Authors: Yiran Pang, Zhen Ni, Xiangnan Zhong
Abstract: Federated reinforcement learning (FedRL) enables multiple agents to collaboratively train a global policy without sharing raw data, making it ideal for privacy-sensitive applications. However, FedRL faces challenges in heterogeneous environments where differing state-transition dynamics lead to non-identical input distributions and imbalanced parameter updates during aggregation. Therefore, this paper develops a personalized observation normalization (PON) method, allowing each agent to locally normalize raw state inputs using a continuously updated running mean and variance. This design ensures consistent scaling of local feature without overshadowing across agents during aggregation. Furthermore, we demonstrate that sharing normalization parameters across agents is ineffective due to the diverse local input distributions, which highlights the necessity of personalized statistics. Experiments on heterogeneous MuJoCo tasks show that our developed PON accelerates training and achieves superior performance compared to baseline methods.
Authors: Mingchun Sun, Rongqiang Zhao, Muhammad Abdul Munnaf, Jie Liu
Abstract: In wireless sensor networks (WSNs), data augmentation is a novel method to improve sampling-frequency decision performance, thereby enabling energy optimization for IoT (Internet of Things) sensors. However, existing methods rely on a single generator and empirically determined quantities, failing to establish a mapping between dynamic information gaps and multiple generators, and overlooking the heterogeneity of generated samples. Moreover, an evaluation and a closed-loop method that jointly considers the information gap and the model performance are lacking. To address these issues, we propose an information gap-guided IoT sensor automatic data augmentation framework (IGADA-IoT) with hierarchical multi-generator collaboration and scheduling over multiple rounds. Capabilities of different generators are jointly utilized to reduce the information gaps. In the IGADA-IoT, a hierarchical multi-generator collaboration and scheduling strategy (HMGCS) is proposed to enhance the targetedness and rationality of generated sample allocation. An information gap-model performance joint evaluation and closed-loop method (IGMP-EC) is proposed to enhance the accuracy of augmentation decisions, and to mitigate the risks of under-augmentation and over-augmentation. Experimental results show that the IGADA-IoT improves the average accuracy of multiple downstream models by 7.27%. Compared with advanced data augmentation methods, the average accuracy is improved by 8.67%. Compared with the individual generators, the average accuracy is improved by 7.24%. Furthermore, public IoT sensor datasets from the UCR Archive and real-world deployments demonstrate the accuracy and generalizability of the proposed method.
Authors: Hassan Saadatmand, Geoffrey I. Webb, Hamid Rezatofighi, Mahsa Salehi
Abstract: Structured state space models (SSMs) have recently emerged as a promising foundation for sequence modeling, with Mamba-based architectures demonstrating strong performance through input-dependent state transitions, albeit at considerable complexity. However, their application to time-series classification (TSC) has been largely limited to Mamba-style architectures, leaving the broader SSM design space underexplored. We present the first systematic study spanning diagonal SSMs (S4D) and input-dependent SSMs (Mamba family) on large-scale TSC benchmarks, asking whether such complexity is necessary for top performance. Our results reveal a surprising finding: S4D consistently outperforms Mamba-based variants in both accuracy and efficiency, challenging the assumption that increased complexity translates to meaningful gains in TSC. Building on this, we introduce MS4, lightweight modifications to S4D via a linear input projection and channel-mixing mechanism, and MS4N, a normalized variant that stabilizes state dynamics with negligible overhead. Evaluated on 59 datasets across MONSTER (up to 60 million samples, 50K timesteps, 82 classes) and the UEA benchmark, against 15 baselines, MS4 and MS4N consistently outperform Mamba-based models while remaining more efficient, and MS4N matches or surpasses competing deep learning models that are roughly 2x and 10x larger in parameters. These results position lightweight structured SSMs as a compelling alternative to scaling complexity for TSC.
Authors: Rui Bao, Yaping Sun, Zhiyong Chen, Feng Yang, Meixia Tao, Nan Li, Wenjun Zhang
Abstract: Edge deployments of generative inference increasingly face two practical realities: per-device per-model performance is often unknown at deployment time, and it is non-stationary due to user-driven semantic events, background load, and device churn. Consequently, a resource manager that is tuned offline under a fixed regime can become brittle and expensive to maintain. This paper presents $E^3$-Agent, an executable and evolving agent for edge artificial intelligence generated content (AIGC) resource management. $E^3$-Agent separates a fast-path router that makes millisecond-level dispatch decisions from a slow-path, event-driven large language model (LLM) meta-controller that mitigates regime shifts through a small, explicit control surface exposed via a tool interface, including risk gating, router configuration, and rapid performance calibration. The agent learns online from execution feedback and continuously adapts to unknown and time-varying service-time mappings. We evaluate $E^3$-Agent in a discrete-event simulator driven by MLPerf-derived device-model measurement priors, covering cold-start warmup and three dynamic regimes: semantic dynamics, device churn, and hidden drift. Across the dynamic scenarios, $E^3$-Agent reduces average latency by 65%-73% compared to the best static baseline, stays within 7%-10% of an online full-information Oracle used for evaluation, and effectively suppresses stutter rate under semantic degradation.
Authors: Liangwei Nathan Zheng, Wei Emma Zhang, Olaf Maennel, Lin Yue, Weitong Chen
Abstract: Mixture-of-Experts (MoE) presents a naturally compatible and scalable framework for multimodal learning, demonstrating strong adaptability across diverse modalities and tasks. Despite its growing success, a comprehensive and systematic review on the MoE metho addressing multimodal challenges remains lacking. Existing surveys tend to evaluate either multimodal learning or MoE independently from method taxonomy, overlooking the unique interplay between them. This survey fills that gap by answering a central question: \textit{How does MoE effectively resolve multimodal challenges?} We approach this from three key perspectives: (1) \textbf{MoE as an Efficient Multimodal Engine:} enabling scalable multimodal modeling by decoupling computational cost from parameter growth and mitigating modality redundancy through selective expert activation; (2) \textbf{MoE as a Multimodal Representation Learner:} integrating complementary multi-opinion expert knowledge to enrich alignment and interaction representations; and (3) \textbf{MoE as a Multimodal Adapter:} providing a modular and flexible mechanism to model imperfect data scenarios such as modality imbalance and missing modality. Through our extensive literature review, we identify critical research gaps, including interpretable routing, expert communication, modality integration, and lifelong multimodal learning. We position this survey as a foundation for future research toward interpretable and sustainable multimodal Mixture-of-Experts system.
Authors: Michael Leznik
Abstract: Geometric deep learning organises neural architectures around the symmetries of their data domain, with the choice of symmetry group serving as a geometric prior that determines what representations can be learned. Metric-Aware Principal Component Analysis (MAPCA) parameterises principal component analysis by a positive-definite metric matrix, with a canonical subfamily interpolating between standard PCA and output whitening and a diagonal-metric point recovering Invariant PCA (IPCA). This paper positions MAPCA within the geometric deep learning framework. The metric is read as the geometric prior; the orthogonal group preserving it is the symmetry group it induces; MAPCA solutions are equivariant under this group with the resulting spectrum invariant; and MAPCA's defining constraint is the linear analogue of the Schur-type weight constraints used in equivariant networks. Across six axes - domain, symmetry group, equivariance, invariance, architectural primitive, and geometric prior - we construct a precise dictionary between MAPCA and geometric deep learning. The technical anchor is a uniqueness theorem characterising IPCA as the unique linear data-derived metric in the MAPCA family that is equivariant under arbitrary diagonal rescaling and projects onto the fixed-point set of the action, equivalent under normalisation to the variance-maximisation criterion in its precise form. The paper closes with three bridges: kernel PCA as the nonlinear extension, spectral graph methods as MAPCA on graphs, and a deep MAPCA construction extending the positioning into deep equivariant networks
Authors: Ye Kyaw Thu, Thazin Myint Oo, Thepchai Supnithi
Abstract: Traditional Recurrent Neural Networks (RNNs) and Long Short-Term Memory (LSTM) units operate on discrete time steps, often failing to capture the fluid temporal dynamics of real-world physical processes. Liquid Neural Networks (LNNs), specifically Closed-form Continuous-time (CfC) networks, address this by modeling the hidden state evolution as a continuous differential equation. In this paper, we conduct a comprehensive benchmarking study across four distinct sequential modalities: neuromorphic event-based data (N-MNIST), stroke-based drawing (QuickDraw), visual handwriting (IAM), and physiological time-series (PhysioNet Sepsis-3). Furthermore, we perform a rigorous stress test using temporal dropout to evaluate model robustness against missing data. Our findings reveal that LNNs consistently provide superior parameter efficiency and significantly higher robustness in natively temporal domains and clinical environments where data sparsity is prevalent. This extended preprint provides additional background on related datasets and the LNN theoretical lineage, supplemented with a detailed appendix documenting our full implementation and experimental settings.
Authors: Zhong Ye, Yu Hu, Ruilin Tang
Abstract: Continual Learning (CL) is a practical paradigm to utilize power of deep pre-trained neural networks, but which pre-trained model has a better ability to balance ``Plasticity-Stability", deserving to be chosen? The logit shift serves as a natural proxy because it represents the logit shift in CL scenarios. However, obtaining the logit shift requires huge computational cost, which hinders large-scale model selection. Existing theoretical analyses fail to offer an efficient alternative because of the assumption of uniform hidden layer widths, which ignores the structural heterogeneity (variable width and depth) of real-world architectures. This raises a critical question: what theoretically relationship can be identified between heterogeneous architecture and logit shift on prior tasks (that the model has been trained on)? To answer the question, we decouple logit shift into architecture dependency and data dependency to establish our framework, which reveals that the combination of two dependency, defined as Architecture-driven Shift (ADS), that can capture the logit shift tendency well computable with few data samples. Specifically, for a well-optimized model on prior tasks, higher ADS is associated with a larger logit shift after training on the current task, which derived based on three mechanistic components: (1) spectral norm scaling of weight matrix gradients with layer width, (2) the optimization path length of the new task, and (3) the asymptotic task conflict in wide networks. Extensive empirical results across more than 175 diverse architectures demonstrate a strong monotonic correlation (the weakest Spearman's $r_s=0.731$) between ADS and logit shift. Practically, we demonstrate that ADS can serve as a lightweight proxy of the expected calibration error, which is a widely used metric for reliable CL model selection, on three datasets across six scenarios.
Authors: Tairan Huang, Qiang Chen, Yili Wang, Yueyue Ma, Changlong He, Xiu Su, Yi Chen
Abstract: Graph anomaly detection aims to identify anomaly nodes in attributed graphs and plays an important role in real-world applications. However, existing graph anomaly detection methods still face two key challenges: 1) fixed pipelines, which restrict their adaptability across different graph tasks under limited supervision; 2) weak evidence, which prevents them from explicitly incorporating contextual and structural anomaly signals into the detection process. In this paper, we propose a novel framework, self-designing agentic workflows for few-shot graph anomaly detection (SignGAD). Specifically, we propose a novel paradigm that reformulates graph anomaly detection task from training a fixed anomaly detector to designing task-conditioned detection workflows. By constructing detection workflows, SignGAD selects suitable graph encodings and detector designs to exploit task-specific anomaly evidence. Meanwhile, we introduce a guarded final refit strategy to refine the selected workflow by calibrating refit acceptance, enhancing reliability under limited supervision. Extensive experiments conducted on several real-world datasets demonstrate that SignGAD achieves strong performance against state-of-the-art methods, highlighting its effectiveness on graph anomaly detection tasks.
Authors: Mohamed Amine Legheraba (NPA), Stefan Galkiewicz (NPA), Maria Gradinariu Potop-Butucaru (NPA), S\'ebastien Tixeuil (NPA, IUF, LINCS)
Abstract: Decentralized learning enhances privacy, scalability, and fault tolerance by distributing data and computation across nodes. A popular approach is Federated learning, which relies on a central aggregator, yet faces challenges such as server vulnerabilities, scalability issues, privacy risks and most importantly, the single point of failure. Alternatively Gossip Learning and Epidemic Learning offer fully decentralization through peer-to-peer exchanges of model updates, ensuring robustness and privacy, at the price of slower model convergence. In this work, we introduce a novel decentralized learning framework called HEAL. HEAL is the first cross-layer decentralized learning framework that exploits an optimized self-organizing and self-healing underlying P2P overlay combining the strengths of Federated Learning, Gossip and Epidemic Learning. Leveraging the recently proposed Elevator algorithm, HEAL promotes dynamically chosen nodes to act as aggregators. Through simulations, we demonstrate that HEAL has similar performances to that of Federated Learning in crash-free settings, while being fully decentralized and fault-tolerant. In crash and churn prone environments HEAL outperforms Gossip and Epidemic Learning.
Authors: Hyunmin Cho, Woo Kyoung Han, Kyong Hwan Jin
Abstract: We characterize the pre-softmax attention matrix $\mathbf{QK^\top}$ in transformers as an associative memory matrix encoding pairwise associations between input features. By decomposing this matrix into its symmetric and skew-symmetric parts, we interpret the symmetric component as governing the structure of the energy landscape, and the skew-symmetric component as driving circulation on that landscape. Leveraging the energy formulation induced by the symmetric component, we derive Hopfield-style stability measures that quantify the stability of retrieved features. We observe meaningful correlations between Hopfield-style stability measures and the fidelity-diversity trade-offs in generation. Finally, we propose a controllable knob to modulate this trade-off by modifying the circulation of the underlying dynamics. Code is available at our GitHub (https://github.com/hyeon-cho/Attention-Symmetric-Decomposition).
URLs: https://github.com/hyeon-cho/Attention-Symmetric-Decomposition).
Authors: Kosmas Pinitas, Konstantinos Katsifis
Abstract: Affective computing systems are increasingly embedded in pervasive and interactive environments, such as adaptive games, assistive technologies, and resource-constrained platforms, where computational efficiency must be balanced with reliability across diverse users. Model pruning offers an effective way to reduce computational demands, yet existing approaches typically optimise for sparsity alone, without accounting for how parameter removal impacts robustness across individuals. In this work, we introduce Variance-Regularised Pruning (VR), a pruning framework that explicitly incorporates cross-participant stability into the sparsification process. Rather than relying solely on average prediction error, VR evaluates each connection based on its joint contribution to both prediction accuracy and variability across users, prioritising parameters that remain reliable under distributional differences. We evaluate the proposed approach on the AGAIN dataset, which includes arousal annotations collected across nine affect-eliciting game environments. Experimental results demonstrate that VR maintains competitive Concordance Correlation Coefficient (CCC) performance even at 80\% sparsity without additional fine-tuning, highlighting its suitability for deployment in real-world, resource-limited affect-aware systems. Overall, the proposed framework supports the development of compact, robust affective models that can operate reliably in real-world interactive environments.
Authors: Longhua Li, Lei Qi, Qi Tian, Xin Geng
Abstract: While orthogonal subspace methods try to mitigate task interference in Continual Learning (CL), they often suffer from energy diffusion across the basis, hindering knowledge compaction and exhausting capacity for future tasks. We observe that output feature drift induced by parameter updates is inherently low-rank, and theoretically prove that preserving parameters along the principal directions of this drift minimizes the output reconstruction error. Motivated by this, we propose \textbf{E}nergy-Concentrated and \textbf{E}nergy-Ordered \textbf{Lo}w-\textbf{R}ank \textbf{A}daptation (E$^2$-LoRA). By explicitly ordering and concentrating knowledge into leading ranks, E$^2$-LoRA frees capacity for subsequent tasks. Furthermore, we design a dynamic rank allocation strategy to balance stability and plasticity by jointly optimizing energy retention and model plasticity. Extensive experiments across multiple benchmarks demonstrate that E$^2$-LoRA achieves state-of-the-art performance.
Authors: Khayyam Nosrati, Martin Uray, Saverio Messineo, Olaf Sassnick, Stefan Huber
Abstract: Federated learning (FL) has broadened the horizon for multivariate time series anomaly detection (MTSAD). However, benchmarking such anomaly detection methods within FL paradigm poses data-centric challenges. The existing datasets do not counteract these challenges since they do not simultaneously provide sufficient scale, accurate labels, and freedom from common flaws. In addition, the role of cyclic process behavior, which is common in discrete industrial automation, remains underexplored for MTSAD for the current state of research. This paper aims to shed more light on the literature and address these gaps by introducing a dataset designed with cyclic dynamics arising from the repetitive nature of discrete automation processes and evaluates selected MTSAD methods on both the proposed dataset and a public benchmark dataset.
Authors: Aurelio Amerio
Abstract: Flow and diffusion generative models have established themselves as widely adopted density estimators for simulation-based inference (SBI), extending naturally from neural posterior estimation to likelihood and joint density estimation. Their principled optimization objectives and freedom from architectural constraints have driven rapid adoption across the natural sciences. Yet the most widely used SBI libraries remain PyTorch-based, leaving researchers who develop their forward models and analysis pipelines in JAX without a native option. We present GenSBI, an open-source library that implements flow matching, score matching, and denoising diffusion entirely in JAX. The library offers three transformer-based architectures - SimFormer, Flux1, and a novel Flux1Joint that extends gate-modulated transformer blocks to joint density estimation - all interchangeable through a unified interface that decouples generative method, neural backbone, and inference mode. GenSBI provides an end-to-end workflow from training through posterior calibration (SBC, TARP, LC2ST) and supports custom architectures with domain-specific embedding networks. We validate the framework on standard SBI benchmarks, achieving near-ideal mean C2ST scores (0.50-0.56, where 0.50 is ideal) on SBIBM tasks with minimal per-task tuning and well-calibrated posterior coverage across all tested configurations. The code is publicly available at https://github.com/aurelio-amerio/GenSBI.
Authors: Mohammed Adnan, Rohan Jain, Tom Jacobs, Ekansh Sharma, Rahul G. Krishnan, Rebekka Burkholz, Yani Ioannou
Abstract: Dynamic Sparse Training (DST) methods train neural networks by maintaining sparsity while dynamically adapting the network topology. Despite the promise of reduced computation, DST methods converge significantly slower than dense training, often requiring comparable training time to achieve similar accuracy. We demonstrate both analytically and empirically that Batch Normalization (BN) adversely affects sparse training, and propose SparseOpt, a sparsity-aware optimizer, to address this. Experiments on ResNet models across CIFAR-100 and ImageNet demonstrate consistently faster convergence and improved generalization with our proposed method. Our work highlights the limitations of current normalization layers in sparse training and provides the first systematic study of the interaction between Batch Normalization, sparse layers, and DST, taking a significant step toward making DST practically competitive with dense training.
Authors: Gaurav Dhama
Abstract: Card payment fraud detection is usually framed as a supervised classification problem. Although this approach has generated practical progress, improvement has remained incremental despite major advances in model architecture. We argue that this is not mainly a failure of function approximation or optimization, but a consequence of structural information impairments inherent to the payment ecosystem. We formalize card authorization as a sequential decision problem with delayed, censored, corrupted, and counterfactually missing feedback. We derive a minimax regret lower bound showing that these impairments enter multiplicatively in the denominator of the achievable learning rate. The bound implies that improving issuer reporting quality or reducing censorship can yield larger reductions in the regret floor than increasing model complexity. We also show that heterogeneity across issuers worsens learnability beyond what average impairment rates suggest. The paper contributes a theory of why fraud detection in payment networks is fundamentally harder than in standard online learning settings, identifies ecosystem information quality as the key bottleneck, and provides a theoretical basis for prioritizing investments in reporting infrastructure, dispute process quality, and selective exploration. The paper is theory-first and does not rely on proprietary transaction data.
Authors: Phu X. Nguyen, Konstantinos Kontras, Wei Dai, Huy Phan, Christos Chatzichristos, Paul Pu Liang, Bert Vandenberk, Maarten De Vos
Abstract: Electrocardiograms (ECGs) are widely used non-invasive measurements of cardiac activity and play a central role in clinical diagnosis. Recent multimodal approaches align ECG signals with clinical reports to incorporate diagnostic semantics, but clinical reports often fail to preserve the rich physiological structure of ECG waveforms, particularly across multiple levels of abstraction ranging from coarse diagnostic categories to fine-grained morphology. To address this limitation, we formulate ECG representation learning from an information-theoretic perspective and derive a tractable objective that jointly preserves signal structure and integrates clinical semantics. Based on this principle, we propose \textbf{MERIT} (Multimodal ECG Representation via Information Theory), a dual-branch pretraining framework combining masked ECG modeling with ECG--text contrastive alignment. Extensive experiments on PTB-XL and additional benchmarks demonstrate consistent improvements over prior methods, including gains exceeding $3%$ F1 on PTB-XL All and $5%$ F1 on SubClass classification. In zero-shot evaluation, MERIT further improves performance by up to $ +2.66\%$ AUC and $ +2.11\%$ F1 on PTB-XL SubClass, while also demonstrating robustness under multiple distribution-shift settings. Moreover, leveraging the learned ECG representations for ECG-conditioned clinical text generation with large language models improves text quality across several metrics, including ROUGE and METEOR. Together, these results demonstrate that MERIT learns more informative and clinically meaningful ECG representations, particularly for fine-grained clinical applications.
