provide test sets for direct evaluation, KOCO-BENCH requires acquiring and applying diverse domain knowledge (APIs, rules, constraints, etc.) from knowledge corpora to solve evaluation tasks. Our evaluations reveal that KOCO-BENCH poses significant challenges to state-of-the-art LLMs. Even with domain specialization methods (e.g., SFT, RAG, kNN-LM) applied, improvements remain marginal. Best-performing coding agent, Claude Code, achieves only 34.2%, highlighting the urgent need for more effective domain specialization methods. We release KOCO-BENCH, evaluation code, and baselines to advance further research at https://github.com/jiangxxxue/KOCO-bench.
Authors: Jingxin Wang, Shitong Guo, Wenhui Liang, Ruicheng Dai, Ruogu Ding, Xin Ning, Weikang Qian
Abstract: Targeting error-tolerant applications, approximate computing relaxes rigid functional equivalence to significantly improve power, performance, and area. Traditional approximate logic synthesis (ALS) relies on incremental rewriting, limiting design space exploration. Meanwhile, the inherently probabilistic nature of Transformer-based generative AI makes it a natural fit for generating approximate circuits. Exploiting this, we propose GTAC, an end-to-end framework for arbitrary-scale generative ALS. To overcome the memory bottleneck of generative AI, GTAC partitions a large circuit into tractable subcircuits, applies a generative core to produce approximate candidates for each subcircuit, and finally selects proper candidates to form the final design. Its core generative Transformer utilizes a novel irredundant encoding to compactly encode a circuit, alongside a masking mechanism to exclude designs violating the given error bound. Empowered by a self-evolutionary training strategy, GTAC establishes a new paradigm that demonstrates superior performance: It reduces delay by 30.9% and gate count by 50.5% over exact generative baselines and saves 6.5% area with a 4.3x speedup against traditional ALS methods. Furthermore, its irredundant encoding achieves a 33.3x reduction in sequence length and a 61.6x reduction in peak memory compared to conventional memoryless traversal.
Authors: Weiqin Yang, Bohao Wang, Zhenxiang Xu, Jiawei Chen, Shengjia Zhang, Jingbang Chen, Canghong Jin, Can Wang
Abstract: Recent years have seen a rapid surge in research leveraging Large Language Models (LLMs) for recommendation. These methods typically employ supervised fine-tuning (SFT) to adapt LLMs to recommendation scenarios, and utilize beam search during inference to efficiently retrieve $B$ top-ranked recommended items. However, we identify a critical training-inference inconsistency: while SFT optimizes the overall probability of positive items, it does not guarantee that such items will be retrieved by beam search even if they possess high overall probabilities. Due to the greedy pruning mechanism, beam search can prematurely discard a positive item once its prefix probability is insufficient. To address this inconsistency, we propose BEAR (Beam-SEarch-Aware Regularization), a novel fine-tuning objective that explicitly accounts for beam search behavior during training. Rather than directly simulating beam search for each instance during training, which is computationally prohibitive, BEAR enforces a relaxed necessary condition: each token in a positive item must rank within the top-$B$ candidate tokens at each decoding step. This objective effectively mitigates the risk of incorrect pruning while incurring negligible computational overhead compared to standard SFT. Extensive experiments across four real-world datasets demonstrate that BEAR significantly outperforms strong baselines. Code is available at https://github.com/Tiny-Snow/BEAR-SIGIR-2026 .
Authors: Sahasrajit Sarmasarkar
Abstract: We present the first algorithms for generalized linear contextual bandits under shuffle differential privacy and joint differential privacy. While prior work on private contextual bandits has been restricted to linear reward models -- which admit closed-form estimators -- generalized linear models (GLMs) pose fundamental new challenges: no closed-form estimator exists, requiring private convex optimization; privacy must be tracked across multiple evolving design matrices; and optimization error must be explicitly incorporated into regret analysis. We address these challenges under two privacy models and context settings. For stochastic contexts, we design a shuffle-DP algorithm achieving $\tilde{O}(d^{3/2}\sqrt{T \log T}/\sqrt{\varepsilon})$ regret in dominant term, differing from the non-private rate by a factor of $\sqrt{d/\varepsilon}$. For adversarial contexts, we provide a joint-DP algorithm with regret $\tilde{O}\!\big(d\sqrt{T} \log T + d^{3/4}\sqrt{T/\varepsilon}\,(\log T)\,(d + \log T)^{1/4}\big)$ -- matching the non-private rate $\tilde{O}(d\sqrt{T} \log T)$ in the leading term, with privacy contributing only an additive correction. Unlike prior work on locally private GLM bandits, our methods require no spectral assumptions on the context distribution beyond $\ell_2$ boundedness.
Authors: Eric Gelphman, Deepanshu Verma, Nicole Tianjiao Yang, Stanley Osher, Samy Wu Fung
Abstract: Optimal feedback control with implicit Hamiltonians poses a fundamental challenge for learning-based value function methods due to the absence of closed-form optimal control laws. Recent work~\cite{gelphman2025end} introduced an implicit deep learning approach using Jacobian-Free Backpropagation (JFB) to address this setting, but only established sample-wise descent guarantees. In this paper, we establish convergence guarantees for JFB in the stochastic minibatch setting, showing that the resulting updates converge to stationary points of the expected optimal control objective. We further demonstrate scalability on substantially higher-dimensional problems, including multi-agent optimal consumption and swarm-based quadrotor and bicycle control. Together, our results provide both theoretical justification and empirical evidence for using JFB in high-dimensional optimal control with implicit Hamiltonians.