Authors: Binh-Nguyen Nguyen, Khang Tran, NhatHai Phan, Issa Khalil
Abstract: Many organizations lack computational resources to fine-tune large language models (LLMs) on private (unshareable) data for better utility, while fine-tuning tiny language models (TinyLMs) alone performs poorly. To address this bottleneck, we propose a data-free knowledge distillation framework that generates LLM update vectors based on TinyLMs fine-tuned on private data. An update vector is a vector of parameter changes from an initial model to its fine-tuned version on a dataset, capturing the effect of cumulative gradient steps during fine-tuning. The key idea of our framework is a novel Gradient Transformer that transforms TinyLM's update vectors into LLM's update vectors. As derived from shadow datasets, Grad-Transformer captures the correlation between TinyLM and LLM update vectors, enabling third-party providers to generate LLM update vectors given the organization's TinyLM update vectors without accessing the organization's private data. The framework supports multi-organization collaboration to jointly update LLMs, improving performance and cost-efficiency. Extensive experiments across language modeling and reasoning tasks show that Grad-Transformer remarkably outperforms state-of-the-art knowledge distillation baselines, even under strict differential privacy protection.
Authors: Deepak Panigrahy, Aakash Tyagi
Abstract: Agentic AI workloads - where a single user goal triggers multi-step orchestration, tool calls, retries, and failure recovery - are being targeted for edge deployment, with NVIDIA, Dell, HP, ASUS, MSI, Acer, and Gigabyte all shipping GB10-based desktop AI systems in 2026. We recently demonstrated that orchestration structure dominates agentic energy cost, with workflows consuming 4.33x more energy per successful goal than linear baselines and OOI reaching 7.63x for multi-step reasoning tasks. Separately, Rajat et al. show that CPU-side processing accounts for up to 90.6% of total latency and 44% of total dynamic energy in agentic workloads. We report a systematic energy-observability audit of the ASUS Ascent GX10 (GB10 SoC) and find that the platform exposes no CPU energy counter, no INA power-rail monitor, no IPMI/BMC, and no SCMI powercap protocol through any supported software interface. The only on-device energy telemetry is instantaneous GPU power via NVML. We further discover that the MediaTek firmware already computes per-rail energy internally via an undocumented ACPI interface (SPBM), but NVIDIA states there are "no plans to expose CPU rail information." On-device per-process energy attribution - as performed on x86 via RAPL - is therefore not reproducible on this platform through supported interfaces. We formalize a hardware requirements specification for energy-attributed AI, propose an interim calibration bridge using external DC metering combined with GPU subtraction, and identify a standards-track path via SCMI powercap. Our findings motivate the low-carbon computing community to demand energy observability as a first-class hardware requirement.
Authors: Tom\'as Pereira, Jo\~ao Vitorino, Eva Maia, Isabel Pra\c{c}a
Abstract: Despite the wide use of explainability techniques to attempt to understand the behavior of Artificial Intelligence (AI), the generated explanations may not always be reliable. An explanation can appear plausible to humans but fail to capture the internal reasoning of a model, particularly when dealing with complex tabular data. This paper studies the trustworthiness of local explainability techniques when applied to complex tabular classification tasks, considering evaluated metrics for three main properties: faithfulness to the model's predictions, robustness to input data variations, and complexity of the explanation itself. A benchmark was performed for Local Interpretable Model-Agnostic Explanations (LIME), Kernel SHapley Additive exPlanations (SHAP), and Feature Ablation techniques, across 32 datasets and different types of machine learning models. Model performance ranges were analyzed to identify two groups: consensus-correct, which are samples that all models predicted correctly, and consensus-wrong, samples that all models predicted incorrectly. The obtained results demonstrate that that the explanations are not always correlated with a model's predictive performance. Instead, dataset complexity and feature distributions seem to be the main factors affecting explanation quality and reliability.
Authors: Sai-Aakash Ramesh, Archit Sood, Andrew Corbett, Tim Dodwell
Abstract: Learning representations that capture both intrinsic data geometry and target-relevant structure remains a fundamental challenge, particularly in settings where data reduction must balance compression with predictive fidelity. While distributional reduction-encompassing joint clustering and dimensionality reduction-offers a principled way to summarize data, its supervised variants remain relatively under-explored, despite the importance of retaining task-relevant signal for downstream prediction and decision-making. We propose Supervised Distributional Reduction (SDR), an algorithm for learning target-aware representations by combining optimal transport with explicit dependence maximization. SDR builds on the Fused Gromov-Wasserstein (FGW) objective to align the relational structure of the input distribution with a set of representative points, while augmenting it with a direct dependence term that encourages the learned embeddings to capture predictive signal more explicitly. This results in compact representations that reflect both geometric structure and supervision. Beyond representation learning, SDR naturally induces a data-dependent, non-stationary geometry that can be leveraged for settings such as Gaussian Process (GP) modelling. By redefining distances through target-aware distributional alignment, SDR enables the construction of adaptive kernels that respond to local variations in both data geometry and supervision, offering an optimal transport-based perspective on non-stationary kernel design.
Authors: Kabir Swain, Sijie Han, Daniel Karl I. Weidele, Mauro Martino, David Cox, Antonio Torralba
Abstract: We propose \textbf{Hurwitz Quaternion Multiplicative Quantization (HQMQ)}, a \textbf{calibration-free} method for KV cache compression of large language models. HQMQ treats each 4-element chunk of K or V as a quaternion and quantizes its unit direction to the \emph{product} $q_p \cdot q_s$, where $q_p$ ranges over the 24-element Hurwitz group $2T$ (the 24 vertices of the 24-cell on $S^3$, pairwise angle $60^\circ$) and $q_s$ ranges over a per-(layer, head) secondary codebook of $S$ \emph{random} unit quaternions. The multiplicative composition yields $24S$ effective codewords at $S$ stored parameters; random initialization suffices because left-multiplication is an $S^3$ isometry, so seeded codebooks vary in end-task ppl by $<1.5\%$. A per-batch median-multiplier outlier extraction step ($C{=}3$, no calibration) handles modern outlier-heavy architectures. We evaluate on five modern open models: Mistral-7B (dense MHA), Llama-3-8B and Qwen2.5-7B and Qwen3-8B (dense GQA), and gpt-oss-20b (sparse MoE). On Mistral-7B and Qwen3-8B, HQMQ matches fp16 within $0.02$--$0.03$ ppl points at $\sim$5 bits. On Qwen2.5-7B and Qwen3-8B, where naive int4 collapses to $10^4{+}$ ppl, HQMQ + Med3$\times$ recovers fp16 quality within $0.02$--$0.10$ ppl points at $\sim$5 bits. HQMQ Pareto-dominates naive int by $3$--$1900\times$ at matched bits across all five models, and downstream zero-shot accuracy matches fp16 at $3.79$ bits on Mistral. Against the strongest calibrated KV-quantization baseline, HQMQ at $3.79$ bits matches KIVI-4 ($\sim 4.5$ bits) within ${\sim}1$ pt on CoQA, $0.6$ pts on TruthfulQA, and $2.3$ pts on GSM8K, at $16\%$ fewer bits and without a calibration pass. At the storage level, HQMQ delivers up to $5.05\times$ KV compression, shrinking a Llama-3-70B 128k-context cache from 43 GB to 8.5 GB.
Authors: Samuel Weber, Zaki Hasnain, Souma Chowdhury
Abstract: Autonomous space systems operating in extreme thermal environments require accurate and efficient thermal modeling to support both pre-mission system design and onboard autonomy. For lunar rovers, large temperature gradients, radiative heat transfer, and variable surface conditions make reliable thermal prediction especially challenging. High-fidelity physics-based simulations provide accurate results but are computationally expensive, while simplified models and lookup-table approach often lack sufficient accuracy. Physics-informed machine learning (PIML) offers a promising alternative by combining data-driven models with embedded physical knowledge. This paper presents a PIML framework for thermal analysis of a simplified lunar rover with internal heat sources, where machine learning enables environment-adaptive coarse meshing. The proposed architecture integrates a transfer neural network (TNN) that adaptively determines 3D finite-difference nodalization based on thermal loads and initial conditions, enabling more accurate coarse-mesh calculations. A differentiable finite-difference thermal simulator is embedded within the framework to enforce physical consistency and support efficient training, while an upscaling layer reconstructs high-resolution temperature fields from the coarse-grid solution. The proposed PIML approach is evaluated against high-fidelity fine-mesh simulations, low-fidelity fixed coarse-mesh models, and a purely data-driven artificial neural network (ANN). Results show that the PIML framework improves prediction accuracy by 50% and 39% relative to the coarse-mesh physics model and ANN model, respectively, while maintaining physically consistent thermal distributions. Computationally, the framework is also 3x faster than high-fidelity simulations, demonstrating an effective balance between accuracy and efficiency for thermal modeling of lunar rover systems.
Authors: Gengyue Han, Yiheng Feng
Abstract: Due to limited resources and public safety concerns, deep reinforcement learning (RL) agents for many cyber-physical systems (e.g., autonomous vehicles) are first trained in simulators. However, when deployed in real world environments, they often suffer from performance degradation or safety violations because of the inevitable Sim2Real gap. Existing zero-shot approaches, such as robust safe RL and domain randomization, mitigate this issue but typically at the cost of degraded performance or residual safety risks when experiencing unmodeled system dynamics. To address these limitations, we propose a novel reinforcement learning framework that enables safe and efficient policy transfer via probabilistic latent embeddings and dynamic policy adaptation. We consider a family of Constrained Markov Decision Processes (CMDPs) under different environment contexts. By leveraging latent context variable in meta-RL, the proposed framework infers the latent representation of the environment from simulated experiences. Furthermore, it incorporates a distributional RL formulation, which allows risk levels of the deployed policy to be adjusted dynamically, based on the estimation accuracy of the latent context variable. This strategy promotes safety at the early deployment stage and improves efficiency through fast policy adaptation under the Sim2Real gap.
Authors: Teodor-Mihai Stupariu, Andrei Manolache
Abstract: Equivariant neural networks encode geometric symmetries by construction, yet they are often difficult to optimize and can underperform less constrained architectures. A growing body of work addresses this through architectural modifications such as constraint relaxation or approximate equivariance, while the role of the optimizer remains comparatively underexplored. We study this direction by comparing Muon and Adam across several equivariant and geometric architectures under pointcloud and molecular learning settings. On ModelNet40, where the comparison is clearest, Muon consistently improves over Adam across all architectures considered. We then analyze the trained ModelNet40 checkpoints through Hessian estimates, loss surface visualizations, and spectral properties of learned weights and intermediate representations. The checkpoints reached by Muon have larger Hessian curvature summaries but more regular loss surfaces, and their learned weights and representations have higher stable and effective ranks. These observations suggest that the interaction between optimizer design and geometric inductive bias deserves further attention from the community.
Authors: Hui Dai, Ryan Teehan, Parsa Torabian, Mengye Ren
Abstract: Probabilistic forecasting estimates the likelihood of uncertain future events. To improve LLM forecasting, existing methods typically learn from binary outcomes to output verbalized forecasts. However, while aggregated human forecasts contain rich information in both the crowd probability estimate and the degree of agreement among forecasters, how to utilize these signals remains underexplored. To address this, we propose the Beta-Bernoulli Calibrator (BBC), which converts an initial point estimate forecast from any model into a distribution over event likelihood, using supervision from both binary outcomes and human forecasts. BBC models event likelihood $p \sim \text{Beta}(\alpha, \beta)$ and outcome $y \sim \text{Bernoulli}(p)$, with the mean as the calibrated point forecast and the variance as the epistemic uncertainty. Our results show that BBC generally provides better calibrated and more accurate forecasts than both traditional post-hoc calibration methods and models fine-tuned specifically for forecasting, while remaining lightweight and having good generalization. We also show that the epistemic uncertainty captured by BBC is a more reliable predictor of forecasting error than verbalized confidence.
Authors: Ashutosh Kumar
Abstract: Complex-valued Neural Networks (CVNNs) are often motivated by domains where information is naturally encoded in magnitude and phase. Yet complex-valued inputs alone do not determine when complex arithmetic improves learning: the label signal may lie in amplitude, phase, their coupling, or a symmetry that real-valued models can also represent under suitable coordinates. We study this through a representation-first evaluation of CVNNs against Cartesian real, polar, phase-only, magnitude-only, parameter-matched real, and FLOP-matched real baselines. Across synthetic RF tasks, complex representations are useful but not universally superior. PSK-only tasks favor phase-aware and complex-valued models, QAM-only tasks favor magnitude-based models, mixed PSK+QAM gives only a small complex-valued advantage, and unseen carrier-phase rotations break coordinate-dependent models without augmentation. Similar patterns appear beyond RF: in quantum-wavefunction prediction, momentum is invisible to $|\psi|$ but recoverable from phase, while EEG analytic-signal experiments show that phase locking, amplitude bursts, and phase-amplitude coupling each favor different coordinate views. We also identify a benchmarking artifact on RadioML 2018.01A. Under matched-shared-trial selection, a CReLU complex model exceeds the best real baseline by 22.94 PP; under independent per-family tuning on the same data and 16-trial search space, the gap collapses to 2.46 PP. Gradient analysis traces the inflated gap to high-learning-rate first-step instability in real baselines, while complex parameter coupling distributes the loss signal more robustly. A learning-rate $\times$ activation factorial confirms the failure is primarily hyperparameter-driven. Overall, CVNNs are best viewed as structured inductive biases whose gains depend on representation, symmetry, and optimization, not as universally superior architectures.
Authors: Yashaswi Karnati, Kamran Jafari, Akash Mehra, Li Ding, Pranav Prashant Thombre, Ali Roshan Ghias, Shifang Xu, Parth Mannan, Yu Yao, Hao Wu, Eric Harper, Ashwath Aithal, Nima Tajbakhsh
Abstract: Foundation model training is becoming multimodal, from post-training pipelines to large-scale pretraining. As modality coverage broadens, context windows grow, and encoder LLM scales diverge, a single LLM-centric TP/CP/PP/DP/EP layout increasingly limits throughput. This coupling forces encoders to inherit LLM-driven sharding and placement choices that can add communication, limit encoder parallelism, or constrain the LLM schedule; the mismatch is most pronounced at long contexts, where LLM context parallelism is needed for the fused multimodal sequence but encoder inputs remain bounded. We present heterogeneous parallelism for multimodal large language model training, an abstraction that lets modules in one end-to-end graph use independent layouts and rank placements, supporting colocated execution on shared GPUs and non-colocated execution on disjoint rank sets. The key challenge is preserving boundary tensor semantics across independent layouts: forward activations must be materialized for the destination layout, while backward gradients must be routed back to the source layout. We address this with boundary communicators that implement forward and backward layout transforms, plus scheduling extensions for both placement modes. We evaluate optimized homogeneous, colocated heterogeneous, and non-colocated heterogeneous configurations across multimodal workloads and GPU scales to characterize when added layout and placement freedom exposes a better operating point. Across this sweep, colocated heterogeneity improves TFLOPS/GPU by up to 49.3%, while non-colocated heterogeneity improves aggregate token throughput by up to 13.0% and TFLOPS/GPU by up to 9.6%. We validate loss convergence parity against homogeneous baselines and release the system as an open-source Megatron-LM extension.
Authors: Meghana Bhange, Ulrich A\"ivodji, Elliot Creager
Abstract: When machine learning systems under-perform for particular subgroups, affected users typically have no way to correct these disparities without relying on platform-level fixes. Existing approaches to algorithmic fairness rely on provider-centric approaches to correct these failures, leaving users with no external lever when faced with harm. Recent work in Algorithmic Collective Action shows that coordinated users can steer an algorithmic system toward a collective goal, but the existing mechanisms require the provider to retrain on the collective's modified data which users may not have control over. We propose Test-Time Collective Action (TTCA), a framework through which a group of users who share query access to the platform, can correct disparities affecting under-served subgroup without participating in the platform's training loop. We implement this through a proxy-based mechanism where the collective pools query access to a black-box API to extract a proxy of the platform, then optimizes a per-class universal perturbation against the proxy. Each member applies this perturbation to their own inputs at submission time, requiring no cooperation from the platform. We empirically evaluate the mechanism on CIFAR-10, CIFAR-100, and FairFace, showing that modestly-sized collectives close most of the subgroup accuracy gap, transfer across architectures (a small proxy can attack a larger platform), and improve worst-group accuracy, equal-opportunity gap, and disparate impact. A query-budget analysis comparing a per-user black-box attack baseline shows that pooling is cheaper than each subgroup member attacking alone. Test-time collective action thus offers corrective intervention to users when platform-side remediation is unavailable or delayed.
Authors: Fei Jiang, Lei Yang
Abstract: Reinforcement learning and data-driven autonomous controllers are commonly evaluated using cumulative reward and empirical success frequency under finite simulation trajectories. However, such empirical metrics do not necessarily provide sufficient statistical evidence regarding deployment readiness under uncertainty. This work develops a Bayesian approval framework for learned autonomous landing controllers under finite rollout evidence. A probabilistic landing capability formulation is introduced based on touchdown safety satisfaction under uncertain operating conditions, while Bayesian posterior inference is used to quantify uncertainty regarding the true deployment capability of learned policies. Posterior approval probability and posterior deployment risk are further introduced for deployment-oriented evaluation, together with a sequential validation framework supporting approve/reject/continue decisions during progressive rollout testing. Simulation experiments using PPO and SAC controllers demonstrate that empirical success and reward optimization may produce overconfident deployment interpretation under limited validation evidence, whereas posterior approval inference provides a more uncertainty-calibrated assessment of deployment readiness. The proposed framework provides a practical statistical connection between conventional reinforcement-learning evaluation and deployment-oriented validation under uncertainty and may be generalized to broader classes of learned autonomous systems.
Authors: Arthur Feeney, Xianwei Zou, Sheikh Md Shakeel Hassan, Siddhartha Rachabathuni, Aparna Chandramowlishwaran
Abstract: Two-phase boiling enables heat transfer rates an order of magnitude higher than single-phase cooling, but it remains difficult to model due to the strong coupling between phase change, turbulence, and transport, as well as extreme sensitivity to fluid properties and thermodynamic conditions. Existing learning-based surrogates are either condition- or fluid-specific, limiting generalization and requiring separate models. We present NUCLEUS, a mixture-of-experts model for pool boiling that replaces collections of specialized surrogates with a single architecture. NUCLEUS combines neighborhood attention, signed distance field reinitialization for interface consistency, and expert routing that exhibits emergent specialization across distinct boiling dynamics. Trained on high-fidelity simulations of pool boiling, NUCLEUS jointly models saturated and subcooled boiling across three fluid classes (dielectrics, refrigerants, and cryogens), resolving failure modes of prior models on extreme fluids. We show that expert routing exhibits coherent spatial structure and specialization without explicit supervision. Quantitatively, NUCLEUS matches or exceeds baselines while maintaining physical consistency across heterogeneous boiling configurations. We also show zero-shot and few-shot generalization capabilities on downstream tasks such as a new fluid (Opteon 2P50 developed for immersion cooling). These results demonstrate that mixture-of-experts models are a scalable pathway toward unified surrogate modeling of boiling dynamics and lay the groundwork for broader generalization across scientific ML.
Authors: Zitao Song, Cedar Site Bai, Zhe Zhang, Brian Bullins, David F. Gleich
Abstract: Training instabilities such as loss spikes are frequently the result of stochastic gradient noise. Because of rare expressions in language training data, and multiple layer composition, the noise impact is heavy-tailed and survives mini-batch averaging. Existing remedies trade off structure against cost: vector-norm clipping ignores the matrix structure of weight updates, while spectral normalization (e.g., Muon (Jordan et al., 2024)) respects it at additional cost. We show that this trade-off can be balanced. Real gradient noise appears to be similar to entry-wise heavy-tailed contamination, and a first-order perturbation analysis reveals a localization property of such noise, under which a simple entry-wise method achieves spectral control. Exploiting this, we derive a tractable surrogate for the Bayes-optimal entry-wise estimator under a Gaussian signal prior. We establish $O(\epsilon^{-4})$ convergence guarantee under Cauchy-contaminated noise. Empirically, we find that smooth shrinkage improves Adam on NanoGPT pretraining, saving ${\sim}7\%$ of training tokens. We further find that applying the entry-wise clipping before spectral normalization yields a ${\sim}2\%$ token saving on top of Muon.
Authors: Daniel J. Korchinski, Alessandro Favero, Matthieu Wyart
Abstract: Generative models, from diffusion models to large language models, achieve remarkable performance but at a cost in training data orders of magnitude larger than what biological learners require. An alternative paradigm has emerged in which networks are trained to predict their \emph{own} latent representations of related views or masked regions, as in data2vec and JEPA -- an idea related to predictive-coding accounts of the cortex. Despite strong empirical results, the theoretical understanding of these methods remains limited. Central questions include: by how much does latent prediction actually improve data efficiency? Is there a benefit to stacking such methods into multi-scale hierarchies? We answer both using as data a tractable probabilistic context-free grammar that captures the compositional structure of natural language and images. Such a grammar generates strings of visible tokens by recursively applying production rules along a tree of hidden symbols of depth $L$. For such data, supervised or token-level SSL require a number of samples \emph{exponential} in $L$ to recover the latent tree; we prove that latent prediction achieves this with a number of samples \emph{constant} in $L$, up to logarithmic factors. We confirm this bound with (i) a hierarchical clustering algorithm, (ii) an end-to-end neural network whose predictor-clusterer modules predict their own latents at each level via gradient descent, and (iii) the first sample-complexity analysis of data2vec, which we show implicitly performs hierarchical latent prediction. This suggests that explicit stacking such as H-JEPA is largely redundant.
Authors: Zhengyang Liang, Qihang Zhang, Ceyuan Yang
Abstract: Online reinforcement learning is becoming increasingly important for aligning diffusion models with non-differentiable objectives. However, existing methods still face limitations in assigning fine-grained credit along denoising trajectories and in realizing stable value-based optimization. We propose a state-aligned latent actor-critic framework for diffusion post-training, in which the diffusion model serves as its own timestep-conditioned value function and predicts values directly on noisy latent states. This enables trajectory-level PPO training, supports stable actor-critic optimization with simple conditioning and value pretraining strategies, and naturally allows the learned critic to be reused for inference-time steering. We further extend the framework to multi-reward optimization, where joint training with complementary rewards helps alleviate reward hacking. Across both UNet- and DiT-based backbones, our method consistently outperforms prior group-relative RL and actor-critic baselines on single-reward and multi-reward benchmarks, while test-time steering provides additional gains in generation quality.
Authors: Tolga Dimlioglu, Kristi Topollai, Anna Choromanska
Abstract: Deep neural network training often exhibits highly anisotropic loss geometry, where a few sharp dominant Hessian directions coexist with a large flatter bulk. Gradients tend to align disproportionately with these dominant directions, although stable progress often requires movement through flatter bulk directions. Estimating the dominant subspace is therefore useful but costly with direct Hessian-based methods. We show that standard Local SGD exposes this geometry through worker disagreement. We theoretically show that the worker-average gap covariance is shaped by stochastic-gradient noise and Hessian curvature, causing workers to disagree along sharp, curvature-sensitive directions. Thus, worker-average gaps provide a cheap Hessian-free estimator of the dominant subspace. Experiments on MLPs, CNNs, and Transformers show that subspaces formed by worker-average gaps capture a substantial fraction of the gradient component lying in the dominant Hessian eigenspace.
Authors: Deepak Akhare, Mohammad Amin Nabian, Corey Adams, Sudeep Chavare, Sanjay Choudhry
Abstract: Automotive crashworthiness optimization remains a safety-critical challenge, requiring the management of large-scale nonlinear structural deformations and energy dissipation through iterative, high-fidelity simulations. While traditional finite element solvers are computationally prohibitive, emerging operator learning frameworks provide rapid surrogate predictions; however, applying them to industrial-scale crash analysis, where complex geometry, contact nonlinearities, and rapidly evolving transient deformation coexist, remains an open challenge. In this paper, we demonstrate that the GeoTransolver framework provides a viable solution for accurate, high-fidelity crash dynamics prediction at industrial scale. Benchmarked on complex bumper beam and full-vehicle crash datasets, GeoTransolver captures multi-scale geometric context and accurately resolves plastic deformation patterns as well as acceleration profiles at critical occupant locations. Beyond the architecture itself, we propose and systematically evaluate a suite of temporal prediction recipes, including one-shot, time-conditional, and autoregressive rollout strategies, demonstrating that the one-shot approach achieves state-of-the-art accuracy with significantly reduced training overhead and inference latency. As a secondary contribution, we introduce a Fast Low-rank Attention Routing Engine (FLARE)-based modification to the GeoTransolver attention backbone that reduces memory overhead by approximately 2x while further improving predictive accuracy for O(N) long-range, high-frequency transients, preserving the geometry-aware cross-attention strengths of the base framework. Our results highlight the practical viability of geometry-aware operator learning for high-fidelity surrogate modeling of complex, safety-critical automotive dynamics.
Authors: Sahil Kadadekar
Abstract: Safety evaluations of language models often treat serving configuration as fixed background infrastructure, but batch condition is an untested treatment variable whenever the same prompt may be evaluated alone, in a synchronized batch, or inside a continuous-batching scheduler. We synthesize four artifact-backed studies into a paired testing protocol: Study A combines local discovery, scorer-corrected adjudication, and true-batching confirmation; Study B tests cross-model generalization; Study C tests continuous-batch composition; and Study D runs a batch-invariant-kernel ablation. The local test finds safety-label changes more often than capability-label changes (0.51% vs. 0.14%), but adjudication of 63 candidate rows leaves only 17 genuine behavioral flips, implying a corrected full-set rate of 0.16%. The 15-model extension finds no detectable universal safety-over-capability skew: flips are near parity (0.94x), alignment type has no detectable association ($p=0.942$, $\eta^2=0.033$), and output instability is the strongest tested fragility screen ($r=0.909$, bootstrap 95% CI [0.65, 0.97]). In the targeted kernel ablation, standard vLLM reproduces 22/55 label flips on current score-flip candidates, while enabling VLLM_BATCH_INVARIANT=1 reduces the same test to 0/55 flips; the composition test separately finds no aggregate effect at 4.7pp sensitivity. The testing recommendation is exact-stack validation: evaluate refusal at the served batch setting, pair safety prompts with capability controls, and report low-rate directional flips separately from aggregate null effects.
Authors: Zehao Liu, Yuanpu Cao, Jinghui Chen, Vasant G. Honavar
Abstract: Self-Distillation Policy Optimization (SDPO) provides dense token-level credit assignment for reinforcement learning with large language models by leveraging the model's own feedback-conditioned predictions as a self-teacher. Unlike GRPO, however, whose group-relative advantage naturally concentrates learning on a sweet spot of intermediate-difficulty questions, SDPO's KL-based advantage lacks an implicit notion of difficulty awareness. We analyze this gap through the lens of GRPO's advantage normalization. Extending the learnability framework to normalized rewards, we show that normalization absorbs the variance term $p(1-p)$, equalizing leading-order learnability across questions and leaving $\sqrt{p(1-p)}$ as the sole residual scaling factor in the per-question gradient. This analysis yields a simple prescription: weight each question's SDPO loss by $[\hat{p}(1-\hat{p})]^{1/2}$, resulting in SC-SDPO, a scale-consistent variant of SDPO. The proposed weights are obtained as a zero-cost byproduct of on-policy rollouts with batch-adaptive normalization, inducing an implicit curriculum that dynamically tracks the model's evolving competence. Experiments on scientific reasoning and tool-use benchmarks demonstrate that SC-SDPO consistently improves over SDPO, yielding gains of +3.2/+4.3 (mean@16/maj@16) on Qwen3-8B and +1.8/+3.0 on OLMo-3-7B, while preserving stable training dynamics throughout optimization.
Authors: Ruomin Huang, Eshaan Nichani, Jason D. Lee, Rong Ge
Abstract: In-context learning \ -- performing tasks based on examples given in the prompt \ -- is an important capability that has emerged in large language models and has received significant attention in both theory and practice. Existing theoretical work often focuses on settings where the learning uses information purely from the prompt. However, many practical instances of in-context learning require the model to retrieve factual knowledge stored in the model's parameters, with the context serving to identify which knowledge is relevant. In this work, we study how in-context learning leverages factual knowledge recall. We formalize this behavior by introducing the \emph{in-context factual recall (IC-recall)} task, where a transformer is provided a context of (subject, answer) pairs generated from a hidden relation, along with a query subject, and must both infer this hidden relation and retrieve the corresponding answer. Factual knowledge is modeled by the transformer having access to a simple pre-constructed MLP associative memory storing (subject, relation, answer) triplets. We analyze the supervised fine-tuning dynamics of a one-layer transformer on IC-recall data and prove that the model successfully performs IC-recall by converging to a particular pairwise attention pattern. This fine-tuning stage requires a very small number of samples \ -- only polylogarithmic in the number of stored knowledge triplets. Experiments verify our theoretical predictions and show that the pairwise attention pattern emerges even when the MLP layer is pretrained instead of constructed.
Authors: Yvonne Zhou, Mingyu Liang, Ivan Brugere, Danial Dervovic, Yue Guo, Antigoni Polychroniadou, Min Wu, Dana Dachman-Soled
Abstract: We present the first theoretical convergence analysis of machine learning training under fully homomorphic encryption (FHE), combined with a differentially private (DP) training algorithm tailored to encrypted computation. Our approach improves computational efficiency over standard differentially private gradient descent (DP-GD) while achieving comparable utility. In particular, we prove convergence of approximate gradient descent using polynomial approximations of activation and loss functions, which are required for FHE compatibility. To preserve privacy in downstream tasks, we integrate differential privacy without relying on costly per-sample gradient clipping, enabling scalable encrypted learning. We also provide data-independent hyperparameter selection and theoretically grounded strategies for polynomial approximation which can be of independent interest. Together, these contributions advance the feasibility of efficient, private, and secure machine learning on sensitive data.
Authors: Vincent-Daniel Yun, Youngrae Kim, Woosang Lim, YoungJin Heo, Minkyu Kim, Sunwoo Lee
Abstract: Large language models are known to contain representational redundancy across network depth, making depth pruning an effective approach for improving inference efficiency. Existing one-shot pruning methods rely on local layer importance or fixed redundancy assumptions across architectures. We propose Locality-Aware Redundancy Pruning (LoRP), a training-free one-shot depth pruning framework guided by representation locality. We show that inter-layer redundancy can be either localized or globally distributed depending on the LLM architecture. To characterize this phenomenon, we introduce Representation Locality Score (RLS), derived from global inter-layer hidden-state similarity. Using a small calibration set, LoRP computes pairwise layer similarity, clusters layers by representational similarity, and allocates pruning according to residual intra-cluster redundancy. Experiments across diverse LLM families show improvements in both perplexity and downstream task accuracy.
Authors: Abhijit Kumar, Zoey Wu, Mohit Suley
Abstract: Humans know when to reach for help e.g. $347 \times 28$ warrants a calculator while $2+2$ does not. Language models do not. Prompt-based approaches can instruct a model when to invoke tools, but this scaffolding does not teach it to recognize the boundary of its own knowledge. RL approaches that assign a single outcome reward to the whole trajectory fare no better: trajectory-level credit cannot isolate which tool call in a successful episode actually helped, nor penalize unnecessary calls. We propose \textbf{CARL} (\textbf{C}ompetence-\textbf{A}ware \textbf{R}einforcement \textbf{L}earning), which trains a critic on the model's own rollouts to learn where parametric knowledge suffices and where it needs external help. By decomposing each rollout at natural tool-use boundaries (e.g., code fence delimiters and context block transitions), CARL assigns independent credit to each segment from a single binary outcome, without external judges or step-level annotations. As a result, erroneous tool calls, incorrect extractions, and unnecessary calls each receive appropriately signed advantages. The trained critic captures the model's domain competence: it separates parametrically solvable from tool-dependent questions with AUC 0.93 at 7B. On five benchmarks spanning arithmetic, multi-hop factual QA, and numerical reasoning over financial tables, CARL improves exact-match accuracy by 6.7 points at 7B and 9.7 points at 3B over the best RL baseline, with the largest gain (+8.3 EM at 7B, +9.0 EM at 3B) on Musique. The model issues 53\% fewer tool calls on parametrically answerable questions while remaining ${\sim}10$ EM points more accurate on them. Gains are largest at small scale: the 3B improvement is $1.4\times$ the 7B improvement, suggesting that knowing when to ask disproportionately benefits models with smaller parametric memory.
Authors: Akshaj Murhekar, Abhijit Mishra
Abstract: Recent advances in large language models have accelerated open-vocabulary EEG-to-imagined-text decoding, where non-invasive neural activity recorded during visual perception is translated into coherent natural language descriptions of viewed stimuli. However, existing systems remain highly vulnerable to biological noise, where corrupted neural projections induce hallucinated or semantically unstable generation in frozen language models. We introduce SYNAPSE (Symbolic Neural Alignment for Precise Semantic Extraction), a lightweight neuro-symbolic framework that stabilizes neural text generation through inference-time symbolic regularization. By purifying EEG-derived semantic candidates using commonsense graph structure and latent exemplars, SYNAPSE improves semantic stability without end-to-end LLM fine-tuning. Experiments across popular EEG decoding benchmarks and multiple frozen LLM backends demonstrate consistent gains over unconstrained prompting baselines, robustness under object-label ablation, and performance commensurate with substantially more resource-intensive fine-tuned systems, while preserving biometric privacy by localizing raw EEG processing entirely within the encoder stack.
Authors: Qiyuan Wang, Yao Li, Raymond K. W. Wong
Abstract: Despite recent progress in backdoor attacks, existing methods remain susceptible to post-training defenses that erase the backdoor through fine-tuning or pruning. We revisit the core objectives of backdoor attacks and derive principled criteria characterizing optimal sample-specific trigger construction under a Bayes-optimal model of the victim's training. Our analysis reveals that both attack success and clean-accuracy preservation are simultaneously optimized when triggered samples are steered into low-density regions of the clean data distribution, a distributional condition that controls all moments of the poisoned distribution at once rather than a handful of input-space summary statistics. We introduce a bilevel optimization framework that estimates density ratios via conditional time-score matching and optimizes a mixture-model objective to place triggered samples in these sparse regions. Extensive evaluations on MNIST, CIFAR-10, GTSRB, and TinyImageNet demonstrate that our method achieves above 99\% attack success rate before defense and retains 50--85 percentage points higher post-defense ASR than the strongest baselines under fine-tuning defenses. Against neuron-pruning defenses, the method exhibits complete immunity, with zero neurons identified for removal across all pruning thresholds. These results expose a fundamental gap in current defense paradigms and underscore the need for defenses that operate beyond the support of the clean distribution.
Authors: Prathyush Poduval, Calvin Yeung, Neel Desai, Mohsen Imani
Abstract: Sparse autoencoders are usually trained one layer at a time, even though transformer residual stream activations are strongly coupled across depth. This creates a practical problem for multi-layer interventions: different layerwise dictionaries can spend capacity representing the same carried-forward information, and replacing several layers at once can produce interactions that are not predicted by single-layer behavior. We introduce Residualized Sparse Autoencoders (ReSAEs), which fit an affine map between selected layers and train each later-layer SAE on the unexplained residual rather than on the full activation. Reconstructions are mapped back into the original activation space through the fitted affine chain, so ReSAEs can be evaluated with the same intervention protocols as ordinary SAEs. On Pythia-1.4B and Gemma-2-9B, residualization reduces decoder redundancy and improves sparse probing and targeted perturbation in most tested settings. Despite reconstructing less of the raw activation variance, ReSAEs recover more transformer cross entropy under multi-layer replacement. This gain is clearest under teacher-forcing and at sufficient sparsity online, indicating that ReSAEs preserve the components of the activation most relevant to the model's downstream computation. These results suggest that removing linearly predictable cross-layer structure is a useful default for multi-layer SAE interventions.
Authors: Tomas Ortega, Hamid Jafarkhani
Abstract: We study decentralized online convex optimization when agents communicate over a graph and messages may be compressed. Classical decentralized online methods typically require learning-rate choices that depend on the horizon, comparator scale, or other problem parameters, while compressed communication introduces additional disagreement that must be controlled. We propose DECO-EF (DEcentralized COin-betting with Error Feedback), a decentralized parameter-free online learning algorithm that combines coin-betting predictions with compressed difference-based gossip. Each agent maintains a clean accumulated state and a compressed tracker, and communicates only compressed state differences during gossip steps. The method is parameter-free in the online-learning sense: it does not tune to the horizon, the comparator norm, or the learning rate. We prove expected comparator-adaptive network-regret bounds for DECO-EF under compressed communication. To the best of our knowledge, this gives the first expected sublinear network-regret guarantees for parameter-free decentralized online learning under compressed communication.
Authors: Guang-Yuan Hao, Lars van der Laan, Aur\'elien Bibaut, Nathan Kallus
Abstract: We study the transfer of rewards learned using inverse reinforcement learning from expert demonstrations in one environment to reinforcement learning in a new, different environment. This arises naturally when demonstrations are collected in a controlled environment. We formulate the problem as a joint system of Bellman equations across the source and target environments and develop minimax estimators for the target soft-$q$-function. Whereas a sequential solution approach first estimates the source reward and then plugs it into the target control problem, a coupled approach solves the source and target system of equations jointly. We show that, in contrast to the sequential approach, the coupled approach removes the first-order influence of source Bellman residual error. We characterize the local behavior of each approach, develop finite-sample soft-$q$-function error bounds, and prove regret guarantees for the resulting soft-control policy. An empirical investigation using a sepsis simulator validates the theoretical comparison.
Authors: Naphat Nithisopa, Teerapong Panboonyuen
Abstract: We introduce CAREF, a parameter-efficient fine-tuning framework that jointly optimizes predictive accuracy and explanation faithfulness via calibration-aware regularization. At its core, CAREF couples entropy-based calibration with token-level sparsity control through a single unified loss, the Calibration-Aware Regularization for Explanation Faithfulness (LSCED), without requiring rationale supervision. Evaluated on four NLE benchmarks (COS-E, ECQA, ComVE, e-SNLI) with Flan-T5, our lightweight CAREF-AQ variant attains the best average accuracy (89.04) and explanation alignment (81.00 nBERT) using only 6.43% of trainable parameters, outperforming LoRA and AdaLoRA. To our knowledge, CAREF is the first method to unify entropy and sparsity regularization in a single training objective for interpretable LLM fine-tuning.
Authors: Juergen Dietrich
Abstract: Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph Neural Network (GNN) architectures for drug-drug interaction (DDI) prediction on a publicly available benchmark dataset comprising 38,337 positive pairs across 86 interaction types. Three architectures are compared under identical training conditions (n = 61,339 pairs): a siamese dual Message Passing Neural Network (MPNN) with concatenation (Concat), a dual MPNN with four-head cross-attention (CrossAtt), and a ternary MPNN incorporating an interaction graph (Ternary). CrossAtt improves multi-class F1-macro by +0.186 absolute (+45%) over Concat, while improving binary AUC by only +0.012 (+1.3%) - confirming that atom-level inter-molecular communication specifically enables mechanism-type classification. The ternary architecture underperforms despite equivalent training data, with its failure consistent with a training instability hypothesis. Validation on ten acetylsali- cylic acid (ASA) drug pairs, held out prior to training, demonstrates 10/10 correct DDI-type predictions for CrossAtt versus 0/10 for Ternary. Two consistent failure cases are identified across all architectures, linking to structural limits established in a companion toxicity study.
Authors: Jiaxin Zhao, Weihang Pan, Xun Liang, Binbin Lin
Abstract: Offline policy improvement faces an inherent conflict between maximizing value and fitting the data distribution. While in-sample weighted regression is stable, it suffers from over-conservatism that suppresses high-value actions in the distribution tail; conversely, gradient-based approaches often exhibit a fitting-optimization conflict of gradients, which drives the policy off the data manifold. To address this, we propose Support-Preserving Action Rectification (SPAR), which reframes global learning as a local residual rectification anchored to a frozen pure behavior cloning policy. This framework performs fine-grained fitting and local policy improvement in the residual space, thereby contracting the search space. We further introduce Latent Self-Imitation, utilizing a latent-sampling weighted-regression mechanism to address fitting-improvement gradient conflict in the residual space. Theoretically, we prove this mechanism eliminates the manifold-normal drift of standard value gradients, while extensive D4RL experiments show SPAR extracts significant gains from suboptimal baselines to achieve state-of-the-art performance.
Authors: Jun Bai, Ziyang Song, Yue Li
Abstract: Synthetic Electronic Health Record (EHR) generation provides a promising avenue for data augmentation and cross-hospital modeling in privacy-constrained healthcare settings. However, most existing EHR generative models are centralized and require pooling data across hospitals, which is often infeasible when real-world data sharing is restricted. While federated EHR generation offers a natural solution, direct federated modeling often collapses or diverges due to the high dimensionality, sparsity, and cross-hospital heterogeneity of EHR data. In this work, we propose FedEHR-Gen, the first federated framework for synthetic time-series EHR generation across distributed hospitals. FedEHR-Gen uses a two-stage learning paradigm. First, we introduce a federated autoencoder that projects high-dimensional and sparse EHR features onto a compact latent space. To ensure semantic consistency across hospitals, we develop a layer-wise matching aggregation mechanism that aligns local encoders into a unified global latent space. Second, operating on this aligned latent space, we train a federated temporal conditional variational autoencoder (TCVAE) with distribution-aware aggregation, enabling stable temporal generative modeling under severe cross-hospital heterogeneity. Extensive experiments on the eICU and MIMIC-III datasets demonstrate that FedEHR-Gen achieves generation fidelity, downstream utility, and privacy risk comparable to centralized training, while consistently outperforming the standard federated baseline.
Authors: Safal Thapaliya, Jiatan Huang, Chuxu Zhang
Abstract: Node classification on graphs often requires labeled nodes, yet obtaining labels at graph scale is expensive. When node attributes contain semantic content, such as paper abstracts, web pages, or product descriptions, large language models (LLMs) can provide low-cost supervision by annotating a small subset of nodes. However, these LLM-generated labels are noisy, and existing label-free graph learning methods usually treat this noise as either global or class-conditional. We find that LLM annotation errors are not only class-dependent but also region-dependent: within the same class, reliability can vary sharply across feature-space clusters. In light of this, we propose Cluster-Aware Noise Estimation (CANE), a label-free learning framework that estimates cluster-conditional LLM reliability without ground truth labels, and uses this estimate to decide which pseudo-labels to trust, and which labels to correct. Across various graph benchmarks and GNN backbones, CANE improves over the strongest label-free baselines, with the largest gains on datasets exhibiting stronger cluster-conditional noise.