Authors: Martin G. Frasch, Marlene J. E. Mayer, Clara Becker, Peter Zimmermann, Camilla Zelgert, Marta C. Antonelli, Silvia M. Lobmaier
Abstract: Prenatal psychological stress affects 15-25% of pregnancies and increases risks of preterm birth, low birth weight, and adverse neurodevelopmental outcomes. Current screening relies on subjective questionnaires (PSS-10), limiting continuous monitoring. We developed deep learning models for stress detection from electrocardiography (ECG) using the FELICITy 1 cohort (151 pregnant women, 32-38 weeks gestation). A ResNet-34 encoder was pretrained via SimCLR contrastive learning on 40,692 ECG segments per subject. Multi-layer feature extraction enabled binary classification and continuous PSS prediction across maternal (mECG), fetal (fECG), and abdominal ECG (aECG). External validation used the FELICITy 2 RCT (28 subjects, different ECG device, yoga intervention vs. control). On FELICITy 1 (5-fold CV): mECG 98.6% accuracy (R2=0.88, MAE=1.90), fECG 99.8% (R2=0.95, MAE=1.19), aECG 95.5% (R2=0.75, MAE=2.80). External validation on FELICITy 2: mECG 77.3% accuracy (R2=0.62, MAE=3.54, AUC=0.826), aECG 63.6% (R2=0.29, AUC=0.705). Signal quality-based channel selection outperformed all-channel averaging (+12% R2 improvement). Mixed-effects models detected a significant intervention response (p=0.041). Self-supervised deep learning on pregnancy ECG enables accurate, objective stress assessment, with multi-layer feature extraction substantially outperforming single embedding approaches.
Authors: Brandon Yee, Lucas Wang, Kundana Kommini
Abstract: We present Geodesic Semantic Search (GSS), a retrieval system that learns node-specific Riemannian metrics on citation graphs to enable geometry-aware semantic search. Unlike standard embedding-based retrieval that relies on fixed Euclidean distances, \gss{} learns a low-rank metric tensor $\mL_i \in \R^{d \times r}$ at each node, inducing a local positive semi-definite metric $\mG_i = \mL_i \mL_i^\top + \eps \mI$. This parameterization guarantees valid metrics while keeping the model tractable. Retrieval proceeds via multi-source Dijkstra on the learned geodesic distances, followed by Maximal Marginal Relevance reranking and path coherence filtering. On citation prediction benchmarks with 169K arXiv papers, GSS achieves 23\% relative improvement in Recall@20 over SPECTER+FAISS baselines. We provide a Bridge Recovery Guarantee characterizing when geodesic retrieval qualitatively outperforms direct similarity, a margin separation result connecting training loss to retrieval quality, and characterize the expressiveness of low-rank metric parameterization. Our hierarchical coarse-to-fine search with k-means pooling reduces computational cost by $4\times$ while maintaining 97\% retrieval quality.
Authors: Zihao Zheng, Zhihao Mao, Maoliang Li, Jiayu Chen, Xinhao Sun, Zhaobo Zhang, Donggang Cao, Hong Mei, Xiang Chen
Abstract: Vision-Language-Action (VLA) models build a token-domain robot control paradigm, yet suffer from low speed. Speculative Decoding (SD) is an optimization strategy that can boost inference speed. Two key issues emerge when integrating VLA and SD: first, SD relies on re-inference to address token errors, which is computationally expensive; second, to mitigate token errors, the acceptance threshold in SD requires careful adjustment. Existing works fail to address the above two issues effectively. Meanwhile, as the bridge between AI and the physical world, existing embodied intelligence has overlooked the application of robotic kinematics. To address these issues, we innovatively combine token-domain VLA models with kinematic-domain prediction for SD, proposing a kinematic-rectified SD framework named KERV. We employ a kinematics-based Kalman Filter to predict actions and compensate for SD errors, avoiding costly re-inference. Moreover, we design a kinematics-based adjustment strategy to dynamically rectify the acceptance threshold, addressing the difficulty of threshold determination. Experimental results across diverse tasks and environments demonstrate that KERV achieves 27%~37% acceleration with nearly no Success Rate loss.
Authors: Junyi Zhang, Charles Herrmann, Junhwa Hur, Chen Sun, Ming-Hsuan Yang, Forrester Cole, Trevor Darrell, Deqing Sun
Abstract: Feedforward geometric foundation models achieve strong short-window reconstruction, yet scaling them to minutes-long videos is bottlenecked by quadratic attention complexity or limited effective memory in recurrent designs. We present LoGeR (Long-context Geometric Reconstruction), a novel architecture that scales dense 3D reconstruction to extremely long sequences without post-optimization. LoGeR processes video streams in chunks, leveraging strong bidirectional priors for high-fidelity intra-chunk reasoning. To manage the critical challenge of coherence across chunk boundaries, we propose a learning-based hybrid memory module. This dual-component system combines a parametric Test-Time Training (TTT) memory to anchor the global coordinate frame and prevent scale drift, alongside a non-parametric Sliding Window Attention (SWA) mechanism to preserve uncompressed context for high-precision adjacent alignment. Remarkably, this memory architecture enables LoGeR to be trained on sequences of 128 frames, and generalize up to thousands of frames during inference. Evaluated across standard benchmarks and a newly repurposed VBR dataset with sequences of up to 19k frames, LoGeR substantially outperforms prior state-of-the-art feedforward methods--reducing ATE on KITTI by over 74%--and achieves robust, globally consistent reconstruction over unprecedented horizons.
Authors: Hailing Cheng, Yafang Yang, Hemeng Tao, Fengyu Zhang
Abstract: Model calibration and debiasing are fundamental yet operationally expensive challenges in large-scale recommendation systems. Existing approaches treat them as separate problems requiring distinct infrastructure: post-hoc calibration pipelines, propensity estimation workflows, and per-segment model farms. We introduce the Isotonic Layer, a differentiable piecewise linear module that unifies both problems within a single, lightweight architectural component - requiring no additional data preprocessing, no propensity estimation, and no separate calibration pipelines. The core insight is elegant: by parameterizing non-negative bucket weights as learnable context embeddings, the model automatically learns all calibration and debiasing functions end-to-end from standard training data. Swapping in a different embedding (position, device type, advertiser ID, or any combination) instantly yields calibration tailored to that sub-segment at arbitrary granularity in any high-dimensional feature space, with no engineering changes beyond a single embedding lookup. The same layer handles post-hoc calibration, position debiasing, and heterogeneous multi-task bias correction within one unified framework. This paper offers a principled, practical simplification: a plug-and-play solution that replaces fragmented, high-maintenance calibration infrastructure with a single end-to-end trainable component. Extensive production A/B tests confirm significant improvements in predictive accuracy, calibration fidelity, and ranking consistency.
Authors: Raghavv Goel, Risheek Garrepalli, Sudhanshu Agrawal, Chris Lott, Mingu Lee, Fatih Porikli
Abstract: Autoregressive (AR) language models build representations incrementally via left-to-right prediction, while diffusion language models (dLLMs) are trained through full-sequence denoising. Although recent dLLMs match AR performance, whether diffusion objectives fundamentally reshape internal representations remains unclear. We perform the first layer- and token-wise representational analysis comparing native dLLMs (LLaDA), native AR models (Qwen2.5), and AR-initialized dLLMs (Dream-7B), using cosine similarity across layers and tokens alongside static inference-time layer-skipping as an analytical probe of redundancy. We find that diffusion objectives produce more global representations with substantial early-layer redundancy and reduced recency bias, while AR objectives yield tightly coupled, locally structured representations. AR-initialized dLLMs retain AR-like dynamics despite diffusion training, revealing persistent initialization bias. Leveraging this redundancy, native dLLMs absorb up to 18.75% FLOPs reduction while retaining over 90% performance on math-reasoning and coding benchmarks, whereas AR models collapse under identical skipping, revealing that diffusion objectives, rather than architecture alone, induce depth redundancy that enables principled compression.
Authors: Rohit Goswami (Institute IMX and Lab-COSMO, \'Ecole polytechnique f\'ed\'erale de Lausanne)
Abstract: Building local surrogates to accelerate stationary point searches on potential energy surfaces spans decades of effort. Done correctly, surrogates can reduce the number of expensive electronic structure evaluations by roughly an order of magnitude while preserving the accuracy of the underlying theory, with the gain depending on oracle cost, search distance, and the availability of analytical forces. We present a unified Bayesian optimization view of minimization, single-point saddle searches, and double-ended path searches: all three share one six-step surrogate loop and differ only in the inner optimization target and the acquisition criterion. The framework uses Gaussian process regression with derivative observations, inverse-distance kernels, and active learning, and we develop optional extensions for production use, including farthest-point sampling with the Earth Mover's Distance, MAP regularization, an adaptive trust radius, and random Fourier features for scaling. Accompanying pedagogical Rust code demonstrates that all three applications use the same Bayesian optimization loop, bridging the gap between theoretical formulation and practical execution.
Authors: Kaushik Bhattacharya, Lianghao Cao, Andrew Stuart
Abstract: History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of responses needed to characterize the constitutive relation can be difficult. As a result, the data can be well explained by a range of parameter choices, leading to parameter estimates that are uncertain or unreliable. To address this issue, we propose a Bayesian optimal experimental design framework to quantify, interpret, and maximize the utility of experimental designs for reliable learning of history-dependent constitutive models. In this framework, the design utility is defined as the expected reduction in parametric uncertainty or the expected information gain. This enables in silico design optimization using simulated data and reduces the cost of physical experiments for reliable parameter identification. We introduce two approximations that make this framework practical for advanced material testing with expensive forward models and high-dimensional data: (i) a Gaussian approximation of the expected information gain, and (ii) a surrogate approximation of the Fisher information matrix. The former enables efficient design optimization and interpretation, while the latter extends this approach to batched design optimization by amortizing the cost of repeated utility evaluations. Our numerical studies of uniaxial tests for viscoelastic solids show that optimized specimen geometries and loading paths yield image and force data that significantly improve parameter identifiability relative to random designs, especially for parameters associated with memory effects.