Authors: Wendi Li, Shawn Im, Sharon Li
Abstract: Agentic large language models are increasingly used to solve real-world tasks by reasoning over goals, invoking tools, and interacting with external environments. Reinforcement learning provides a natural framework for improving these behaviors, and recent agent RL methods have achieved strong results across domains. However, the training dynamics of agent RL remain poorly understood, limiting our ability to diagnose instabilities and design more effective training algorithms. In this work, we identify a previously underexplored phenomenon in agent RL, which we term cyclical entropy eruption. Unlike single-turn reasoning RL, where entropy typically collapses and stays low, agent RL training exhibits unique recurring cycles of sharp entropy eruption and gradual subsidence. We decompose this dynamic into three phases and provide theoretical and empirical analyses of each, explaining the mechanisms underlying its cyclical oscillation. We further show that degenerate patterns such as sentence duplication and hallucination, once acquired during eruption, can persist and accumulate across cycles. Motivated by these findings, we propose SEAL (Separation-Enhanced Agent Learning), a lightweight auxiliary loss that separates correct and incorrect trajectories in representation space, directly targeting the root cause of entropy eruption. Experiments across multiple benchmarks, models, and RL algorithms demonstrate that SEAL stabilizes training and yields stronger downstream agent performance.
Authors: Ken Takeda, Masafumi Oizumi, Ryo Karakida
Abstract: Generative models, including diffusion models, are increasingly used as foundation models and adapted through sequential fine-tuning, making continual learning an essential problem setting. However, continual learning in such generative models remains poorly understood: after a task change, what aspects of the learned distribution are most easily lost, and what replay samples should be prioritized? We address these questions through the modern Hopfield energy. Recent links between modern Hopfield networks (MHNs) and diffusion models allow analyses in MHNs to be transferred to diffusion models. We introduce intrinsic forgetting as an increase in Hopfield energy after the task change. In tractable settings in an MHN, we prove that high-energy, outlier-like samples undergo a larger energy increase than cluster-like samples, implying that samples located in sharp, isolated basins are more forgettable. We further analyze memory replay and show that replay is particularly effective for high-energy samples, enabling an energy-based selection of replay samples. We validate these predictions in experiments on MHNs and two diffusion models under continual-learning settings: Stable Diffusion and a pixel-space DDPM. In these diffusion models, Hopfield energy tracks reconstruction-based forgetting, and replay experiments reveal energy-dependent mitigation of forgetting that is consistent with the MHN analysis.
Authors: Wenjie Sun, Jinning Yang, Shuai Zhang, Mengnan Du
Abstract: The guidance of scaling laws has increased the resource demands of modern large language models (LLMs), yet it remains questionable whether these models utilize resources effectively under a fixed budget. Previous research has proved superposition as a key contributor to loss. By leveraging the Neural Feature Ansatz, we extend superposition from parameter space to gradient space and define it as neural interaction. We find that under a fixed budget, good generalization is usually accompanied by efficient neural interactions, and the model can be placed in an efficient interaction interval by adjusting its depth-width ratio ($R_{D/W}$). In addition, as the budget scales up, the efficient interaction interval of the model remains relatively stable. By comparing existing small scale dense LLMs, we observe that models operating near this interval tend to perform better on the MMLU-Pro benchmark. Our findings reveal that the $R_{D/W}$ influences resource utilization efficiency and thereby affects generalization, providing insights into model shape initialization and the understanding of model generalization mechanisms. Code for Neural Interaction Law is available at: https://anonymous.4open.science/r/Neural_Interaction_Law-D788
URLs: https://anonymous.4open.science/r/Neural_Interaction_Law-D788
Authors: Seunghyeok Shin, Minwoo Kim, Dabin Kim, Hongki Lim
Abstract: Diffusion posterior sampling conditions diffusion priors on measurements, but data-consistency updates are typically scaled by hand-tuned guidance weights and can destabilize sampling under stiff, operator-dependent curvature. We replace scalar guidance with a per-noise-level damped Gauss--Newton correction computed in diffusion-state coordinates. The correction pulls likelihood gradients back through the denoiser, uses a one-sided curvature model that avoids forward denoiser Jacobians, and applies diffusion-calibrated rank-one damping aligned with the denoiser residual. Each correction is solved with matrix-free GMRES using automatic differentiation, and sampling proceeds with a variance-preserving Langevin transition with a closed-form drift/noise split. On FFHQ and ImageNet across inverse problems, it achieves competitive PSNR/SSIM/LPIPS while running markedly faster than most of the compared baselines; on accelerated MRI reconstruction, it achieves the best PSNR/SSIM among the compared baselines.
Authors: Tae-Gyun Lee, Junyoung Park, Kyu Won Han
Abstract: Time series anomaly detection is critical for maintaining the reliability of mission-critical systems. While Transformer-based models like PatchTST have shown remarkable performance, their $\mathcal{O}(L^2)$ computational complexity severely limits deployment in resource-constrained environments. In this paper, we propose Patched-DeltaNet, a novel architecture combining time-series patching with Gated Delta Networks. By integrating these paradigms, we hypothesize and demonstrate the emergence of token-level event-driven memory, whereby the patching mechanism extracts local semantic chunks, while the error-driven DeltaNet updates its recurrent state exclusively when significant physical changes, defined as deltas, occur. This synergy effectively filters out background noise and captures sudden anomalous drifts. Our rigorous experiments on the Server Machine Dataset (SMD) benchmark demonstrate the structural superiority and sample efficiency of Patched-DeltaNet. By strictly outperforming recent architectures under unified evaluation constraints and identical compute budgets, our model yields an ROC-AUC of 0.957 and PA-F1 of 0.822, while drastically reducing computational complexity to the theoretical minimum of $\mathcal{O}(L/P)$.
Authors: Niclas Pokel, Benjamin F. Grewe
Abstract: Deep networks are powerful function approximators, but they typically store many different computations in shared weight matrices, making it difficult to selectively reuse or adapt parts of them when a familiar structure appears in novel combinations. We introduce the Vector Network (VN), a hierarchical recurrent architecture in which each layer replaces a fixed weight matrix with a library of reusable rank-1 weight atoms. For each input, VN minimizes a layer-local energy to infer a sparse set of active weight atoms and their coefficients, jointly constrained by bottom-up input reconstruction and top-down feedback consistency. These weight atom coefficients then compose an input-specific low-rank weight matrix for that sample. After convergence, slow learning updates only the selected weight atoms through local residual signals scaled by the inferred coefficients. We evaluate VN on four compositional benchmarks spanning 1D signals, 2D spatial decoding, N-body dynamics, and compositional MNIST. VN matches strong baselines in distribution while often achieving out-of-distribution error about an order of magnitude lower when familiar factors must be recombined in novel ways. Vector networks thus make compositional generalization a structural property of the architecture and inference process rather than a brittle byproduct of fitting many behaviors into one shared dense parameter substrate.
Authors: Fengqiang Wan, Qing-Yuan Jiang, Yang Yang
Abstract: Out-of-distribution (OOD) detection is essential for deploying machine learning models in open-world and safety-critical scenarios, where test inputs may deviate from the training distribution and overconfident predictions on unknown samples can lead to unreliable decisions. Outlier Exposure (OE) has emerged as a promising OOD detection paradigm by introducing auxiliary outliers during training to enlarge the margin between in-distribution (ID) and OOD samples. Existing OE-based methods typically enlarge this margin by employing uniform labels to maximize the entropy of OOD samples over ID categories. However, we theoretically show that uniform labels inevitably disregard the relations between OOD samples and ID categories, termed the over-softening effect, leading to a suboptimal margin bound. Our theoretical analysis further reveals that explicitly exploiting such relations can instead yield improved OOD detection performance. Motivated by this insight, we propose \underline{A}daptive Confidence \underline{OE} (AOE), a simple yet effective method that leverages temperature scaling to recalibrate outlier labels. Specifically, AOE generates adaptive soft targets from temperature-scaled model predictions for OOD samples, where the learnable temperature smooths the prediction distribution without fully erasing class-wise relational information. By supervising OOD samples with these adaptive soft targets, AOE preserves the semantic proximity between OOD samples and ID categories while encouraging the softened targets to approach a high-entropy distribution, thereby suppressing overconfident OOD predictions and enlarging the separation margin. Extensive experiments across diverse benchmarks demonstrate the effectiveness of AOE.
Authors: Qingfei Zhao, Huan Song, Shuyu Tian, Jiawei Shao, Xuelong Li
Abstract: Group Relative Policy Optimization (GRPO) is widely used for training reasoning models, but updating all sampled completions in each group incurs substantial cost and can reinforce verbose reasoning trajectories. In this paper, we study whether all completions provide equally useful update signals in GRPO-style reasoning RL. Our gradient-similarity analysis shows that, within the same prompt group, same-class completions often induce highly similar update directions, whereas correct-incorrect pairs provide more distinct contrastive signals. Motivated by this observation, we propose Binary Prefix Policy Optimization (BPPO), which uses the shortest correct completion and the shortest incorrect completion as a compact update unit while preserving full-group advantage normalization. BPPO further improves efficiency with adaptive completion scheduling and prefix-focused optimization; by updating only response prefixes, it avoids reinforcing redundant suffixes and encourages more concise responses. Experiments on GSM8K, MATH, and Geo3K show that BPPO achieves up to 6.08x speedup over GRPO while maintaining competitive accuracy, and reduces mean response length by approximately 30-50% without modifying the reward with an explicit length penalty.
Authors: Shuhao Chen, Weisen Jiang, Yeqi Gong, Shengda Luo, Chengxiang Zhuo, Zang Li, James T. Kwok, Yu Zhang
Abstract: Fine-tuning large language models often undermines their safety alignment, a problem further amplified by harmful fine-tuning attacks in which adversarial data removes safeguards and induces unsafe behaviors. We propose SPARD, a defense framework that integrates Safety-Projected Alternating optimization with Relevance-Diversity aware data selection. SPARD employs SPAG, which optimizes alternatively between utility updates and explicit safety projections with a set of safe data to enforce safety constraints. To curate safe data, we introduce a Relevance-Diversity Determinantal Point Process to select compact safe data, balancing task relevance and safety coverage. Experiments on GSM8K and OpenBookQA under four harmful fine-tuning attacks demonstrate that SPARD consistently achieves the lowest average attack success rates, substantially outperforming state-of-the-art defense methods, while maintaining high task accuracy. Code is available at https://github.com/shuhao02/SPARD.
Authors: Jian Yang, Zhizhuo Kou, Yao Tian, Hao Zhang, Han Chen, Sirui Han, Yike Guo
Abstract: Test-time training (TTT) adapts an LLM during generation by reading and updating request-owned state, such as fast weights, low-rank deltas, or streaming learner state. This breaks batched LLM serving, which assumes shared static weights: serial execution is correct but slow, while naive batching can corrupt request state. We formulate this problem as read-write TTT serving and present RW-TTT , which tags each decode step with its owner, version, and READ/WRITE effect, batches only compatible phases, and commits updates only to the owner. On one GPU with eight fast-weight InPlace-TTT streams, RW-TTT reaches 274.61 aggregate tok/s, 9.31x over sequential serving and 3.44x over per-stream replicas under the same memory budget. It preserves behavior on RULER, a long-context benchmark, and passes owner/version checks.
Authors: Zhi Zhou, Ming Yang, Shi-Yu Tian, Kun-Yang Yu, Lan-Zhe Guo, Yu-Feng Li
Abstract: Test-time adaptation (TTA) aims to adapt models to maintain reliable performance on non-stationary test streams without requiring labeled data. Despite its empirical success, the learnability of TTA under non-stationary streams remains unexplored. A key challenge is the lack of a principled theoretical framework that simultaneously aligns with the TTA objective and captures both continuously evolving distribution shifts and intrinsic information constraints. To address this gap, we propose the first theoretical framework for studying the learnability of TTA and introduce $(\epsilon,\delta)$-Recovery Complexity and $(\epsilon,\rho)$-TTA Learnability. Recovery complexity measures the post-shift time needed to maintain excess risk below a target level with high probability, and is further extended to TTA learnability, which measures the long-term reliability of TTA. Within this framework, we introduce a novel discrete surrogate for non-stationary test streams, enabling a unified and tractable analysis of both gradual and abrupt shifts. We derive order-wise matching lower and upper bounds on recovery complexity, revealing fundamental limits of TTA and an intrinsic adaptivity-information trade-off. These results provide unified learnability guarantees for TTA that complement regret-based analyses.
Authors: Haruki Yajima, Yusuke Matsui
Abstract: Tree ensembles are machine learning models with strong predictive performance and interpretability, and remain widely used for tabular data. Standard pruning methods for tree ensembles typically optimize an accuracy-compression trade-off and may change a subset of predictions, potentially compromising decision consistency. Faithful pruning methods address this issue by preserving prediction equivalence over the entire input space, but this requirement leads to lower compression ratios. We propose PINE, a pruning method that provides strong guarantees within an in-distribution region. PINE preserves prediction equivalence within this region and controls the region size using a single parameter $\alpha$ via conformal calibration. Experiments on 12 public tabular datasets show that PINE improves the compression ratio by up to $30\%$ while preserving predictions at a comparable level to existing faithful pruning methods.
Authors: Matthew Vandergrift, Martha White, Yury Polyanskiy, Philippe Rigollet, Lazar Atanackovic
Abstract: Many learning problems require predicting how populations evolve under an unknown transformation. A natural representation for such populations is a probability measure, with point clouds as a key example. In this work, we study the measure-to-measure (M2M) regression problem, in which one seeks to learn a map between probability measures from a finite collection of observed input-output pairs. In contrast to classical regression, where individual samples are transformed independently, M2M regression treats entire distributions as the data points. This perspective is vital in certain scientific applications, for example, cellular and molecular biology, where cells are known to evolve not as independent data points but as a collection. However, few existing approaches address the problem of M2M regression with sufficient expressivity and scalability. We present a formalization of nonlinear M2M regression and introduce two easy-to-use, expressive, and scalable approaches to learn such operators: transformers as static M2M maps and transformers as dynamic M2M velocity fields. Our approach leverages the natural measure-dependent and mean-field structure of transformers to learn nonlinear M2M maps on the space of probability distributions. We illustrate the effectiveness of our proposed method to generalize to unseen measures on synthetic experiments, interacting particle systems, and a large-scale patient-derived organoid dataset for predicting treatment response in colorectal cancer.
Authors: Junhao Wei, Yanxiao Li, Bidong Chen, Yifu Zhao, Haochen Li, Dexing Yao, Baili Lu, Xudong Ye, Jietian Feng, Sio-Kei Im, Yapeng Wang, Xu Yang
Abstract: We present a unified experiment, analysis, and benchmark study of multivariate time-series (MTS) anomaly detection. Ten family-representative detectors -- spanning statistical, reconstruction, association, frequency, and generic-transformer families -- are evaluated on five datasets (SMD, MSL, SMAP, PSM, and MSDS) under effectiveness, efficiency, robustness, and cross-dataset generalisation. All methods share the same windowing, scoring, hardware, and metric protocols. Effectiveness, ablation, and robustness use three random seeds; cross-dataset transfer uses seed~0 because each extra seed requires $250$ source-target evaluations. The benchmark yields three method-independent findings: no single-bias baseline dominates; absolute perturbation VUS-ROC is more informative than retention ratios; and MSDS behaves as an event-dense deployment workload rather than a sparse point-anomaly benchmark. Under this protocol we also introduce \ours{}, an adaptive detector family combining a NOTEARS-constrained directed channel-graph view with optional patch-attention and temporal-association views. \ours{} achieves the best macro-average VUS-ROC ($0.675$, $+5.1$~pt over the second-best LSTM-AE), ranks first overall, and reaches the top-3 on all five datasets. Its wins on MSL and MSDS are narrow, while its average and robustness gains are larger: under the same three-seed robustness protocol for every method, it obtains the strongest absolute VUS-ROC across noise, channel dropout, and time-shift perturbations. We release the MSDS preprocessing protocol, configurations, scripts, and seed-level metric dumps.
Authors: Hao Jiang, Shurui Li, Tianpeng Bu, Bowen Xu, Xin Liu, Qihua Chen, Hongtao Duan, Lulu Hu, Bin Yang, Minying Zhang
Abstract: Recent advances in online reinforcement learning (RL) for large language models (LLMs) have demonstrated promising performance in complex reasoning tasks. However, they often exhibit an imbalanced exploration-exploitation trade-off, resulting in unstable optimization and sub-optimal performance. We introduce IB-Score, a novel metric grounded in Information Bottleneck theory that evaluates policy's exploration-exploitation balance by quantifying the trade-off between step-level reasoning diversity and mutual information shared with the correct answer. Analysis based on IB-Score shows that popular online RL approaches (e.g., GRPO) with common regularizers fail to consistently maintain balance during training with suboptimal results. To address this, we propose Information Bottleneck-driven Tree-based Policy Optimization (IB-TPO), a principled framework that formulates IB-Score as a fine-grained optimization objective and utilizes a novel IB-guided tree sampling strategy that not only improves the efficiency of online sampling with 50% more trajectories under the same token budget, but also reuses the tree structure for effective IB-Score Monte Carlo estimation. Extensive experiments across standard benchmarks show that our method significantly outperforms GRPO baseline by 2.9% to 3.6% and also outperforms other state-of-the-art online RL approaches. Our code is available at https://github.com/alibaba/EfficientRL.
Authors: Mufan Qiu, Genhui Zheng, Yinuo Xu, Ruichen Zhang, Ying Ding, Qi Long, Tianlong Chen
Abstract: Predicting how a cell will change its transcriptional state under a developmental signal or a genetic perturbation is the computational core of in-silico biology and the AI Virtual Cell program. Existing approaches either fit static control-to-treated maps that discard time, or solve multi-step ODE / Schr\"odinger-bridge problems on each dataset independently. We introduce Chreode, a one-step cell world model that predicts action-conditioned cell-state transitions through a structured residual transition operator. It shifts distributional evolution from inference time to training time, enabling single-pass generation while preserving a Waddington-inspired decomposition into downhill landscape flow, rotational in-tangent dynamics, and stochastic spread. The model is pretrained with a shared scVI encoder and a DiT-based dynamics backbone on a 2.4M-cell mouse embryonic atlas spanning 7 datasets. As a fine-tuning initialization, Chreode improves per-target Sinkhorn distance on Weinreb hematopoiesis and Veres islet differentiation over matched scratch models, PI-SDE, and PRESCIENT. As a transferable gene-state embedding for GEARS, the pretrained dynamics representation reduces shared-vocabulary DE20 mean squared error on Norman Perturb-seq from 0.2121 to 0.1858, a 12.4% relative improvement, without changing the GEARS training procedure. We interpret this transfer to perturbation prediction as evidence that pretrained developmental-trajectory dynamics encode differentiation primitives transferable to CRISPR-induced state shifts, since both involve cell-state transitions in a shared latent geometry. The pretrained backbone additionally produces zero-shot clonal fate scores on Weinreb that are competitive with strong dynamic-OT baselines.
Authors: Kaiqiang Ke, Shenghong He, Chengdong Xu, Yuheng Luo, Xiangyuan Lan, Chao Yu
Abstract: Offline goal-conditioned reinforcement learning (GCRL) is challenging in long-horizon tasks, where distant state--goal pairs provide weak supervision and value estimates become vulnerable to accumulated bootstrapping errors. Hierarchical methods mitigate this difficulty by introducing intermediate subgoals, but fixed temporal abstractions or fixed hierarchy depths can be mismatched to state--goal pairs with different reachability horizons. We propose Coarse-to-Fine Hierarchical Goal Reinforcement Learning (CFHRL), a fully offline GCRL framework that adaptively refines distant goals before execution. Starting from the final goal, CFHRL recursively proposes intermediate targets, trained from replay-supported candidates, and stops refinement once the current target is estimated to be locally executable by a learned reachability cost. The key idea is that a subgoal need not be an exact midpoint or globally optimal waypoint; it only needs to provide reliable progress and reduce the remaining reaching difficulty, enabling subsequent refinement over shorter horizons. A stylized analysis further supports the robustness of approximate recursive contraction. Experiments on OGBench show substantial gains on several long-horizon tasks, with ablations validating the proposed refinement and stopping mechanisms
Authors: Benjamin Heymann, Otmane Sakhi
Abstract: We study the problem of learning to bid when the bidder's value is dynamic, i.e., when the current value depends on past outcomes. Specifically, we consider a bidder participating in repeated second-price auctions whose value depends on the time elapsed since their last successful bid, with auctions arriving in continuous time and only aggregated feedback revealed at the end of the horizon. Such a bidder must (1) balance the immediate benefit of winning the current auction against its impact on future values and (2) learn unknown environmental parameters. We derive regret bounds for a class of learning methods that combine plug-in estimators with a differential-equation characterization of the optimal policy, and show that a specific confidence bound algorithm learns the optimal policy with a near optimal regret of $\widetilde{O}(\log N)$ for piecewise linear primitives, and $\widetilde{O}(N^{1/3})$ for general, smooth primitives, achieving these regrets without explicit randomization. These theoretical results are supported by numerical experiments.