Authors: Zihao Zheng, Zhihao Mao, Sicheng Tian, Maoliang Li, Jiayu Chen, Xinhao Sun, Zhaobo Zhang, Xuanzhe Liu, Donggang Cao, Hong Mei, Xiang Chen
Abstract: Vision-Language-Action (VLA) Models have become the mainstream solution for robot control, but suffer from slow inference speeds. Speculative Decoding (SD) is a promising acceleration method which can be divided into two categories: drafter-based SD and retrieval-based SD. Each of the two methods demonstrates complementary advantages and limitations when applied to VLA models, leading to the hypothesis that a hybrid approach integrating these two methods will yield better performance. In this paper, we first conduct a series of detailed analyses to reveal the advantages and feasibility of hybrid utilization. However, even with the aforementioned key insights, implementing hybrid SD in VLA models presents several challenges: (1) draft rejection and persistent errors in retrieval-based SD; (2) difficulty in determining the hybrid boundary. To address these, we propose the HeiSD framework. We propose a retrieval-based SD optimization method in HeiSD, which contains a verify-skip mechanism and a sequence-wise relaxed acceptance strategy. Moreover, we proposed a kinematic-based fused metric in HeiSD to automatically determine the hybrid boundary. Experimental results demonstrate that HeiSD attains a speedup of up to 2.45x in simulation benchmarks and 2.06x~2.41x in real-world scenarios, while sustaining a high task success rate.
Authors: Yixuan Zhang, Ruihao Zhu, Qiaomin Xie
Abstract: Motivated by the principle of satisficing in decision-making, we study satisficing regret guarantees for nonstationary $K$-armed bandits. We show that in the general realizable, piecewise-stationary setting with $L$ stationary segments, the optimal regret is $\Theta(L\log T)$ as long as $L\geq 2$. This stands in sharp contrast to the case of $L=1$ (i.e., the stationary setting), where a $T$-independent $\Theta(1)$ satisficing regret is achievable under realizability. In other words, the optimal regret has to scale with $T$ even if just a little nonstationarity presents. A key ingredient in our analysis is a novel Fano-based framework tailored to nonstationary bandits via a \emph{post-interaction reference} construction. This framework strictly extends the classical Fano method for passive estimation as well as recent interactive Fano techniques for stationary bandits. As a complement, we also discuss a special regime in which constant satisficing regret is again possible.
Authors: Zihao Zheng, Hangyu Cao, Jiayu Chen, Sicheng Tian, Chenyue Li, Maoliang Li, Xinhao Sun, Guojie Luo, Xiang Chen
Abstract: Vision-Language-Action (VLA) models are mainstream in embodied intelligence but face high inference costs. Edge-Cloud Collaborative (ECC) deployment offers an effective fix by easing edge-device computing pressure to meet real-time needs. However, existing ECC frameworks are suboptimal for VLA models due to two challenges: (1) Diverse model structures hinder optimal ECC segmentation point identification; (2) Even if the optimal split point is determined, changes in network bandwidth can cause performance drift. To address these issues, we propose a novel ECC deployment framework for various VLA models, termed RoboECC. Specifically, we propose a model-hardware co-aware segmentation strategy to help find the optimal segmentation point for various VLA models. Moreover, we propose a network-aware deployment adjustment approach to adapt to the network fluctuations for maintaining optimal performance. Experiments demonstrate that RoboECC achieves a speedup of up to 3.28x with only 2.55%~2.62% overhead.
Authors: Xue Jiang, Tianyu Zhang, Ge Li, Mengyang Liu, Taozhi Chen, Zhenhua Xu, Binhua Li, Wenpin Jiao, Zhi Jin, Yongbin Li, Yihong Dong
Abstract: Recent advances in reasoning Large Language Models (LLMs) have primarily relied on upfront thinking, where reasoning occurs before final answer. However, this approach suffers from critical limitations in code generation, where upfront thinking is often insufficient as problems' full complexity only reveals itself during code implementation. Moreover, it cannot adaptively allocate reasoning effort throughout the code generation process where difficulty varies significantly. In this paper, we propose Think-Anywhere, a novel reasoning mechanism that enables LLMs to invoke thinking on-demand at any token position during code generation. We achieve Think-Anywhere by first teaching LLMs to imitate the reasoning patterns through cold-start training, then leveraging outcome-based RL rewards to drive the model's autonomous exploration of when and where to invoke reasoning. Extensive experiments on four mainstream code generation benchmarks (i.e., LeetCode, LiveCodeBench, HumanEval, and MBPP) show that Think-Anywhere achieves state-of-the-art performance over both existing reasoning methods and recent post-training approaches, while demonstrating consistent generalization across diverse LLMs. Our analysis further reveals that Think-Anywhere enables the model to adaptively invoke reasoning at high-entropy positions, providing enhanced interpretability.
Authors: Ying Yao
Abstract: Unsustainable land-use practices in ecologically sensitive regions threaten biodiversity, water resources, and the livelihoods of millions. This paper presents a deep reinforcement learning (RL) framework for optimizing land-use allocation in the Lake Malawi Basin to maximize total ecosystem service value (ESV). Drawing on the benefit transfer methodology of Costanza et al., we assign biome-specific ESV coefficients -- locally anchored to a Malawi wetland valuation -- to nine land-cover classes derived from Sentinel-2 imagery. The RL environment models a 50x50 cell grid at 500m resolution, where a Proximal Policy Optimization (PPO) agent with action masking iteratively transfers land-use pixels between modifiable classes. The reward function combines per-cell ecological value with spatial coherence objectives: contiguity bonuses for ecologically connected land-use patches (forest, cropland, built area etc.) and buffer zone penalties for high-impact development adjacent to water bodies. We evaluate the framework across three scenarios: (i) pure ESV maximization, (ii) ESV with spatial reward shaping, and (iii) a regenerative agriculture policy scenario. Results demonstrate that the agent effectively learns to increase total ESV; that spatial reward shaping successfully steers allocations toward ecologically sound patterns, including homogeneous land-use clustering and slight forest consolidation near water bodies; and that the framework responds meaningfully to policy parameter changes, establishing its utility as a scenario-analysis tool for environmental planning.
Authors: Dmitry Chirkov, Igor Lobanov
Abstract: Convolutional neural networks owe much of their success to hard-coding translation equivariance. Quantum convolutional neural networks (QCNNs) have been proposed as near-term quantum analogues, but the relevant notion of translation depends on the data encoding. For address/amplitude encodings such as FRQI, a pixel shift acts as modular addition on an index register, whereas many MERA-inspired QCNNs are equivariant only under cyclic permutations of physical qubits. We formalize this mismatch and construct QCNN layers that commute exactly with the pixel cyclic shift (PCS) symmetry induced by the encoding. Our main technical result is a constructive characterization of all PCS-equivariant unitaries: conjugation by the quantum Fourier transform (QFT) diagonalizes translations, so any PCS-equivariant layer is a Fourier-mode multiplexer followed by an inverse QFT (IQFT). Building on this characterization, we introduce a deep PCS-QCNN with measurement-induced pooling, deferred conditioning, and inter-layer QFT cancellation. We also analyze trainability at random initialization and prove a lower bound on the expected squared gradient norm that remains constant in a depth-scaling regime, ruling out a depth-induced barren plateau in that sense.
Authors: Yanan Cao, Ashish Ranjan, Sinduja Subramaniam, Evren Korpeoglu, Kaushiki Nag, Kannan Achan
Abstract: Repurchase behavior is a primary signal in large-scale retail recommendation, particularly in categories with frequent replenishment: many items in a user's next basket were previously purchased, and their timing follows stable, item-specific cadences. Yet most next basket repurchase recommendation models represent history as a sequence of discrete basket events indexed by visit order, which cannot explicitly model elapsed calendar time or update item rankings as days pass between purchases. We present CASE (Cadence-Aware Set Encoding) for next basket repurchase recommendation, which decouples item-level cadence learning from cross-item interaction, enabling explicit calendar-time modeling while remaining production-scalable. CASE represents each item's purchase history as a calendar-time signal over a fixed horizon, applies shared multi-scale temporal convolutions to capture recurring rhythms, and uses induced set attention to model cross-item dependencies with sub-quadratic complexity, allowing efficient batch inference at scale. Across three public benchmarks and a proprietary dataset, CASE consistently improves precision, recall, and NDCG at multiple cutoffs compared to strong next basket recommendation baselines. In a production-scale evaluation with tens of millions of users and a large item catalog, CASE achieves up to 8.6% relative precision lift and 9.9% relative recall lift at top-5, showing that scalable cadence-aware modeling yields measurable gains in both benchmark and industrial settings.
Authors: F. Fernando Jurado-Lasso, J. F. Jurado
Abstract: Time Slotted Channel Hopping (TSCH) is a widely adopted Media Access Control (MAC) protocol within the IEEE 802.15.4e standard, designed to provide reliable and energy-efficient communication in Industrial Internet of Things (IIoT) networks. However, state-of-the-art TSCH schedulers rely on static slot allocations, resulting in idle listening and unnecessary power consumption under dynamic traffic conditions. This paper introduces RL-ASL, a reinforcement learning-driven adaptive listening framework that dynamically decides whether to activate or skip a scheduled listening slot based on real-time network conditions. By integrating learning-based slot skipping with standard TSCH scheduling, RL-ASL reduces idle listening while preserving synchronization and delivery reliability. Experimental results on the FIT IoT-LAB testbed and Cooja network simulator show that RL-ASL achieves up to 46% lower power consumption than baseline scheduling protocols, while maintaining near-perfect reliability and reducing average latency by up to 96% compared to PRIL-M. Its link-based variant, RL-ASL-LB, further improves delay performance under high contention with similar energy efficiency. Importantly, RL-ASL performs inference on constrained motes with negligible overhead, as model training is fully performed offline. Overall, RL-ASL provides a practical, scalable, and energy-aware scheduling mechanism for next-generation low-power IIoT networks.
Authors: Minh Sao Khue Luu, Evgeniy N. Pavlovskiy, Bair N. Tuchinov
Abstract: We propose a unified objective function, termed CATMIL, that augments the base segmentation loss with two auxiliary supervision terms operating at different levels. The first term, Component-Adaptive Tversky, reweights voxel contributions based on connected components to balance the influence of lesions of different sizes. The second term, based on Multiple Instance Learning, introduces lesion-level supervision by encouraging the detection of each lesion instance. These terms are combined with the standard nnU-Net loss to jointly optimize voxel-level segmentation accuracy and lesion-level detection. We evaluate the proposed objective on the MSLesSeg dataset using a consistent nnU-Net framework and 5-fold cross-validation. The results show that CATMIL achieves the most balanced performance across segmentation accuracy, lesion detection, and error control. It improves Dice score (0.7834) and reduces boundary error compared to standard losses. More importantly, it substantially increases small lesion recall and reduces false negatives, while maintaining the lowest false positive volume among compared methods. These findings demonstrate that integrating component-level and lesion-level supervision within a unified objective provides an effective and practical approach for improving small lesion segmentation in highly imbalanced settings. All code and pretrained models are available at https://github.com/luumsk/SmallLesionMRI.