Authors: Aleksei Arzhantsev, Otmane Sakhi, Nicolas Chopin
Abstract: Inference-time sampling can elicit strong reasoning abilities from language models without additional training. Existing power-sampling methods do so by sharpening the distribution over full generated outputs, favoring completions that are individually likely under the model. We argue that this is the wrong object to target for reasoning: a completion entangles a reasoning trace with a final answer, whereas what matters is whether an answer is supported by many plausible reasoning paths. We therefore shift the target from the full-output distribution to the sharpened answer marginal, making self-consistency an inference-time objective rather than a post-hoc voting criterion. Surprisingly, this marginal target admits an efficient approximation: we propose a simple, purely autoregressive parallel sampling algorithm that approximately samples from the sharpened answer marginal, eliciting stronger performance than standard power sampling on mathematics and coding benchmarks while being orders of magnitude faster.
Authors: Mohammad Taha Askari, Lutz Lampe, Amirhossein Ghazisaeidi
Abstract: We present the first neural probabilistic amplitude shaping that outperforms existing methods while accounting for all implementation losses, using a block-less, easily implementable sequential autoregressive encoder compatible with arithmetic distribution matching, yielding reduced rate loss and higher achievable information rates.
Authors: Bartosz Wieciech, Zmnako Awrahman, Marcin Czelej, Victor Hugo Jaramillo Velasquez, Wioletta Stobieniecka
Abstract: Sparse Autoencoders (SAEs) extract interpretable features from Large Language Models, but standard variants enforce non-negativity, forcing separate latents for diametrically opposed concepts (e.g., "pressure too high" vs. "pressure too low") and wasting dictionary capacity when features are anticorrelated. We propose the Sign-Aware Gated SAE (SA-GSAE): two-sided gated sparsity with signed magnitude and auxiliary supervision. A polarity-sensitive gate selects support on either sign, a signed-magnitude path avoids L1 shrinkage, and an auxiliary reconstruction prevents gate collapse. Bipolar sharing - one latent encoding both signs along a shared direction - is realised via a new Bi-Jump-ReLU activation; parameter accounting shows sign-awareness stays parameter-efficient even when anticorrelated pairs are rare. On real LLM activations across three mid-depth hookpoints on Pythia-1B and SmolLM3-3B (6 cells, 3 seeds), a half-width SA-GSAE at width H strictly Pareto-dominates a full-width Gated SAE at 2H over the entire swept L0 overlap on 3 of 6 cells (both MLP-output hookpoints and resid-mid/Pythia-1B); on the remaining 3 it matches R^2 within 0.025 (max gap -0.008) while cutting dead fraction by 0.35-0.62 absolute. Sweep-geomean dead-fraction reductions are ~100x-500x on MLP-output cells and Pythia-1B resid, ~2x-4x on attention cells and SmolLM3-3B resid. Ablations show the two-sided gate and auxiliary loss are load-bearing (no auxiliary collapses LR to 0.27, 98% dead); tying r_i^+ = r_i^- is indistinguishable (|Delta R^2| = 0.0015), and we recommend this symmetric variant as default. MLP-output gains come from most latents carrying both polarities; on attention, bipolar structure concentrates in a small set of top latents. Full-width SA-GSAE exhibits a reproducible reconstruction collapse at SmolLM3-3B resid that the half-width entirely avoids.
Authors: Otmane Sakhi, Aleksei Arzhantsev, Imad Aouali, Flavian Vasile
Abstract: Large scale reinforcement learning has become a central tool for improving reasoning in large language models. At this scale, generation is often lagged or asynchronous, so updates are performed on data collected by older policies. This makes learning inherently off-policy. Most existing approaches nevertheless remain rooted in PPO-style trust-region objectives, treating training as approximately on-policy and using importance weights to correct distribution mismatch. These corrections can introduce high variance, destabilize optimization, and accelerate entropy collapse. Recent work suggests an alternative: rather than correcting the mismatch, one can embrace off-policy data and remove importance weights, often yielding stronger algorithms. In this paper, we provide an intuitive construction of off-policy objectives that include successful off-policy objectives and show that their effectiveness can be understood through implicit pessimism: they optimize toward target policies that are more conservative than their nominal objectives suggest. This perspective explains why some particular implementation choices improve stability: they implicitly control the effective target distribution. We then propose a principled modification that stabilize this induced distribution and improve off-policy learning.
Authors: Yi-Ling Kuo, Hao-Yu Tien, Shih-Yu Tsai
Abstract: Predicting Internet round-trip time (RTT) is critical for routing optimization, quality-of-service (QoS) provisioning, and traffic engineering, yet remains challenging due to long-term temporal dependencies, evolving routing dynamics, and heavy-tailed latency distributions. While Temporal Graph Neural Networks (TGNNs) can model evolving network topologies, most existing approaches operate in Euclidean space, which poorly captures the hierarchical and scale-free structure of Internet routing graphs. Hyperbolic geometry provides a more suitable representation space. We propose HERMIT (Hyperbolic Edge-aware RTT Modeling via Integrated Topology), a hybrid framework combining a hyperbolic manifold-preserving temporal GNN with a Random Forest regressor for joint link prediction and RTT prediction. Built on HMPTGN, HERMIT introduces RTT-aware edge features and a learnable edge encoder to improve modeling of evolving link states and routing behavior. The resulting hyperbolic node representations are combined with historical RTT statistics for robust latency prediction. We evaluate HERMIT on a large-scale real Internet dataset spanning 2015-2024. HERMIT consistently outperforms a strong Random Forest baseline using only historical RTT statistics, achieving a 6% RMSE improvement while reducing large errors on heavy-tailed samples. It also surpasses prior hyperbolic TGNN models, including HMPTGN and HTGN, in link prediction performance. These results demonstrate that combining hyperbolic temporal graph learning with tree-based regression provides a scalable solution for RTT prediction in real-world Internet topologies.
Authors: Jonas Hanselle, Valentin Margraf, Clemens Damke, Eyke H\"ullermeier
Abstract: The literature has proposed various robust alternatives to empirical risk minimisation to address failure modes such as distribution shift, label noise and finite-sample degeneracies. Examples include distributionally robust optimization, label smoothing, vicinal risk minimization, and Mixup. However, such approaches are typically developed in isolation, forcing practitioners to commit a priori to a single failure mode even when the dominant mode for the task is unclear. To address this, we organize a broad class of existing methods along three common design axes and derive a tractable training procedure that decomposes robust learning into sequential stages (reference distribution enrichment, input-space perturbation, label-space perturbation, and sample-level aggregation), each with a choice of stance (pessimistic, neutral, or optimistic). This results in a unified design space in which joint hyperparameter optimization can compose and configure robustness strategies suited to the task at hand. Across tabular, image, and reward modeling benchmarks, joint hyperparameter optimization is competitive with the best single-method baseline in each setting, offering a reliable default for practitioners who do not know a priori which failure mode dominates their task.
Authors: JungHoon Lim
Abstract: Irregular Multivariate Time Series (IMTS) are common in practice, yet their irregular sampling complicates effective modeling. Existing approaches typically either (i) design specialized architectures that limit the reuse of proven Multivariate Time Series (MTS) models, or (ii) map IMTS onto regular temporal grids through interpolation, which may distort temporal dynamics by introducing artificial values. To address these limitations, we propose a new input-embedding-based approach. We identify that the key bottleneck lies not in the backbone architecture, but in conventional embedding layers that assume uniform sampling. In this work, we introduce QuITE (Query-Based Irregular Time Series Embedding), a simple yet effective plug-and-play embedding module for IMTS. QuITE employs learnable query tokens to aggregate irregular observations through a single self-attention layer, directly producing backbone-compatible latent representations without artificial value generation or architectural modification. Extensive experiments on real-world benchmarks show that QuITE consistently improves MTS models, yielding average relative gains of up to $54.7\%$ in forecasting and $15.8\%$ in classification across diverse datasets and backbone architectures. Code is available at: https://github.com/Meaningfull9502/QuITE.
Authors: Zili Wang, Jiajun Chai, Lin Chen, Xiaohan Wang, Shiming Xiang, Guojun Yin
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as the standard paradigm for improving reasoning capability of large language models, while Multi-Token Prediction (MTP) has been a widely adopted module in pretraining. Combining them is a natural approach, yet current RL practices detach MTP gradients because joint training degrades the performance. We revisit this failure from an optimization perspective. We show that the per-step effect of MTP on the RL objective can be decomposed into two terms: a first-order correlation and a second-order perturbation penalty. This decomposition unifies three MTP training regimes: Detach, Cross-Entropy loss, and Policy loss, and explains why each succeeds or fails. Further analysis of policy loss reveals that, although it aligns with intuition, performance still degrades: the correlation term decays while the quadratic penalty persists. Guided by the analysis, we propose Optimal Coefficient Calibration (OCC), an adaptive scheme that tracks the optimal coefficient online via a log-probability proxy at negligible cost. Across six competition-level mathematical reasoning benchmarks, OCC consistently matches or exceeds the detach baseline, delivering improved joint MTP-RL training performance.
Authors: Junfeng Nie, Alvin Jin, Xiaohui Chen
Abstract: Existing approaches for synthetic tabular data generation are based on either purely generative models or LLMs, both of which struggle with data heterogeneity, logical consistency, rare-event coverage, and robustness in low-data regimes. In this paper, we propose a hierarchical hybrid top-down and bottom-up (H-TDBU) framework that decouples semantic structures from stochastic texture. In the top-down path, structure-driven logical constraints and cross-modal alignment rules are constructed, while in the bottom-up path, lightweight tabular generators are used to learn local statistical patterns from real data. The two paths are consolidated in a unified synthesis engine with an iterative feedback loop. We evaluate the framework on weak multimodal financial benchmarks combining tabular and sentiment-text data. Experimental results show that our H-TDBU approach improves train-synthetic-test-real performance over neural baseline methods while preserving semantic consistency. Our results suggest that hierarchical rule-guided synthesis provides an effective mechanism for combining controllability, semantic coherence, and statistical fidelity in synthetic data generation.
Authors: Ehtesamul Azim, Muhtasim Noor Alif, Tae Hyun Hwang, Yanjie Fu, Wei Zhang
Abstract: Single-cell RNA sequencing (scRNA-seq) profiles large numbers of cells but loses spatial context, whereas spatial transcriptomics (ST) preserves partial spatial structure at lower resolution. Most existing integration methods either deconvolve spot mixtures or map cells onto a measured spot lattice, which ties reconstructions to a fixed grid and slide-specific coordinate systems, a limitation that is especially problematic in unpaired settings. We propose GEARS, a geometry-first framework that reconstructs an intrinsic single-cell spatial geometry guided by ST, without relying on cell-type labels, histological images, or cell-to-spot assignment. GEARS first learns a domain-invariant expression encoder that aligns ST spots and dissociated cells, and then trains a permutation-equivariant generator with a diffusion-based refiner with EDM-style preconditioning to generate local spatial geometries under pose-invariant supervision derived from ST coordinates. At inference, GEARS reconstructs geometry on many overlapping subsets of scRNA-seq cells, aggregates predicted pairwise distances across subsets, and solves a global distance-geometry problem to obtain canonical two-dimensional coordinates and a dense distance matrix. Extensive quantitative and qualitative experiments, including cross-section generalization, show that GEARS consistently improves global distance preservation, local neighborhood fidelity, and spatial distribution alignment compared to strong spatial mapping and deconvolution baselines.
Authors: Muyao Wang, Zeke Xie, Hideki Nakayama
Abstract: As Text-to-Video (T2V) generation models continue to evolve, the complexity of video evaluation necessitates a fine-grained assessment across various axes. To address this, recent works have focused on developing Multidimensional Video Reward Models (MVRMs), which decompose the evaluation process to better align with the multifaceted nature of human visual perception. However, training effective MVRMs is fundamentally challenged by the complex nature of video data. In this work, we identify a critical phenomenon termed Dimensional Heterogeneity: the reliability of a training sample can vary substantially across evaluation dimensions, meaning that a sample may provide reliable supervision for one objective while inducing high supervision risk for another. Consequently, prevailing data-centric methods that filter based on global scalar metrics are ill-posed for T2V tasks. To address this, we propose a disentangled influence framework that that efficiently estimates dimension-specific supervision risk. Leveraging this framework, we introduce two dimension-disentangled refinement strategies: Dimension-Disentangled Pruning, which removes extreme high-risk samples, and Dimension-Disentangled Reweighting, which softly down-weights high-risk supervision. Extensive experiments demonstrate that our disentangled strategies significantly outperform global filtering baselines, yielding reward models with superior alignment to ground truth.
Authors: Lei Zhang, Fubo Sun, Haipeng Yang, Zhong Guan, Likang Wu
Abstract: Graph clustering is essential in graph analysis for revealing structural patterns and node communities. Despite recent advances in self-supervised contrastive learning that have improved clustering via structural and attribute signals, existing methods still struggle to flexibly capture high-order local structures and often overlook global semantics in complex graphs. These limitations lead to suboptimal node representations, especially in real-world graphs with fragmented structures and ambiguous cluster boundaries. To address these limitations, a contrastive graph clustering framework is proposed to jointly integrate multi-scale local structures with global semantics via attention mechanisms. At the local level, GNN-based topological signals extracted from multiple propagation depths are adaptively fused through attention-based weighting to capture multi-scale neighborhood features. At the global level, semantic prototypes derived from dynamically evolving cluster centers are adaptively aggregated through attention to guide node representations and enhance inter-cluster separability. The model is trained under a dual-view contrastive learning paradigm with a hybrid objective that combines instance-level and structure-aware losses to improve representation robustness and discrimination. Experiments on eight real-world graph datasets demonstrate that our method achieves competitive clustering performance. Code is available at https://github.com/vege12138/w2.
Authors: {\L}ukasz Janisi\'ow, Sebastian Musia{\l}, Bartosz Zieli\'nski, Dawid Rymarczyk, Tomasz Danel
Abstract: Small-molecule drug discovery requires simultaneous optimization of numerous properties of candidate molecules. These properties can be investigated through the analysis of high-dimensional biological signatures, such as cell morphology and transcriptomic perturbations, which provide a rich perspective on the underlying biological mechanisms. However, existing generative methods, which use those signatures for optimization, fail to meet two key requirements: providing precise guidance toward desired phenotypic signatures while maintaining structural proximity to a known hit. We introduce PhAME (Phenotype-Aware Molecular Editing), a latent diffusion framework that overcomes this challenge by recasting molecular optimization as editing in the latent space of a pretrained graph-based VAE. Our central contribution is a compositional classifier-free guidance scheme with two independent scales, one for the phenotype-conditioning and one for similarity to the seed structure, allowing practitioners to control the tradeoff between these two objectives. Empirical evaluations across diverse benchmarks, including docking score optimization and multimodal phenotypic generation, demonstrate that PhAME achieves state-of-the-art results while maintaining high chemical validity and novelty.
Authors: Yuhan Li, Mingxu Zhang, Dazhong Shen, Ying Sun
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a key technique for en- hancing LLM reasoning, yet its data ineffi- ciency remains a major bottleneck. Existing methods address this problem only partially, each missing at least one of subset-level cov- erage, verifier signal use, or interpretability. To address this gap, we present IRDS (Inter- pretable RLVR Data Selection), which selects RLVR training instances on a sparse autoen- coder (SAE) cluster basis so the selection itself is auditable on recognizable problem motifs. To select instances the model both fails on and can still learn from, we introduce a verifier- coupled coverage objective on the SAE basis and solve it by greedy log-determinant max- imization. Experiments on three instruction- tuned models and six math reasoning bench- marks show that IRDS achieves the highest overall accuracy, exceeding the strongest base- line by +3.9/+4.0 pp on the two Qwen models and by +0.5 pp on Llama-3.1-8B, while run- ning an order of magnitude cheaper than the trajectory-based baseline.
Authors: Peyman Morteza
Abstract: We introduce a continuous-time generative modeling framework, motivated by the Chow-Rashevskii theorem, that builds expressive flows from a small set of fixed vector fields and learned scalar controls. Instead of learning an unconstrained high-dimensional vector field, our framework constructs the velocity by modulating fixed vector fields with learned scalar control functions. When the fixed fields are bracket-generating, their Lie algebra spans the ambient space, providing a mechanism for expressive transport with only a small number of learned control channels and offering a parameter-efficient geometric alternative to standard vector-field parameterizations. This decoupled formulation yields a structured and interpretable generative model in which the number of learned scalar output channels can be chosen independently of the ambient dimension. We formulate an expressivity principle showing that, under suitable controllability and well-posedness assumptions, such controlled flows can transport a source distribution to a target distribution. We train the resulting model using a continuous-normalizing-flow likelihood objective and present proof-of-concept experiments on synthetic distributions.
Authors: Hanjia Gao, Hanwen Ye, Qing Nie, Annie Qu
Abstract: Dynamic topic modeling is widely used to analyze evolving trends in scientific literature, medical records, and social media. Traditional topic models represent each topic through a single probability vector on the multinomial simplex and implicitly couple word occurrence and repetition within one probabilistic mechanism. However, this formulation restricts the dependence structure among words and overlooks informative higher-order interactions, particularly in dynamic corpora with overlapping semantics. To address these limitations, we introduce a hypergraph representation of text where each document is modeled as a hyperedge connecting all co-occurring words, with repetition intensities encoded as node weights. This representation naturally separates word occurrence from repetition and induces a novel hypergraph-based multinomial distribution with a nonlinear normalization depending on the observed word set of each document. Building on this likelihood, we develop a dynamic topic modeling framework via structured low-rank factorizations with explicit temporal regularization on topic-word profiles. Moreover, we establish local convergence guarantees and derive non-asymptotic error bounds despite the intrinsic nonconvexity induced by bilinear factorization and document-specific nonlinear normalization. Numerical experiments on synthetic data and an application to the International Conference on Learning Representations (ICLR) corpus demonstrate consistent improvements over existing multinomial-based topic models.
Authors: Onno Eberhard, Claire Vernade, Michael Muehlebach
Abstract: Reinforcement learning algorithms are commonly analyzed (and designed) under the Markov assumption. This is unrealistic, as most environments encountered in practice are either partially observable, or require function approximation that restricts the agent to access non-Markovian state features. We consider the problem of learning an optimal reactive policy in a finite environment with deterministic observations (or equivalently, hard state aggregation). We introduce a new algorithm, Committed Q-learning, and prove almost-sure convergence to the optimal reactive policy under an intuitive assumption we call rewire-robustness. This assumption is strictly weaker than the $q_\star$-realizability condition used in prior work. Our algorithm is a variant of classical Q-learning in which the behavior policy commits to a single action upon entering a feature, and only resamples actions when the observed feature changes. A crucial part of our analysis is the introduction of quasi-Markov environments.
Authors: Bjarke Hastrup, Francois Cornet, Tejs Vegge, Arghya Bhowmik
Abstract: Discovering novel stable molecules without training data remains a grand scientific challenge. Current molecular generative models are trained on large, pre-curated datasets, which introduce biases and limit exploration of novel chemistry. In contrast, we propose a new paradigm: autonomous, generalized agents capable of mapping vast, unknown chemical spaces without any pretraining. For the first time, we present AtomComposer, a self-guided agent that autonomously constructs valid 3D isomers under stoichiometric constraints and is trained exclusively online using reinforcement learning. Unlike existing approaches that generally overfit to a specific chemical formula, we establish a multi-composition training scheme that enables a broad generalization across diverse chemistry, guided by energy- and validity-based rewards. Our agent can discover up to an order of magnitude more valid isomers on unseen test formulas than existing single-composition reinforcement-learning baselines trained with per-step energy rewards. These results fulfill the promise of online reinforcement learning as a powerful paradigm for scalable, from-scratch exploration of chemical configuration space.
Authors: Shiyun Lin, Simon Mauras, Vianney Perchet, Nadav Merlis
Abstract: We study bandit learning in matching markets, where players and arms constitute the two market sides, and the players' utilities are linear in the arm contexts. In each round, new arms arrive with observable contexts. Then, the algorithm matches them to players, aiming to minimize each player's regret against a stable matching benchmark. This contextual structure creates significant complexity: subtle context shifts can slightly alter one player's utility while completely reconfiguring the underlying benchmark, causing large regret spikes for others. We address this in two settings: stochastic contexts, drawn from a latent distribution, and adversarial contexts, which may be arbitrary. For the stochastic case, we introduce a novel minimum preference gap to capture learning difficulty and provide a fully adaptive algorithm with an instance-dependent poly-logarithmic regret upper bound. We also establish matching instance-independent regret upper and lower bounds under a mild distributional assumption. For the adversarial setting, we propose a tractable regret notion that remains valid under arbitrary contexts and achieves an instance-independent sublinear regret bound via an adaptive algorithm.
Authors: Hongru Hou, Tiehua Mei, Denghui Geng, Jinhui Huang, Ao Xu, Hengrui Chen, Jiaqing Liang, Deqing Yang
Abstract: Proactive Recommender Systems (PRSs) aim to guide user preference shift toward target items by generating paths of intermediate recommendations. Reinforcement learning (RL) provides a principled framework for optimizing such sequential decision tasks, as path rewards can naturally capture both short-term acceptance and long-term guidance effectiveness. However, naively applying policy gradients to PRS results in deficient gradient estimation. We identify two deficiencies: (1) path-level rewards decompose into step-level rewards with positive mean, creating a length-dependent bias that causes gradients to favor path extension over meaningful exploration; (2) weighting each step by the entire path-level reward ignores the decomposition structure, leading to high gradient variance. To rectify these two deficiencies, we propose an effective RL framework ProRL with two novel mechanisms for proactive recommendation. First, Stepwise Reward Centering subtracts expected rewards to neutralize length-dependent bias, ensuring that path extension yields zero expected gradient signal. Second, Position-Specific Advantage Estimation leverages the reward decomposition structure to compute step-dependent baselines, reducing gradient variance. Together, these mechanisms yield policy gradients that precisely target path quality. Our experiments on three real-world datasets demonstrate that ProRL significantly outperforms state-of-the-art PRSs. Our code is available at https://github.com/hongruhou89/ProRL.
Authors: Minghui Zhang, Xiaobin Li, Jie Chen, Ningtao Zhang, Fenhua Lu, Junrui Ma, Jiazhen Yan, Wanqin Tu, Xiaodong Tang, Bingshui Gao, Chengui Lu, Zhichao Zhang, Jinlong Zhang, Weiping Liu
Abstract: In modern nuclear physics experiments, identifying events of interest is challenging for nuclear reaction studies with the active target Time Projection Chamber (TPC). In this work, machine learning techniques are employed to analyze the complex data of the 12C + 12C fusion reaction from a TPC named MATE (multi-purpose active-target time projection chamber for nuclear experiments). Specifically, we successfully applied Residual Neural Network (ResNet-50, ResNet-34 and ResNet-18) and Visual Geometry Group (VGG-19) to classify elastic scattering and fusion reaction events from the 12C + 12C reaction. The classification results of the four models are nearly identical, with accuracies of approximately 97% for the simulated data and 90% for the experimental data. Moreover, these approaches successfully identify some events that are misclassified by traditional methods. These models are also applied to classify events from different fusion reaction channels, with classification accuracies of approximately 95% on simulated data. In addition, a Convolutional Neural Network (CNN) model is developed to reconstruct the reaction vertex, providing an alternative strategy for vertex reconstruction. These results indicate that machine learning techniques can effectively classify reaction events from different channels and reconstruct the reaction vertex, thereby paving the way for future analyses of complex nuclear reaction data.
Authors: Maolin Wang, Ziting Mai, Xuhui Chen, Zhiqi Li, Tianshuo Wei, Yutian Xiao, Wenlin Zhang, Wanyu Wang, Ruocheng Guo, Haoxuan Li, Zenglin Xu, Xiangyu Zhao
Abstract: Traditional network analysis focuses on single-layer networks, real-world systems often form multilayer networks with multiple relationship types. However, existing methods typically fail to capture complex inter-layer dependencies by treating layers independently or aggregating them. To address this, we propose T-GINEE (Tensor-Based Generalized Multilayer-graph Estimating Equation), a statistical regularization framework combining tensor-based generalized estimating equations with task-specific loss to model cross-network correlations explicitly. Key innovations include: (1) CP tensor decomposition capturing structural dependencies via shared latent factors; (2) a generalized estimating equation framework modeling inter-layer correlations through working covariance matrices; and (3) a flexible link function accommodating characteristics like sparsity. Our theoretical analysis establishes consistency and asymptotic normality under mild conditions. Extensive experiments on synthetic and real-world datasets validate T-GINEE's effectiveness for multilayer network analysis.
Authors: Hanjiang Wu, Abhimanyu Rajeshkumar Bambhaniya, Sarbartha Banerjee, Tuhin Khare, Sudarshan Srinivasan, Suvinay Subramanian, Souvik Kundu, Madhu Kumar, Midhilesh Elavazhagan, William Won, Amir Yazdanbakhsh, Tushar Krishna
Abstract: Modern large language model (LLM) inference has progressively disaggregated to keep pace with growing model sizes and tight TTFT and TPOT service-level objectives: from chunked-prefill aggregation, to prefill-decode (P/D) disaggregation, and most recently to operator-level Attention-FFN Disaggregation (AFD). This trend is especially important for mixture-of-experts (MoE) models, where memory-bound attention, compute-intensive expert FFNs, and MoE dispatch/combine communication create distinct resource demands. AFD further exposes this heterogeneity by placing attention and MoE-FFN execution on separate GPU groups. Each level of disaggregation deepens the scheduling design space across workload characteristics, resource allocation, and interconnect topology, raising the central question: when does each level actually pay off? We systematically characterize this trade-off for MoE inference across realistic workloads spanning input/output sequence lengths, prefix-KV reuse, and per-user latency constraints. Using chunked-prefill and P/D disaggregation as baselines, we study the benefits and limits of AFD at scale through a framework that fuses on-device kernel measurements with high-fidelity network simulation. Under strict TTFT/TPOT SLOs, AFD sustains around 4k tokens/s of system throughput on DeepSeek-V3.2 across chat, coding, and agentic-coding workloads, where non-AFD deployments are infeasible. We distill concrete takeaways for jointly optimizing throughput and interactivity, including how to partition attention and FFN across GPUs as a function of workload and model architecture, providing design principles for current rack- and cluster-scale deployments as well as future disaggregated AI infrastructure.
Authors: Aakash Kumar, Maria Sofia Bucarelli, Emanuele Natale
Abstract: Composing autoregressive models remains a core challenge in understanding how large language models can combine behaviors or skills learned across tasks. We introduce a new and principled composition strategy for autoregressive systems, inspired by composition methods developed for diffusion models. Under a factorized-conditionals assumption, we show that the resulting composition is projective: each component model preserves control over its own designated subspace of the output distribution avoiding interference between models. This property is further preserved under smooth reparameterizations of the output space, yielding a feature-space theorem. Finally, we show that composition preserves length-generalizing behavior when the factorization assumptions and component guarantees hold uniformly at the target length. These results provide a principled understanding of when model composition and merging succeed in autoregressive systems and identify conditions under which their interactions remain stable.
Authors: Sara Gjorgjieva, Eva Tuba, Tome Eftimov
Abstract: In large-scale benchmarking of stochastic optimization algorithms, the key challenge is no longer whether repeated runs are needed for reliability, but how to determine when sufficient evidence has been collected without incurring unnecessary computational cost. We study a learning-based extension of a recent empirical online heuristic that adaptively estimates the required number of runs using outlier handling and skewness-based symmetry checks. Using annotated outcomes from 132{,}000 Nevergrad runs on COCO (24 problems in 20 dimensions, 10 instances each, 11 optimizers), we train classifiers on 23 statistical, energy-free, and shape and stability features to predict whether a run-number estimate is reliable, prioritizing detection of incorrect estimates via minority-class recall. We evaluate reliability prediction using a within-configuration learning setup, where models are trained and tested on data sharing the same optimizer. The results show that run-number reliability can be learned in a within-configuration scenario, enabling detection of unreliable estimates with high minority-class recall, although performance remains limited by the restricted data diversity within fixed configurations.
Authors: Pranav Lakshmanan, Paras Chopra
Abstract: Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.
Authors: Jinwoo Kim, Taylor Berg-KirkPatrick, Loris D'Antoni
Abstract: When generating outputs for domains with specific validity constraints (e.g., a program should compile), LLMs often fail in a small number of focused ways: for example, by using Python function names when generating TypeScript. We observe that these error patterns can be represented using a small number of constraints that can be learned in practice. We propose \emph{prefix filters}, which are per-domain-and-LLM symbolic functions, as objects to capture the error patterns, Palla as an algorithm to learn prefix filters efficiently in practice, and implement Palla. Prefix filters learned by Palla i) help us quantitatively analyze the error patterns of LLMs, and ii) can be used to constrain the outputs of a model via constrained sampling algorithms. For example, Palla boosts compile rates for Qwen2.5-1.5B on TypeScript generation, by over 60%, allowing Qwen2.5-1.5B to achieve similar performance to Llama3.1-8B unconstrained.
Authors: Shiyuan Zuo, Jiashuo Li, Rongfei Fan, Han Hu, Jie Xu
Abstract: Federated Learning (FL) enables multiple clients to collaboratively train models without sharing raw data, but it is highly vulnerable to Byzantine attacks. Existing robust approaches can neutralize these threats but incur substantial computational overhead during high-dimensional gradient aggregation, an overhead that scales poorly with model size and increasingly dominates the training cost as modern models grow larger. To address this computational bottleneck, we propose Projected Dimensionality Reduction (PDR), a universal acceleration framework for vector-level distance-based robust aggregators, which performs robust aggregation by compressing gradients into a drastically smaller subspace via sparse random projection to efficiently compute reliability weights. This approach reduces the server computational complexity to an optimal $ \mathcal{O}(Mp) $, where $ M $ is the number of clients and $ p $ is the model dimension, matching the theoretical lower bound required merely to read the gradients. We establish convergence guarantees under standard FL assumptions in prior Byzantine-robust FL analyses. By leveraging the Subspace Embedding Theorem, we show that PDR achieves optimal convergence rates of $ \mathcal{O}(1/\sqrt{T}) $ for non-convex functions and $ \mathcal{O}(1/T) $ for strongly convex functions, where $ T $ denotes the number of iterations. Crucially, we mathematically demonstrate that this massive acceleration comes almost for free, merely inflating the inherent Byzantine error floor by a bounded, tunable factor of $ \frac{1+\epsilon}{1-\epsilon} $. Experimental results on benchmark datasets confirm that integrating PDR with existing aggregators yields orders of magnitude speedups in time efficiency while maintaining highly competitive convergence performance.
Authors: Zhi Wen Soi, Aditya Shankar, Gert Lek, Abele M\u{a}lan, Daniel Neider, Jian-Jia Chen, Lydia Chen
Abstract: The boundary between real and diffusion-generated time series is becoming increasingly difficult to draw, yet detection in this domain remains underexplored, especially when the generator is unknown. We compare white-box detection, which requires access to the generator, against black-box detection, which operates on the raw signal alone. The white-box approach, a reconstruction-based detector adapted from the image domain, works well in in-distribution but breaks down under generator shift: reconstruction-based detection in images succeeds because large generic generators provide a near-universal reconstruction prior, and no analogous generator exists for time series. In contrast, a simple off-the-shelf classifier used as a black-box detector performs remarkably well, achieving an average F1 of 79.2, a 22.1% relative improvement over the white-box approach, and a TPR@1%FPR of 57.2. Diffusion-generated time series detection is therefore not a direct transfer of the image domain problem. This work provides the first systematic exploration of white-box and black-box detection for diffusion-generated time series. We close by identifying several open and promising directions.
Authors: Alon Helvits, Eliya Nachmani
Abstract: Error-correcting codes enable reliable communication, yet practical soft decoding remains challenging across code families and block lengths. We propose SB-ECC, a score-based decoder that casts decoding as continuous-time denoising. A neural denoiser defines a probability-flow ordinary differential equation (ODE) that iteratively updates the noisy channel observation toward a valid codeword, guided by parity constraints. The model is trained across noise levels without time/SNR conditioning, enabling inference without SNR estimation and supporting a direct latency accuracy trade off controlled by the ODE solver budget. We use the raw signed channel observation as input for learning a continuous denoising field. Across 42 code/SNR settings, SB-ECC achieves the best BER in 39/42 entries, with an average SNR gain of 0.17dB and a maximum gain of 0.46dB over the strongest competing baseline, we showed that swapping the solver from Euler to DPM preserves -ln(BER) while reducing end-to-end decoding time by 8.86% on average (up to 12.82%).
Authors: Haiqian Yang, Yuan Cao, Markus J. Buehler
Abstract: World models have enabled interactive exploration of game environments and robotic manipulation, but physical engineering remains beyond their reach: real materials exhibit nonlinear constitutive laws, carry history-dependent internal state, undergo inertial dynamics, and may possess hierarchical structures spanning multiple length scales. We present LEIA (Learned Environment for Interactive Architected materials), a world model that lets engineers apply boundary conditions step by step and observe the resulting deformation and stress fields in real time. LEIA handles large three-dimensional unstructured meshes and generates autoregressive responses to user-specified loading. We introduce MicroPlate, a benchmark of architected plates spanning two regimes of microstructure modeling: architected lattices that resolve microstructure explicitly through three-dimensional geometry, and a homogeneous plate where microstructural change is modeled implicitly through internal degrees of freedom. MicroPlate is used to assess LEIA alongside four baseline methods across both regimes. Finally, we demonstrate that LEIA enables efficient candidate generation and ranking for fast surrogate-guided search for de novo designs of architected materials, with stress-accurate candidate ranking validated by finite element ground truth.
Authors: Meraj Mammadov, Pedro Zuidberg Dos Martires, Johannes Andreas Stork
Abstract: Imitation learning (IL) from a state-based reinforcement learning (RL) policy is a common approach to overcome the curse of dimensionality in complex and high-dimensional observation spaces prevalent in robotics. This paper addresses the irreducible imitation gap that emerges when teacher and student are learned in isolation, and the teacher policy has the liberty to rely on privileged state information that the student cannot infer from its observations. Instead of improving poor student performance with RL finetuning after IL, which often requires a whole new training setup, we propose a novel algorithm which learns a shared embedding space that hides agent-specific observations and thus trains imitable teacher policies by construction. We train the shared embedding space with self-supervised contrastive learning in parallel to the teacher policy and prevent it from extracting private information by limiting its gradients from updating the encoder networks. We perform evaluations on several example domains and compare to state-of-the-art baselines showing that our algorithm enables higher student performance with substantially reduced imitation gap.
Authors: Alan Ferrari
Abstract: Standard transformer architectures apply a single attention mechanism uniformly across all tokens and sequence positions, irrespective of local context or computational budget. We propose Meta-Attention, a framework that dynamically routes each token to the most appropriate attention strategy -- full softmax attention, linear (kernel) attention, or sliding-window local attention -- via a Bayesian Meta-Controller. Unlike prior routing approaches that use deterministic or prior-free learned routing, the Meta-Controller treats per-token mechanism selection as posterior inference under a compute-aware Dirichlet prior: routing weights are the output of an amortised variational posterior q(alpha | x_t; phi) trained with an Evidence Lower Bound (ELBO) objective that jointly encodes task performance and attention-mechanism cost. This design produces principled routing uncertainty estimates that govern the soft-to-hard routing transition, mitigates routing collapse without ad hoc load-balancing losses, and yields better compute-performance trade-offs than deterministic or prior-free learned routing at negligible overhead. Phase 1 empirical results on a Tiny LM benchmark confirm core predictions: the Bayesian controller's learned routing distribution implies a projected normalised FLOP cost of 25.1% under hard routing, vs. 59.3% for the prior-free baseline (-34.2 pp), and reduces routing entropy from 55.8% to 43.3% (-12.5 pp), demonstrating that the Dirichlet prior prevents routing collapse while the non-Bayesian model defaults to full attention. We present the Bayesian architecture, ELBO training objective, and a Phase 1 PyTorch prototype validating forward-pass correctness, posterior diversity, and a controlled ablation against a prior-free baseline. Code available at: https://github.com/KFEAL/meta-attention
Authors: Elvin Hajizada, Michael Neumeier, Edward Paxon Frady, Yulia Sandamirskaya, Axel von Arnim, Bing Li, Eyke H\"ullermeier
Abstract: Recognizing and continuously learning novel human actions without forgetting prior classes is a requirement for emerging AR/VR and robotics applications. For these applications, both on-device processing and learning are essential for privacy and low-latency adaptation. Event cameras address the efficiency of visual sensing with sparse, asynchronous output that is naturally compatible with neuromorphic processing. Yet no prior system has deployed a continual on-device learning pipeline for event-based action recognition using neuromorphic hardware. We present CLANE, Continual Learning of Actions on Neuromorphic Hardware from Event Cameras, deployed end-to-end on Intel Loihi 2. CLANE combines a spiking 2D CNN for spatiotemporal feature extraction with CLP-SNN as its on-chip learning head, extended to action clips via a Temporal Aggregation Layer and a fixed-point Normalization Layer, both novel Loihi 2 modules. On THU E-ACT-50, a 50-class dataset captured under real-world conditions, CLANE achieves 70.4% accuracy in a continual learning task while delivering more than 100x energy reduction and 16x lower latency over a sequential CNN+GRU+CLP edge GPU baseline, validated through iso-algorithm cross-platform benchmarking across three evaluation levels.
Authors: Kun Liang, Chenming Tang, Clive Bai, Weijie Liu, Saiyong Yang, Yunfang Wu
Abstract: On-policy distillation (OPD) transfers reasoning behavior by training a student on teacher feedback along student-generated trajectories, but standard full-rollout training ties every update to a costly completion and can over-allocate supervision to late positions with low marginal value for the current student. We revisit this assumption through the useful supervision horizon: student-induced rollouts can drift from teacher-preferred continuations, while aligned prefixes may already preserve the long-horizon OPD update direction. We propose ADWIN, an adaptive-window framework for OPD that treats rollout length as an online admissibility decision, training on short teacher-anchored prefixes while using delayed full-rollout probes to audit prefix--full alignment and adapt the next horizon with staleness control. Across math and code reasoning benchmarks in single-task, multi-task, and strong-to-weak settings, ADWIN improves the accuracy--compute trade-off over full-rollout OPD and prefix-based baselines, reducing end-to-end training cost by up to 4.1 times while achieving comparable or better accuracy.
Authors: Markus Herre, Andrej Tschalzev, Sascha Marton, Christian Bartelt
Abstract: With the rise of tabular foundation models alongside traditional models still performing well on many tasks, choosing the right model for a tabular dataset remains difficult. We investigate whether dataset meta-features can explain performance gaps between model families on tabular prediction tasks. Using the TabArena benchmark results, we analyze dataset-level performance gaps and relate them to model-agnostic dataset descriptors. After strict statistical tests with false discovery control, we find that (1) for neural network vs. tree gaps, no meta-feature survives false discovery control, (2) for non-foundation vs. foundation model gaps, one association is robust but does not generalize when tested in leave-one-dataset-out prediction, and (3) for TabICLv2 vs. TabPFN-2.6, one robust association also improves held-out prediction. Furthermore, we conduct a leave-one-dataset-out analysis and find that meta-feature predictors fail to improve meaningfully over a simple baseline. Overall, our results show the heterogeneity of tabular datasets and that global meta-feature approaches are not robust enough to offer explanations on the 51 TabArena datasets.
Authors: Yasser Taha, Gr\'egoire Montavon, Nils K\"orber
Abstract: While machine learning (ML) architectures have evolved rapidly to account for complex data, loss functions like cross-entropy remain mostly structure-agnostic in many real-world applications. However, the `class-symmetric' nature of these standard losses fundamentally limits the ability of ML models to exploit structural relationships between classes, particularly when facing structured noise. We propose \textsc{Conveyance}, a new classification approach and associated loss function tailored to structured class spaces. It allows users to encode graph-like relations between classes without having to define complex joint distributions or manually tune utility matrices.Technically, our loss function operates by maximizing two separate margins over distinct class partitions, while preserving formal properties such as monotonicity and partial convexity. We demonstrate the versatility and effectiveness of our method by applying it to hierarchical classification, ordinal regression, and multiple instance learning. Across these tasks, \textsc{Conveyance} either matches or exceeds the performance of specialized baselines, thereby offering a unified solution for structured class spaces.
Authors: Alberte Heering Estad, Ignacio Peis, Jes Frellsen
Abstract: Diffusion models have emerged as powerful generative approaches for missing-data imputation, yet most existing methods operate directly in data space and degrade when training data are heavily incomplete. We investigate whether shifting diffusion to a learned latent representation improves robustness under missing-completely-at-random (MCAR) corruption. To this end, we propose a two-stage framework: a robust VAE-based imputer first learns compact semantic features from incomplete observations, and a diffusion model is then trained in the resulting latent space. Across training missing rates, we perform a controlled comparison against pixel-space diffusion models under the same incomplete-data setting. The latent diffusion model maintains high sample quality and remains stable up to 50\% missingness, while pixel-space diffusion degrades progressively as missingness increases. For downstream imputation, latent diffusion also achieves consistently better performance than pixel-space diffusion. These findings indicate that latent-space modeling mitigates artifact amplification from zero-imputed inputs and provides a more robust generative prior for incomplete-data learning. Overall, our results support latent diffusion as a strong and practically useful alternative to pixel-space diffusion for missing-data problems.
Authors: Jungyong Son, Jinwook Jung, Minhee Park, Sungyong Baik
Abstract: Fine-tuning large-scale pre-trained models is a recent prevalent paradigm for adapting general representations to specialized tasks. However, when a new version of a pre-trained model becomes available, expertise acquired through fine-tuning cannot be directly reused because it is tied to the parameterization of the original model, requiring another costly fine-tuning. To address this inefficiency, recent work uses task vectors, defined as the parameter difference between a fine-tuned model and its base model, to transfer expertise across models. While existing methods bridge disparate models by matching activations or gradients, a significant performance gap remains relative to direct fine-tuning, suggesting that these partial correspondences are insufficient. In this work, instead of viewing a task vector merely as a parameter offset, we revisit the formation of task vectors and show that they can be derived as accumulated bilinear interactions between input-side activations and output-side gradients. Motivated by this observation, we formulate task-vector transfer as a dual-space alignment problem and propose BiCo, a training-free framework for transferring task vectors through Bilinear Coordinate alignment. BiCo estimates orthogonal Procrustes mappings in both spaces using a single forward-backward pass on a small calibration set, without any parameter update. Across extensive computer vision and natural language processing benchmarks, BiCo consistently outperforms existing transfer methods across models that differ in width, depth, and pre-training configuration.