Authors: Guilin Zhang, Kai Zhao, Jeffrey Friedman, Xu Chu, Amine Anoun, Jerry Ting
Abstract: Robust explanations are increasingly required for user trust in enterprise NLP, yet pre-deployment validation is difficult in the common case of black-box deployment (API-only access) where representation-based explainers are infeasible and existing studies provide limited guidance on whether explanations remain stable under real user noise, especially when organizations migrate from encoder classifiers to decoder LLMs. To close this gap, we propose a unified black-box robustness evaluation framework for token-level explanations based on leave-one-out occlusion, and operationalize explanation robustness with top-token flip rate under realistic perturbations (swap, deletion, shuffling, and back-translation) at multiple severity levels. Using this protocol, we conduct a systematic cross-architecture comparison across three benchmark datasets and six models spanning encoder and decoder families (BERT, RoBERTa, Qwen 7B/14B, Llama 8B/70B; 64,800 cases). We find that decoder LLMs produce substantially more stable explanations than encoder baselines (73% lower flip rates on average), and that stability improves with model scale (44% gain from 7B to 70B). Finally, we relate robustness improvements to inference cost, yielding a practical cost-robustness tradeoff curve that supports model and explanation selection prior to deployment in compliance-sensitive applications.
Authors: Danae S\'anchez Villegas, Samuel Lewis-Lim, Nikolaos Aletras, Desmond Elliott
Abstract: Recent advances in vision language models (VLMs) offer reasoning capabilities, yet how these unfold and integrate visual and textual information remains unclear. We analyze reasoning dynamics in 18 VLMs covering instruction-tuned and reasoning-trained models from two different model families. We track confidence over Chain-of-Thought (CoT), measure the corrective effect of reasoning, and evaluate the contribution of intermediate reasoning steps. We find that models are prone to answer inertia, in which early commitments to a prediction are reinforced, rather than revised during reasoning steps. While reasoning-trained models show stronger corrective behavior, their gains depend on modality conditions, from text-dominant to vision-only settings. Using controlled interventions with misleading textual cues, we show that models are consistently influenced by these cues even when visual evidence is sufficient, and assess whether this influence is recoverable from CoT. Although this influence can appear in the CoT, its detectability varies across models and depends on what is being monitored. Reasoning-trained models are more likely to explicitly refer to the cues, but their longer and fluent CoTs can still appear visually grounded while actually following textual cues, obscuring modality reliance. In contrast, instruction-tuned models refer to the cues less explicitly, but their shorter traces reveal inconsistencies with the visual input. Taken together, these findings indicate that CoT provides only a partial view of how different modalities drive VLM decisions, with important implications for the transparency and safety of multimodal systems.
Authors: Baoyou Chen, Hanchen Xia, Peng Tu, Haojun Shi, Liwei Zhang, Weihao Yuan, Siyu Zhu
Abstract: Autoregressive vision-language models (VLMs) deliver strong multimodal capability, but their token-by-token decoding imposes a fundamental inference bottleneck. Diffusion VLMs offer a more parallel decoding paradigm, yet directly converting a pretrained autoregressive VLM into a large-block diffusion VLM (dVLM) often leads to substantial quality degradation. In this work, we present BARD, a simple and effective bridging framework that converts a pretrained autoregressive VLM into a same-architecture, decoding-efficient dVLM. Our approach combines progressive supervised block merging, which gradually enlarges the decoding block size, with stage-wise intra-dVLM distillation from a fixed small-block diffusion anchor to recover performance lost at larger blocks. We further incorporate a mixed noise scheduler to improve robustness and token revision during denoising, and memory-friendly training to enable efficient training on long multimodal sequences. A key empirical finding is that direct autoregressive-to-diffusion distillation is poorly aligned and can even hurt performance, whereas distillation within the diffusion regime is consistently effective. Experimental results show that, with $\leq$ 4.4M data, BARD-VL transfers strong multimodal capability from Qwen3-VL to a large-block dVLM. Remarkably, BARD-VL establishes a new SOTA among comparable-scale open dVLMs on our evaluation suite at both 4B and 8B scales. At the same time, BARD-VL achieves up to 3$\times$ decoding throughput speedup compared to the source model. Code is available at https://github.com/fudan-generative-vision/Bard-VL.
Authors: Liyin Chen, Nazlee Zebardast, Mengyu Wang, Tobias Elze, Jason I. Comander
Abstract: Predicting disease progression from longitudinal imaging is useful for clinical decision making and trial design. Recent methods have moved toward increasing generative complexity, but the conditions under which this complexity is necessary remain unclear. We propose that generative complexity should match the entropy of the predictable component of a task's conditional posterior, with training-inference input alignment required in all regimes. Two model-light measurements, a task-entropy analysis on raw image pairs and a posterior-concentration analysis on a stochastic model, let practitioners assess the complexity a task warrants before committing to a modeling framework. We validated this framework on a fundus autofluorescence (FAF) dataset by contrasting five conditioning configurations, sharing one architecture and training set, spanning standard conditional diffusion, inference-aligned stochastic training, and deterministic regression. Training-inference alignment produced large gains (delta-SSIM +0.082, SSIM +0.086, both p < 0.001), while the choice among aligned frameworks produced no clinically meaningful difference across evaluated metrics. Across two FAF platforms, inter-visit change was dominated by time-invariant acquisition variability rather than disease progression, and the stochastic models' posteriors collapsed to an effective point, explaining the framework equivalence. We trained a deterministic Temporal Retinal U-Net (TRU) and evaluated it on 28,899 eyes across three manufacturers and two modalities (two FAF platforms and en-face SLO), with three independent cohorts evaluated zero-shot. TRU matched or exceeded three published baselines on delta-SSIM, SSIM, and PSNR. These findings show that when disease progression is slow compared with acquisition variability, a deterministic regression model matches or outperforms more complex stochastic alternatives.
Authors: Tianbao Zhang
Abstract: Large Language Models produce a controllability gap in safety-critical engineering: even low rates of undetected constraint violations render a system undeployable. Current orchestration paradigms suffer from sycophantic compliance, context attention decay, and stochastic oscillation during self-correction. We introduce the Convergent AI Agent Framework (CAAF), which transitions agentic workflows from open-loop generation to closed-loop fail-safe determinism via three pillars: (1) Recursive Atomic Decomposition with physical context firewalls; (2) Harness as an Asset, formalizing domain invariants into machine-readable registries enforced by a deterministic Unified Assertion Interface; and (3) Structured Semantic Gradients with State Locking for monotonic non-regression. This paper makes two core claims. First, an industrialization thesis: once domain invariants are formalized as an executable Harness, the Harness itself becomes a first-class enterprise asset that compounds in value as foundation models commoditize, and CAAF's ability to deliver its reliability on commodity-tier models makes fully self-hosted, on-premises deployment architecturally feasible for regulated sectors where cloud APIs are not an option. Second, an architectural claim supported by ablation: CAAF's three pillars address complementary failure surfaces and none alone closes the controllability gap at commodity cost. The paper contributes entirely at the orchestration and industrialization layer. Evidence across two complementary benchmarks, three-tier UAI ablations, multi-agent baselines, and a closed-source commodity family replicated by two independent open-weight families, is reported in the body.
Authors: Yilong Dai, Yiming Sun, Yiheng Chen, Shengyu Chen, Xiaowei Jia, Runlong Yu
Abstract: Accurate autoregressive prediction of 3D turbulent flows remains challenging for neural PDE solvers, as small errors in fine-scale structures can accumulate rapidly over rollout. In this paper, we propose FlowRefiner, a flow matching-based iterative refinement framework for 3D turbulent flow simulation. The method replaces stochastic denoising refinement with deterministic ODE-based correction, uses a unified velocity-field regression objective across all refinement stages, and introduces a decoupled sigma schedule that fixes the noise range independently of refinement depth. These design choices yield stable and effective refinement in the small-noise regime. Experiments on large-scale 3D turbulence with rich multi-scale structures show that FlowRefiner achieves state-of-the-art autoregressive prediction accuracy and strong physical consistency. Although developed for turbulent flow simulation, the proposed framework is broadly applicable to iterative refinement problems in scientific modeling.
Authors: Hiroki Fujii, Masaki Yamakita
Abstract: Selective State Space Models (SSMs), notably Mamba, employ diagonal state transitions that limit both memory retention and bilinear computational capacity. We propose a factorized bilinear input modulation that augments the SSM with a state-input product, interpretable as a finite-dimensional Koopman bilinear form. After introducing a shared state across channels (Coupled SSM), the modulation admits three implementations. Coupled Bilinear Input Modulation (seq-BIM) retains the full bilinear product on the input side at the cost of sequential computation, Coupled Gated Modulation (GM) linearizes it into a gate modulation that is compatible with the parallel scan, and Parallel Bilinear Input Modulation (p-BIM) places the same bilinear product on the state transition while remaining parallel-scannable. Experiments on a multiple input-delay pendulum (memory retention) and NARMA-10 (bilinear computation) reveal a clear dissociation. GM substantially improves memory retention but not bilinear computation, while both seq-BIM and p-BIM improve both. A pathway ablation confirms that the two downstream routes of the bilinear signal serve complementary roles. The improvement is statistically robust, with the bilinear variants consistently outperforming the other variants on bilinear computation. Furthermore, only the bilinear variants benefit from increasing the SSM state dimension, while coupling or gate modulation alone show no improvement, establishing the bilinear mechanism as uniquely capable of exploiting larger state spaces.
Authors: Hafiza Syeda Yusra Tirmizi, Syed Ibad Hasnain, Muhammad Faris, Rabail Khowaja, Saad Abdullah
Abstract: Alzheimer disease (AD) is a neurodegenerative disease that lacks specific treatment options. Natural drugs have displayed neuroprotective effects; however, their high-throughput discovery is challenging because of the expense of experimental testing.The study proposed a machine learning approach to identify the anti-dementia activity of natural compounds based on molecular descriptors obtained from cheminformatics. The study used a set of active and inactive compounds obtained from public databases like ChEMBL and PubChem. Various molecular descriptors, including molecular weight, lipophilicity (LogP), topological polar surface area (TPSA), and hydrogen bonding descriptors, were calculated with RDKit. Data preprocessing and feature selection were applied, followed by the development of several classification models (Random Forest, XGBoost, Support Vector Machines, Logistic Regression) and their evaluation based on accuracy, precision, recall, F1-score and ROC-AUC. The outcome suggests that ensemble techniques, such as Random Forest, delivered the best predictive accuracy and ROC-AUC values. This study also highlights that critical physicochemical descriptors in particular lipophilicity, molecular weight and polarity are important in driving neuroprotective activity as identified by feature importance analysis. The integrated machine learning approach shows the potential of combining natural product research and machine learning in early drug discovery for dementia. They provide a means of rapidly exploring large datasets and selecting candidates for experimental confirmation, thus minimising costs and time in the development of drugs for neurodegenerative diseases.