Authors: Avidan Shah, Jannik Brinkmann, Rico Angell
Abstract: As LLMs gain stronger reasoning capabilities, their extended chain-of-thought introduces new degrees of complexity for defending against adversarial jailbreaks and prompt injection. We study consistency training, a family of fine-tuning objectives that enforce identical behavior on clean prompts and adversarial rewrites, and evaluate its two main variants, output-level (BCT) and activation-level (ACT), across five reasoning models. We formulate both methods as a prompt injection defense and find ACT to be competitive with other training-based defenses while requiring only self-supervised pairs of clean and wrapped prompts. Our experiments also generalize both techniques within the jailbreak setting, demonstrating that ACT remains more robust to adaptive attacks. We also provide mechanistic evidence that ACT's defense against jailbreaks is encoded as a roughly linear shift in activation space at the assistant-turn boundary. After ACT training, we can recover a single steering direction that controls refusal on reasoning models with minimal effect on benign inputs. We find that ACT remains robust even when the model's chain-of-thought is replaced with a compliant trace from the undefended base model, pivoting to refuse prefilled jailbreaks. Together, these results suggest that supervising internal representations is a surprisingly effective and interpretable approach to various forms of safety training in reasoning models.
Authors: Zhiqin Cheng, Yu Zhan, Mingjin Zhang, Lingbo Liu, Liang Lin
Abstract: Fitting an unknown number of hyperplanes to data is a fundamental yet challenging problem in machine learning, characterized by its non-convexity, non-differentiability, and unknown model order. Existing approaches often struggle with local optima or lack geometric consistency. To address these limitations, we propose a novel framework based on Manifold Optimization. We reformulate the problem as an unsupervised learning task on the unit sphere manifold $\mathcal{S}^{\textbf{dim}-1}$. This formulation effectively handles the non-convex constraints and linearizes the distance measurement, rendering the gradient descent tractable. We propose a Two-Stage Manifold Optimization algorithm. In Phase I, we employ a Riemannian Expectation-Maximization process with a heavy-tailed kernel to robustly estimate posterior probabilities, effectively resolving the ambiguities of point distribution between intersecting hyperplanes. In Phase II, upon convergence of the soft estimates, the probabilistic weights degenerate into hard matching, generating a precise local optimum that strictly satisfies the geometric definition. Furthermore, we introduce a projected density estimation strategy for initialization to facilitate global convergence by significantly reducing the feature description space and search complexity. Extensive experiments demonstrate that our method outperforms state-of-the-art baselines in both geometric accuracy and robustness.
Authors: Torben Berndt, Elyes Farjallah, Leif Seute, Raeid Saqur, Benjamin Walker, Jan St\"uhmer
Abstract: Recent work on the sequence universality of State Space Models (SSMs) has introduced efficient, maximally expressive continuous-time approaches for time-series modelling. While these works focus on discriminative settings, we extend this perspective to generative time-series modelling by proving that maximally expressive Structured Linear Controlled Differential Equations (SLiCEs) are universal time-series generators, in the sense that they can approximate the induced path laws of continuous causal pushforwards on compact latent sets in $W_\infty$. Building on these theoretical results, we propose Generative SLiCEs (G-SLiCEs), a maximally expressive continuous-time model for flow matching on path-space. Empirically, we show that expressivity improves performance in probabilistic forecasting and downstream tasks, while retaining the advantages of continuous-time models such as generalising to arbitrary observation grids. This is particularly beneficial for irregular grids, where fixed-grid models often struggle.
Authors: Yunwen Lei, Zimeng Wang, Xiaoming Yuan
Abstract: Variance reduction (VR) methods employ stochastic gradients with decreasing variance, and they have been widely applied to solve large-scale optimization problems in machine learning because of their efficiency. Existing theoretical studies of VR methods are mainly focused on the convergence analysis, leaving the generalization behavior largely unexplored. In this paper, we bridge this gap by developing the first non-vacuous generalization analysis of the representative VR method: Stochastic Variance Reduced Gradient (SVRG), through the lens of algorithmic stability. In particular, we establish sharp stability bounds of the SVRG in both convex and strongly convex settings by exploiting its algorithmic structure. The obtained bounds are data-dependent, because the training errors are incorporated along the trajectory. Our analysis clarifies the interplay between optimization and generalization, leading to optimal excess population risk bounds in both settings. Our approach differs substantially from existing analyses of stochastic algorithms in the sense that we decompose the SVRG update as an SGD-like step plus a zero-mean correction term and then introduce novel Lyapunov functions to absorb the additional gradient terms induced by the reference points. Our analytical framework can be generalized to other VR methods, and we demonstrate the generalization by the well-known Stochastic Average Gradient Accelerated (SAGA) method.
Authors: Yunwen Lei, Zimeng Wang, Xiaoming Yuan
Abstract: Stochastic gradient descent with momentum (SGDM) is one of the most widely used optimization algorithms in machine learning. While optimization properties of SGDM have been extensively studied in the literature, it remains insufficiently understood whether and when SGDM can generalize well to unseen data. In particular, it has been conjectured that while momentum accelerates training, it may degrade generalization. In this paper, we close this gap by developing a comprehensive generalization analysis of SGDM through the lens of algorithmic stability. More specifically, we introduce a generalized SGDM framework that encompasses both Polyak's and Nesterov's momentum schemes, and establish tight on-average model stability bounds for smooth and convex problems. Notably, the obtained bounds exploit small optimization error bounds along the trajectory, apply to any momentum parameter in the interval $[0, 1)$, and do not require the commonly assumed Lipschitzness of loss functions. We further derive optimization error bounds for the generalized SGDM, and combine them with our generalization analyses to obtain optimal excess population risk bounds for SGDM with both Polyak's and Nesterov's momentum.
Authors: Jente Van Belle, Honglin Wen, Wouter Verbeke, Pierre Pinson
Abstract: Multi-step-ahead forecasts are often updated as new observations become available, since shorter forecast horizons typically improve forecast quality. However, such improvements come at the cost of forecast instability, i.e., variability in forecasts for the same target period. This instability can trigger costly changes to plans formulated based on the forecasts and may erode trust in the forecasting system. In this work, we integrate forecast stability alongside forecast quality into the training of distribution-free probabilistic time-series forecasting models, allowing us to control this trade-off. We propose a method for generating stabilized forecasted conditional quantile functions using regression splines parameterized by a neural network. This approach enables joint optimization of quality and stability, as it allows us to directly penalize dissimilarities arising from forecast updates. Furthermore, it allows assigning varying importance to stabilizing different parts of the forecast distributions (e.g., central parts vs. tails) to focus on the parts most relevant for the intended downstream use (e.g., the upper tail for inventory management). We empirically evaluate the proposed method on two datasets with different statistical properties and show that it can effectively reduce forecast instability without a substantial loss in forecast quality, and that it can target stabilization effort toward specific parts of the forecast distributions.
Authors: Yaniv Tenzer, Elad Tolochinsky, Yaniv Romano
Abstract: We introduce a testing-by-betting framework that leverages predictions on unlabeled data to enhance the power of sequential hypothesis testing. Given limited samples from the joint distribution of $(X,Y)$, and additional unlabeled samples from the marginal of $X$, we ask how unlabeled data can be used to hypothesize about the distribution of $Y$, and the conditional distribution of $Y\mid X$. We introduce an e-statistic and use it to construct a sequential test. Under standard distributional assumptions -- label shift or concept shift -- we establish that the test is anytime valid. Furthermore, we show that for binary data, the e-statistic has non-trivial power. Crucially, our approach retains these properties even when the underlying predictions are inaccurate. Through simulations and applications to large language models evaluation, we demonstrate power gains over baseline approaches, including prediction-powered inference. These gains persist even with relatively limited unlabeled data and when predictions have low accuracy due to weak correlation between $X$ and $Y$.
Authors: Jos\'e Lucas De Melo Costa, Fabrice Popineau, Arpad Rimmel, Bich-Li\^en Doan
Abstract: Recent Tabular Foundation Models (TFMs) have demonstrated state-of-the-art predictive performance, often surpassing Gradient-Boosted Decision Trees (GBDTs). However, the trustworthiness of these models, particularly their uncertainty quantification, has been largely overlooked. We investigate this gap through an extensive study comparing TFMs, GBDTs, and classical baselines on the 112 datasets of the TALENT benchmark. Our results reveal a performance-uncertainty trade-off: although TFMs achieve the highest predictive performance, measured by AUC, they exhibit lower conditional coverage under conformal prediction, measured by SSCS, compared to GBDTs. Complementary experiments on synthetic datasets further characterize the regimes in which this effect intensifies. We conclude that while TFMs advance predictive frontiers, achieving well-calibrated uncertainty remains a major open challenge for their reliable adoption. Code is available at: https://github.com/jose-melo/high-performance-low-reliability
URLs: https://github.com/jose-melo/high-performance-low-reliability
Authors: Aditya Kommineni, Emily Zhou, Kleanthis Avramidis, Tiantian Feng, Shrikanth Narayanan
Abstract: Evaluating foundation models under appropriate adaptation settings is essential for understanding the quality and transferability of the learned representations. Recent EEG foundation models have demonstrated promising transfer capabilities across tasks and datasets, motivating their growing use in neurotechnology and clinical applications. However, these models are typically evaluated under full fine-tuning on well-curated downstream datasets, a setting that does not reflect biomedical domain constraints such as limited labeled data, reduced sensor coverage, or parameter-efficient adaptation. In this work, we propose a multi-dimensional evaluation framework for assessing EEG models under realistic low-resource conditions. Empirical analysis of both supervised EEG models and recent EEG foundation models, including LaBraM, CSBrain, and CBraMod, across 6 different datasets is performed under the proposed multi-dimensional evaluation framework. We find that EEG foundation models consistently provide performance gains on long-context tasks such as sleep stage prediction and mental health state classification. In contrast, for short-window Brain Computer Interface style tasks, supervised models achieve comparable despite having substantially fewer parameters. Additional analyses demonstrate that current foundation models provide limited robustness to short-window tasks and channel constrained settings. Together, these findings motivate the use of multi-dimensional evaluation protocols that characterize model behavior under realistic use constraints.
Authors: Tue M. Cao, Nguyen Do, My T. Thai
Abstract: Sparse autoencoders (SAEs) have become a central tool for interpreting language models. However, two key SAE analyses that remain difficult to scale are (1) matching semantically similar features across multi-layers and (2) compressing large feature circuits into interpretable supernodes. Although these have been treated as separate problems, we show that both are instances of a more fundamental challenge, which we frame as the estimation of semantic distances between SAE features that lie on different activation manifolds. We introduce a distributional framework for this problem, in which each feature is represented not by a single decoder vector like in the literature, but by an activation-weighted distribution over the hidden states that express it. By projecting these distributions into a shared reference space and comparing them with Wasserstein distance, our method provides a unified semantic metric for cross-layer feature comparison. We prove that our representation is invariant to activation rescaling, stable under perturbations, and recovers true matches under finite-sample margin conditions. Empirically, our method outperforms decoder-vector and LLM-based baselines and captures subtle functional distinctions between related features. Notably, our method compresses large feature circuits into interpretable supernodes automatically.
Authors: Kaivan Kamali, Kajetan Schweighofer, Hormoz Shahrzad, Olivier Francon, Babak Hodjat, Risto Miikkulainen
Abstract: The massive scaling of Large Language Models (LLMs) has made pretraining increasingly cost-prohibitive. While low-rank representation and orthonormal weight matrices could in principle reduce parameter counts and computational overhead, most existing methods rely on static rank selection and do not enforce weight orthonormality due to high computational cost. This paper introduces TSVD, a framework that maintains low rank and strict orthonormality throughout the training process. It utilizes a spectral energy-based heuristic for adaptive rank selection, and a caching mechanisms to maintain orthonormality. Theoretical analysis justifies the advantage of the approach in pretraining dynamics and experiments across various model scales demonstrate that it is effective empirically. TSVD matches or exceeds the performance of full-parameter baselines while significantly reducing compute requirements. The approach thus offers a well-founded, practical, and scalable path toward efficient high-performance LLM pretraining.
Authors: Nicolas Tremblay, Benjamin Ricaud, Filippo Maria Bianchi
Abstract: We propose the Tikhonov layer, a graph neural network layer that is interpretable by design: once trained, its learned parameters directly reveal which node features and which aspects of the graph topology were leveraged for prediction. In practice, the layer's propagation matrix takes the closed-form $R = (p(L)+Q)^{-1} Q$, where $L$ is the normalized graph Laplacian, $Q = diag(q_1,...,q_n)$ a learnable diagonal matrix of positive node-importance scores, and $p(\cdot)$ a learnable polynomial. For any input feature $x$, the layer output $Rx$ is the exact minimizer of a generalized graph Tikhonov problem that trades off node-level data fidelity against a topology-driven regularization penalty. The learned pair $\{\{q_i\},p\}$ constitutes a built-in explanation: large $q_i$ indicates that node $i$'s own features drive the prediction, while small $q_i$ signals reliance on the local graph topology; the shape of $p$ reveals whether homophily, heterophily, or a band-pass response is exploited. Expressivity is preserved by routing complexity through a dedicated, arbitrarily deep Q-network that produces the importance scores, while the Tikhonov layer itself remains transparent. We prove that distinct node-importance matrices yield distinct propagation operators, structurally coupling the explanation to the computation. Additionally, the Tikhonov layer provides, in a single layer, a global receptive field, mitigating both oversmoothing and oversquashing. Experiments on standard graph classification benchmarks confirm that the model matches (and sometimes outperforms) opaque baselines while producing interpretable and faithful explanations.
Authors: Kristi Topollai, Allan Ma, Tolga Dimlioglu, Sui Jiet Tay, Anna Choromanska
Abstract: Communication-efficient distributed optimizers such as DiLoCo reduce synchronization costs by letting workers perform many local updates before aggregating their progress with an outer momentum optimizer. Recent theory suggests that the outer optimizer acts on an effective spectrum induced by the inner optimization loop, and that the choice of outer momentum controls how progress from local updates is accumulated across communication rounds. We study periodic restarting of the outer momentum as a simple complementary mechanism for controlling this outer memory. In a linearized squared-loss model where prediction-space residuals evolve under the empirical NTK, we derive a mode-wise restart contraction showing that resets exploit phase cancellation by discarding stale momentum while preserving inner-loop progress. Toy experiments verify the predicted contraction behavior, and language-model pretraining experiments show that periodic restarts widen the stable range of outer learning rates and momentum values across communication periods.
Authors: Zonghao Chen, Heishiro Kanagawa, Fran\c{c}ois-Xavier Briol, Chris J. Oates, Lester Mackey
Abstract: Several important learning tasks can be formulated as minimizing an entropy-regularized objective over an appropriate space of probability distributions. Mean-field Langevin dynamics (MFLD) facilitate computation in this general context, casting the minimizer as the invariant distribution of a McKean--Vlasov process, which can be numerically discretized using $N$ particles and thus simulated. However, simulating this interacting particle system has computational complexity of order $N^2$. Motivated by recent research into \emph{kernel thinning}, we propose \texttt{KT-MFLD}, in which each particle interacts only with a thinned particle coreset of size $\mathcal{O}(N^{\frac{1}{2}})$. \texttt{KT-MFLD} thus reduces the computational complexity to order $N^{\frac{3}{2}}$ while, under mild regularity conditions, achieving the same convergence guarantees (up to logarithmic factors) as MFLD. Our theoretical analysis is empirically confirmed on tasks including the training of student-teacher neural networks, quantization with maximum mean discrepancy, and computation of predictively-oriented posteriors in a post-Bayesian framework.
Authors: Jiangsheng (Jason), You
Abstract: This note provides an interesting observation on casting partial least square (PLS) as a linearized self-attention so that PLS may be studied within the neural network paradigm. On the other hand, the dimensionality reduction and selection of predictors in PLS may indicate that self-attention includes certain degree of dimensionality normalization toward improved learning.
Authors: Yixiao Huang, Hanlin Zhu, Zixuan Wang, Jiantao Jiao, Stuart Russell, Somayeh Sojoudi, Song Mei
Abstract: Chain-of-Thought (CoT) prompting substantially improves the sample efficiency of transformers, reducing the complexity of tasks like parity learning from exponential to polynomial in the input length. However, generating explicit reasoning steps at inference is computationally expensive. Implicit Chain-of-Thought (ICoT) has emerged as a promising empirical remedy that trains models to internalize intermediate steps within their hidden states, but its theoretical foundations remain poorly understood. We give the first theoretical analysis of ICoT, proving that an $L$-layer transformer trained under our proposed Log-ICoT curriculum learns $k$-parity with $\mathsf{poly}(n)$ samples and $L = \log_2 k$ training stages. This matches the sample efficiency of explicit CoT while eliminating its inference overhead, and extends prior one-layer parity guarantees to multi-layer architectures. Compared to standard ICoT, which removes thinking tokens one at a time, Log-ICoT removes them in geometric chunks, reducing the number of stages from linear in $k$ to logarithmic. Experiments on multi-layer transformers confirm the theory and visualize how reasoning is progressively absorbed into deeper layers.
Authors: Haonan Wen, Hanyang Chen, Songhe Feng
Abstract: Irregular multivariate time series forecasting is critical in many real-world applications, where time series are irregularly sampled and exhibit dynamically evolving missingness patterns. Although existing methods perform well in offline settings, they often suffer from significant performance degradation when deployed online due to dynamic shifts in data distribution. Maintaining forecasting capability in such dynamic scenarios typically necessitates online adaptation techniques. Since irregular sampling fundamentally undermines temporal continuity and periodicity, we cannot leverage these widely studied characteristics from regular MTS for online learning. To this end, we study the problem of online IMTS forecasting and propose Under-Cali, an uncertainty-driven dual-expert calibration framework consisting of three core components: an uncertainty estimator, a dual-expert calibration module, and an adaptive routing module. We design an uncertainty estimator that serves as the core control signal to jointly manage inference and adaptation processes. In our framework, the uncertainty estimator first assesses uncertainty for each incoming batch. The adaptive routing module then directs samples with high uncertainty to the unreliable expert for calibration, while low uncertainty samples remain with the reliable expert. Subsequently, the system updates the reliable expert and the uncertainty estimator using well-calibrated reliable samples, and updates the unreliable expert with challenging samples, enabling stable and efficient online learning. Under-Cali keeps the source forecasting model frozen and performs adaptation only through a lightweight, model-agnostic calibration module, enabling efficient adaptation. Extensive experiments on IMTS benchmarks demonstrate consistent improvements with low computational cost. Our code is available at https://github.com/HaonanWen/Under-Cali.
Authors: Guillaume Larue (Orange Research, Meylan, France), Louis-Adrien Dufr\`ene (Orange Research, Meylan, France), Quentin Lampin (Orange Research, Meylan, France), Hadi Ghauch (T\'el\'ecom Paris, Institut Polytechnique de Paris, Palaiseau, France), Ghaya Rekaya (T\'el\'ecom Paris, Institut Polytechnique de Paris, Palaiseau, France)
Abstract: Parity functions are fundamental Boolean operations with critical applications across machine learning, cryptography, and error correction. Yet, learning high-dimensional parity functions poses significant challenges: in a general setting, standard neural network architectures typically require exponential sample complexity, making gradient-based optimization intractable for large number of inputs $N$. We demonstrate that compact product-based neural architectures combined with stochastic data sparsity (Bernoulli inputs with $p_e \leq 1/N$) and appropriate hyperparameter choice enable efficient parity learning, with theoretical guarantees of convergence. Experiments validate our theory across dimensions up to $N = 100{,}000$, with empirical evidence showing optimal hyperparameter choices for $p_e$ and learning rate $\alpha$, as well as polynomial complexity scaling laws. This work establishes fundamental connections between architectural inductive bias and data sparsity, opening new possibilities for neural arithmetic, structured reasoning, binary neural networks, and machine learning applied to automated protocol discovery.
Authors: Julien Lalanne, David Picard, Lionel Boillot, Lina-Mar\'ia Guayac\'an-Carrillo, Leon Barens, Jean-Michel Pereira
Abstract: Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable models to learn more complex distributions. In this work, we introduce Random Process (RP) Flow, a Flow Matching-based framework that represents the vector field as a neural implicit function. Unlike modern generative methods, our setting involves a single observed field, from which only sparse measurements are available. RP Flow uses Random Fourier Features to learn an implicit signal representation that can be queried at any arbitrary location from a limited set of observations, while encoding uncertainty through ensemble sampling. We propose constructing a Bayesian posterior by GP regression in the source space to generate high-quality samples. Our empirical results demonstrate that this framework generates realistic samples along with calibrated uncertainty estimates, even under challenging conditions such as high frequency, high sparsity, or high dimensionality. These findings position RP Flow as a milestone towards generative models for reconstruction tasks where data is scarce and uncertainty must remain traceable.
Authors: Ziba Jabbar Zare, Ulrich A\"ivodji, Julien Ferry, Thibaut Vidal
Abstract: Hybrid interpretable models combine a transparent component with a black-box model by assigning some examples to the former and deferring the rest to the latter. While this design enables flexible tradeoffs between accuracy and interpretability, it also raises a distinct procedural fairness concern: some demographic groups may systematically receive interpretable decisions, while others are disproportionately routed to a black box. We formalize this issue as Interpretability Coverage Disparity (ICD), a demographic-parity-style measure applied to the routing decision of hybrid interpretable models. Using tools from predictive multiplicity, we study ICD across four hybrid interpretable learning methods, three standard fairness benchmark datasets, and multiple sensitive attributes. Our experiments reveal substantial ICD in intermediate transparency regimes, where both the interpretable and black-box components are actively used. We further show that simple coverage-disparity constraints can significantly reduce ICD in exact hybrid learning methods, with marginal impact on accuracy and sparsity. In several settings, ICD mitigation also improves standard algorithmic fairness metrics. These results show that hybrid interpretable models should be audited not only for predictive fairness, but also for how they allocate interpretability across individuals and groups.