Authors: Frederic Wang, Katherine L. Bouman
Abstract: While diffusion priors generate high-quality posterior samples across many inverse problems, they are often trained on limited training sets or purely simulated data, thus inheriting the errors and biases of these underlying sources. Current approaches to finetuning diffusion models rely on a large number of observations with varying forward operators, which can be difficult to collect for many applications, and thus lead to overfitting when the measurement set is small. We propose a method for tuning a prior from only a single observation by combining existing diffusion priors into a single product-of-experts prior and identifying the exponents that maximize the Bayesian evidence. We validate our method on real-world inverse problems, including black hole imaging, where the true prior is unknown a priori, and image deblurring with text-conditioned priors. We find that the evidence is often maximized by priors that extend beyond those trained on a single dataset. By generalizing the prior through exponent weighting, our approach enables posterior sampling from both tempered and combined diffusion models, yielding more flexible priors that improve the trustworthiness of the resulting posterior image distribution.
Authors: Zhiqiu Lin, Chancharik Mitra, Siyuan Cen, Isaac Li, Yuhan Huang, Yu Tong Tiffany Ling, Hewei Wang, Irene Pi, Shihang Zhu, Ryan Rao, George Liu, Jiaxi Li, Ruojin Li, Yili Han, Yilun Du, Deva Ramanan
Abstract: Video-language models (VLMs) learn to reason about the dynamic visual world through natural language. We introduce a suite of open datasets, benchmarks, and recipes for scalable oversight that enable precise video captioning. First, we define a structured specification for describing subjects, scenes, motion, spatial, and camera dynamics, grounded by hundreds of carefully defined visual primitives developed with professional video creators such as filmmakers. Next, to curate high-quality captions, we introduce CHAI (Critique-based Human-AI Oversight), a framework where trained experts critique and revise model-generated pre-captions into improved post-captions. This division of labor improves annotation accuracy and efficiency by offloading text generation to models, allowing humans to better focus on verification. Additionally, these critiques and preferences between pre- and post-captions provide rich supervision for improving open-source models (Qwen3-VL) on caption generation, reward modeling, and critique generation through SFT, DPO, and inference-time scaling. Our ablations show that critique quality in precision, recall, and constructiveness, ensured by our oversight framework, directly governs downstream performance. With modest expert supervision, the resulting model outperforms closed-source models such as Gemini-3.1-Pro. Finally, we apply our approach to re-caption large-scale professional videos (e.g., films, commercials, games) and fine-tune video generation models such as Wan to better follow detailed prompts of up to 400 words, achieving finer control over cinematography including camera motion, angle, lens, focus, point of view, and framing. Our results show that precise specification and human-AI oversight are key to professional-level video understanding and generation. Data and code are available on our project page: https://linzhiqiu.github.io/papers/chai/
Authors: Wenxuan Bao, Yanjun Zhao, Xiyuan Yang, Jingrui He
Abstract: Pretrained vision-language models such as CLIP exhibit strong zero-shot generalization but remain sensitive to distribution shifts. Test-time adaptation adapts models during inference without access to source data or target labels, offering a practical way to handle such shifts. However, existing methods typically assume that test samples come from a single, consistent domain, while in practice, test data often include samples from mixed domains with distinct characteristics. Consequently, their performance degrades under mixed-domain settings. To address this, we present Ramen, a framework for robust test-time adaptation through active sample selection. For each incoming test sample, Ramen retrieves a customized batch of relevant samples from previously seen data based on two criteria: domain consistency, which ensures that adaptation focuses on data from similar domains, and prediction balance, which mitigates adaptation bias caused by skewed predictions. To improve efficiency, Ramen employs an embedding-gradient cache that stores the embeddings and sample-level gradients of past test images. The stored embeddings are used to retrieve relevant samples, and the corresponding gradients are aggregated for model updates, eliminating the need for any additional forward or backward passes. Our theoretical analysis provides insight into why the proposed adaptation mechanism is effective under mixed-domain shifts. Experiments on multiple image corruption and domain-shift benchmarks demonstrate that Ramen achieves strong and consistent performance, offering robust and efficient adaptation in complex mixed-domain scenarios. Our code is available at https://github.com/baowenxuan/Ramen .
Authors: Jian Ni, Lecheng Zheng, John R Birge
Abstract: Competing firms that serve shared customer populations face a fundamental information aggregation problem: each firm holds fragmented signals about risky customers, but individual incentives impede efficient collective detection. We develop a mechanism design framework for decentralized risk analytics, grounded in anti-money laundering in banking networks. Three strategic frictions distinguish our setting: compliance moral hazard, adversarial adaptation, and information destruction through intervention. A temporal value assignment (TVA) mechanism, which credits institutions using a strictly proper scoring rule on discounted verified outcomes, implements truthful reporting as a Bayes--Nash equilibrium (uniquely optimal at each edge) in large federations. Embedding TVA in a banking competition model, we show competitive pressure amplifies compliance moral hazard and poorly designed mandates can reduce welfare below autarky, a ``backfiring'' result with direct policy implications. In simulation using a synthetic AML benchmark, TVA achieves substantially higher welfare than autarky or mandated sharing without incentive design.