Authors: Jianghao Wu, Jianfei Cai, Weiqiang Wang, Jin Ye, Daniel F. Schmidt, Yasmeen George
Abstract: Reinforcement learning with verifiable rewards (RLVR) can yield large reasoning gains from very few training instances, yet its strong sensitivity to which instances are used makes data selection a central bottleneck. Most existing selection pipelines rely on training-time optimization signals and/or require access to verifiable rewards or ground-truth answers over large candidate pools, which is costly and often infeasible in specialized domains. We study RLVR data selection in a setting where selection must be performed before any RL training and without labels or reward evaluation on the full pool. We propose SHIFT, a one-shot, training-free selector based solely on inference-time hidden-state dynamics. For each candidate instance, SHIFT runs a single deterministic reasoning rollout and computes a reasoning-induced representation shift (RIRS) as the start-to-end hidden-state delta. SHIFT uses the RIRS magnitude as a lightweight proxy for instance utility and enforces coverage via a quality-weighted farthest-first CoreSet procedure in an RIRS-augmented feature space, producing compact subsets that scale to large unlabeled pools. Across mathematical reasoning and medical QA benchmarks under ultra-low budgets, SHIFT consistently outperforms training-free diversity and difficulty/uncertainty baselines, improving both in-domain accuracy and transfer to harder evaluation settings. Ablations show that RIRS-based coverage and quality-weighting contribute complementary gains, and analyses indicate that RIRS is not explained by simple input/output length statistics. Code is available at github.com/JianghaoWu/SHIFT.
Authors: Xiuying Wei, Caglar Gulcehre
Abstract: Efficient inference is critical for long-context language models, where attention computation and KV-cache access dominate the cost. Recent work RAT+, introduces a recurrence-augmented attention backbone that enables flexible dilated attention at inference time. In this paper, we investigate whether this exponentially decaying memory can also improve existing query-aware sparse inference methods. Using representative methods including Quest, MoBA, and SnapKV, we show that RAT+ consistently improves accuracy over standard attention across sparse budgets on eight needle-in-a-haystack tasks. We validate these gains both on the released checkpoints from the RAT+ paper and on OLMo2-7B, which we continue pretraining with the added memory module for 10B tokens. Finally, we propose two hypotheses explaining why this memory module benefits query-aware sparse inference and design targeted experiments to support them.
Authors: Li Lei, Madalina Ciobanu, Qingqing Mao, Ritankar Das
Abstract: LLMs increasingly require surgical model editing to enhance domain-specific capabilities without incurring the computational cost or catastrophic forgetting associated with full fine-tuning. Sparse Autoencoders (SAEs) have emerged as a promising tool in this setting, in principle allowing for feature-level identification of where to intervene. In this work, we rigorously evaluate an SAE-guided editing pipeline for mathematical reasoning on Gemma-3-4B-IT and uncover a fundamental failure mode: the intuitively appealing approach of projecting task vectors onto SAE feature subspaces acts as an information bottleneck that discards approximately 97% of the modification energy, yielding no statistically significant improvements across seven math subjects. We show that this failure stems from a geometric misalignment between activation-space SAE directions and weight-space task vectors. We then propose a shift in perspective: SAE as a Stethoscope, Not a Scalpel, where SAEs are used for layer-level diagnosis rather than intervention-level filtering. By injecting unfiltered raw task vectors only into layers identified by an SAE-derived specificity score, we improve Number Theory accuracy from 29.6% to 39.4% (z=+3.41, p=0.0007) on the Minerva Math benchmark; 5 of 7 math subjects significantly improved and none significantly degraded. Our method is fully deterministic, requires no additional inference cost, and provides a principled framework for interpretability-guided model editing.
Authors: Manuel Dileo, Andrea Sottoriva
Abstract: Biological foundation models have shown strong performance in single-cell representation learning by applying transformer architectures directly to gene-expression matrices. However, these approaches predominantly operate in static settings and do not explicitly model the temporal evolution of developmental programs in the cell. Modeling such dynamics is important for understanding how cellular states progressively emerge, differentiate, and reorganize during development or disease progression. In this work-in-progress paper, we investigate an alternative temporal graph-based perspective in which cellular states are represented through pseudotime-resolved gene regulatory networks and modeled as evolving graph structures over persistent gene identities. Starting from single-cell transcriptomic data, we infer pseudotime trajectories, discretize cells into developmental snapshots, reconstruct one gene regulatory network per snapshot, and apply temporal graph neural networks to forecast biological states. We evaluate this framework on two publicly available mouse developmental datasets, erythroid gastrulation and pancreatic endocrinogenesis, considering three complementary tasks: gene-expression forecasting, link prediction, and out-degree centrality prediction. Our results show that graph-based models outperform well-known foundation-model such as scGPT and scFoundation, suggesting that explicitly modeling evolving regulatory structure provides useful information beyond static pretrained representations. For link prediction and centrality forecasting, temporal graph learning captures non-trivial regulatory dynamics and enables the identification of temporally important gene hubs. Overall, our findings support temporal graph learning as a promising direction for modeling dynamic biological systems and as a complementary paradigm to current foundation model approaches in single-cell biology.
Authors: Vijeta Deshpande, Tootiya Giyahchi, Veena Padmanabhan, Leman Akoglu, Anna Rumshisky
Abstract: Safety detection models require examples of HHH (Helpful, Harmless, Honest)-violating outputs for robust generalization, however such examples are scarce. Activation Steering (AS) has emerged as a data-efficient method for generating target-concept-aligned responses. We investigate whether AS can generate high-quality training datasets for downstream classifiers, a question that remains untested. We present a two-fold study with intrinsic and extrinsic evaluation across $4$ concepts $\times\,2$ models $\times\,4$ steering methods. Intrinsically, beyond the field-standard rubric of steering success (concept alignment) and coherence, we introduce sample- and set-level diversity as a quality axis previously absent from the literature, and find that increasing steering strength reduces response diversity. Extrinsically, we replace HHH-violating examples in the available training data with steered generations and fine-tune detection classifiers. AS-generated data results in a better classifier than the prompting-generated data on $3$ of $4$ concepts. However, only $41$ of $136$ AS configurations outperform prompting, indicating that downstream utility lies in a narrow regime that jointly satisfies success, coherence, and diversity. The harmonic mean of these three axes correlates with downstream AUROC more consistently across concepts than success and coherence alone, providing a practical heuristic target for practitioners tuning AS hyperparameters. Together, our results highlight the potential of AS in synthetic data generation for improving safety detection and identify diversity as a critical, previously overlooked axis for tuning AS.
Authors: Mingjie Hu, Jian-Qiang Hu, Enlu Zhou
Abstract: Data acquisition efficiency is a central challenge in deploying reinforcement learning in business and healthcare operations, where interactions are costly, slow, and often involve humans in the loop. This paper develops a unified large deviations framework for data acquisition in infinite-horizon reinforcement learning. We introduce the exponential decay rate of the policy-selection error probability as a principled efficiency metric and derive a variational characterization of this rate via large deviations theory for Markov chains, yielding a nested optimization problem. Based on this characterization, we formalize two complementary notions of optimality in terms of the optimal solution of the nested problem. Because the resulting program is implicit and generally intractable, we propose a tractable convex relaxation with explicit constraints. We then develop a lazy one-step projected subgradient method to solve the relaxed problem and use its iterates to construct an adaptive data acquisition policy. We prove that the resulting reinforcement learning algorithm is near-robustly optimal under our optimality criterion, up to a constant factor. Finally, we extend the framework to linear function approximation to improve scalability, and numerical experiments support the effectiveness of the proposed approach.
Authors: Jack Timmermans, Sergio A. Alvarez
Abstract: We consider $L^2$-regularized linear (ridge) regression over a finite data sample $X$ with bounded covariance and linear prediction targets $y$ with additive isotropic noise of finite variance. We present an iterative procedure to compute the optimal regularization strength numerically from the generative parameters in the fixed-$X$ setting and prove its convergence at limited noise levels. Our experimental evaluation over synthetic data shows that the proposed procedure combined with sample-based parameter estimates attains near-optimal random-$X$ generalization across a wide range of sample sizes, aspect ratios, and noise levels, at an added computational cost equivalent to one preliminary ridge regression in the underparameterized regime and two in the overparameterized case.
Authors: Amirpasha Hedayat, Ali Mohaghegh, Laura Balzano, Cheng Huang, Karthik Duraisamy
Abstract: Reduced-order models (ROMs) can accelerate high-dimensional dynamical simulations, but their accuracy often deteriorates when online dynamics leave the regime represented by offline training data. We develop a projection-based adaptive ROM framework based on incremental singular value decomposition (iSVD), in which occasional full-order operator evaluations provide correction snapshots for online basis updates. The intrusive ROMs considered here are fully parameterized by the basis, so each update naturally propagates to reduced operators and hyper-reduction machinery. Through its evolving singular structure, iSVD retains an encoded history of the observed dynamics and is history-aware in this sense. We study the method on three nonlinear problems of increasing complexity: the one-dimensional viscous Burgers equation, the Sod shock tube, and a stiff one-dimensional ten-species rotating detonation engine (RDE). The Burgers problem is used to analyze the method and compare iSVD with alternative basis adaptation rules, showing that history-aware updates outperform instantaneous updates and that iSVD gives the strongest overall performance. The Sod and RDE cases demonstrate that these advantages persist in more challenging compressible-flow settings. For the RDE problem, the iSVD adaptive ROM improves upon the current state-of-the-art Direct adaptive ROM baseline in both predictive accuracy and computational efficiency. A cost analysis shows that the dominant online cost comes from interacting with the full-order model to obtain correction snapshots, while the iSVD update itself is negligible. These results identify iSVD as an effective mechanism for online learning of reduced subspaces and suggest a path toward ROMs that remain predictive over horizons several orders of magnitude longer than their initial training window.
Authors: Yeachan Park, Geonho Hwang, Wonyeol Lee, Sejun Park
Abstract: Most existing expressivity theories for neural networks assume exact real arithmetic, whereas practical neural networks are executed under finite-precision floating-point arithmetic with implementation-dependent execution semantics. Recent works have begun studying the expressive power of floating-point neural networks, but existing results are limited to highly restricted activation functions and idealized assumptions such as fixed left-to-right reduction orders and correctly rounded activation implementations. In this work, we study the expressive power of floating-point neural networks under generalized floating-point execution semantics, including arbitrary reduction orders and inexact activation implementations with bounded ulp errors. We investigate when floating-point neural networks can represent arbitrary functions between floating-point domains exactly. To this end, we introduce a general distinguishability framework and show that the ability to distinguish every pair of distinct inputs in the first layer is necessary for universal representability. This characterization yields broad classes of activation implementations that are not universal representators, extending previous isolated counterexamples such as the correctly rounded cosine activation. We further prove that a suitable form of distinguishability is also sufficient for universal representability under mild conditions on the activation implementation. Using this framework, we establish universal representability results for a broad class of practical activation functions, including implementations of $\mathrm{Sigmoid}$, $\tanh$, $\mathrm{ReLU}$, $\mathrm{ELU}$, $\mathrm{SeLU}$, $\mathrm{GeLU}$, $\mathrm{Swish}$, $\mathrm{Mish}$, and $\sin$, under significantly more realistic floating-point execution models than previously known.
Authors: Guangyu Li, Meng Ding, Lijie Hu
Abstract: In-context learning (ICL) derives its power from enabling Large Language Models to adapt to new tasks via prompt-based reasoning alone, entirely bypassing the need for parameter updates. Existing theories primarily study ICL in single-task settings, while real-world prompts often contain sequences of heterogeneous tasks, leaving a gap in understanding whether Large Language Models implicitly perform continual learning during inference. To bridge this gap, we propose the first theoretical framework for in-context continual learning, modeling how a pretrained Transformer processes multiple sequential tasks within a single prompt through shared attention mechanisms. Focusing on linear and masked linear self-attention, we derive error expressions for model predictions under sequential task prompts and analyze their generalization and forgetting behavior. Our results reveal that standard attention mechanisms inevitably induce intertask interference by uniformly or causally aggregating historical contexts, leading to systematic bias. We further provide a bias-variance-interference decomposition of prediction error, characterizing when historical in-context information yields positive transfer or provable negative transfer. This analysis exposes fundamental limits of attention-based continual inference and offers theoretical explanations for order sensitivity and performance degradation in long prompts.
Authors: Jiawei Zhang, Ziyuan Liu, Leon Yan, Zhenyu Xiao, Yuantao Gu
Abstract: The distortion-perception (D-P) tradeoff is a fundamental phenomenon of Bayesian inverse problems, which characterizes the inherent tension between distortion performance and perceptual quality. Enabling flexible traversal of the D-P tradeoff at inference time is crucial for practical applications. Despite the recent success of diffusion models in zero-shot inverse problem solving, efficient and principled strategies for D-P traversal in diffusion-based inverse algorithms remain inadequately characterized. In this paper, we propose a stage-wise framework for realizing D-P traversal using a single diffusion model in zero-shot inverse problems. Our proposed method, termed MAP-RPS, starts with an MAP estimation stage that approximates the MMSE solution and provides a low-distortion initialization, followed by a re-noised posterior sampling stage that progressively improves perceptual quality. We provide theoretical analyses for both stages, establishing the validity and effectiveness of the proposed design. Furthermore, we extend MAP-RPS to the latent space, yielding LMAP-RPS, which enjoys broader applicability by leveraging large-scale pre-trained latent diffusion backbones. Extensive experiments demonstrate that MAP-RPS and LMAP-RPS enable more effective D-P traversal on various tasks, while also exhibiting strong performance as efficient solvers for real-world inverse problems.
Authors: Tirtharaj Dash
Abstract: Tabular data in knowledge-rich domains often carries a latent prior in the form of Boolean implication relationships (BIRs) between pairs of features. We mine such relationships with a sparse-exception binomial test. The mined implications form a typed directed graph, equivalent to a propositional rule base of 2-literal clauses. We encode this graph as the connectivity of a layered neural network, called BIRDNet, in which each hidden unit corresponds to one mined rule and binds only to its two features. We show two consequences of this design: First, the architecture is sparse by construction: at most $2/d$ of the weights in each BIR layer are active, where $d$ is the input dimension. Second, the model is interpretable: every trained unit keeps a stable symbolic identity, so rules can be read off the network without surrogate models. Unlike most neurosymbolic models, BIRDNet does not consume an external rule base; its structural prior is mined from the data. We evaluate BIRDNet on six transcriptomic and proteomic benchmarks. Our results show that BIRDNet stays within 0.02 AUROC of the strongest dense baseline, at a small accuracy cost, while using up to $96\times$ fewer active parameters than an architecture-matched dense MLP. First-layer rules recover known biological signatures across multiple cancer subtypes and tissue types, including canonical amplicons, lineage-defining co-expression modules, and immune-infiltration markers. Data and code are available at: https://github.com/MAHI-Group/BIRDNet.
Authors: Kunhao Zheng, Pierre Chambon, Juliette Decugis, Jonas Gehring, Taco Cohen, Benjamin Negrevergne, Gabriel Synnaeve
Abstract: Linear interpolation between fine-tuned checkpoints has been shown to trace the Pareto front between competing objectives, but whether extrapolative weight averaging can extend such frontiers to new checkpoints useful at inference time, without additional RL training, remains unclear. We study this question in RL for competitive programming, where hidden unit tests under time and memory limits enforce both functional correctness and computational efficiency. Starting from a shared initialization, we train checkpoints under nested unit-test coverage: low-coverage rewards require passing smaller-input tests, while high-coverage rewards require passing progressively larger tests up to the full suite. This sweep reveals the emergence of a correctness-efficiency frontier: on hard problems, higher-coverage reward reduces optimization failures but increases correctness failures, leaving solve rate nearly unchanged. Interpolation between low- and high-coverage checkpoints recovers this frontier, while extrapolation extends it beyond the trained endpoints. Both the frontier and its extrapolative continuation appear across three inference settings, pure reasoning, tool use, and agentic coding, and across two model scales, 32B and 7B. At the problem level, moving along the frontier changes which problems are solved, making extrapolated checkpoints complementary policies in inference-time scaling. Ensembles with extrapolative weight averaging broaden coverage and improve pass@250 on LCB/hard by 3.3% over the best single checkpoint at matched sample budget. These results show that nested unit-test coverage in code RL induces a frontier that extrapolative weight averaging can navigate, extend, and exploit.
Authors: Zelin Li, Caiwen Ding
Abstract: Zeroth-order (ZO) fine-tuning is attractive for large language models because it replaces backpropagation with forward objective evaluations. Existing implementations nevertheless execute ZO algorithms inside conventional training loops, even though their dominant work is repeated scoring under nearby parameter states. This creates a workload-runtime mismatch: the algorithm asks for structured inference-style scoring, while the system exposes a sequence of fragmented training-loop steps. We show that LLM ZO fine-tuning is an inference-dominated workload and execute its repeated scoring phase through a serving runtime. On OPT-13B SST-2, the resulting vLLM execution path completes the 20k-step LoZO run in 0.51 estimated training hours versus 4.15 hours for the official LoZO baseline under the matched LoRA-only setting, an 8.13x speedup, while reaching 0.922 final evaluation accuracy and 0.931 final full-validation accuracy. In core-step scaling experiments across OPT-1.3B to OPT-13B, the same runtime reorganization gives 2.34x--7.72x speedups. A MeZO-style high-rank factorized experiment shows that the same runtime paradigm can track a MeZO-like loss trajectory while running up to 2.55x faster. More broadly, representing ZO updates as dynamic adapter states suggests a practical path toward inference-time training, where lightweight adaptation can be scheduled as an inference-like workload rather than as a separate training job.
Authors: Mehryar Mohri, Yutao Zhong
Abstract: Many real-world classification tasks require predicting multiple labels per instance, necessitating the optimization of complex evaluation metrics such as the $F$-measure and Jaccard index. While the Empirical Utility Maximization (EUM) framework is natural for these population-level metrics, existing theoretical results are largely limited to asymptotic Bayes-consistency. In this paper, we develop principled learning algorithms for optimizing a broad class of generalized metrics within the EUM framework, grounded in the stronger notion of $H$-consistency. Our key contribution is the design of novel surrogate loss functions for multi-label learning that admit provable $H$-consistency bounds, enabling optimization with non-asymptotic guarantees tailored to the hypothesis class and finite samples. Crucially, we prove these combinatorially formulated surrogates decompose exactly, operating in strictly $O(l)$ time without approximations. Building on this foundation, we introduce MMO (Multi-Label Metric Optimization), a new family of algorithms for optimizing generalized linear-fractional metrics. We validate our approach through extensive experiments, demonstrating robust scalability and superior performance over state-of-the-art continuous baselines on large-scale datasets (MS-COCO, Reuters-21578) in high-sparsity, deep learning regimes. Our results offer both theoretical rigor and practical effectiveness for general multi-label metric optimization.
Authors: Kevin Y. Li, Asher Trockman, Ananda Theertha Suresh, Ziteng Sun
Abstract: Softmax attention is the cornerstone of modern large language models, but its memory scales linearly and compute quadratically with sequence length. Linear recurrent models, such as linear attention and state space models, have become widely studied as alternatives to attention due to their linear compute and constant memory. While these sub-quadratic token mixing methods, or mixers, achieve promising efficiency gains and competitive results on a wide range of benchmarks, current linear recurrent models still lag behind on tasks that require long-context retrieval or in-context learning. A growing body of work studies hybrid architectures that attempt to mitigate these trade-offs by statically interleaving or merging attention and recurrent blocks. In this work, we explore a new axis of developing hybrid models: across the token sequence. We propose Oryx, a hybrid model that can, throughout a sequence, flexibly switch between different mixers, for example quadratic attention for rich context utilization and linear recurrences for efficient generation. Oryx ties at least 90% of its parameters across mixers, enabling attention and recurrent modes to operate over shared internal representations. We validate our design with Mamba-2 and Gated DeltaNet variants, up to 1.4B models. Under fixed token budgets and a mixed-training strategy, Oryx achieves comparable or better performance than its single-mixer baselines. At the 1.4B scale, all instances of Oryx outperform their respective baselines by at least 0.7 percentage points on averaged language modeling tasks. On retrieval tasks, Oryx achieves performance comparable to the Transformer baseline even when processing only a tiny fraction (<10%) of the tokens in attention mode. These results suggest that attention and linear recurrent models can share internal representations, and motivate sequence-axis hybridization as a promising direction.
Authors: Suji Kim, Kangsan Kim, Sung Ju Hwang
Abstract: Computer-use agents (CUAs) have recently made substantial progress, but deploying a separate large expert for each software domain remains expensive. Small open computer-use agents are more practical specialization targets, but they remain substantially weaker and exhibit uneven domain-specific failures. A straightforward remedy is to synthesize large-scale training data for the target domain, yet we find that this naive approach yields only marginal improvements. Building on this observation, we introduce LearnWeak, an annotation-free specialization framework for small computer-use agents that uses a stronger reference agent to identify the student's weaknesses in the target domain, synthesize targeted tasks, and construct supervision automatically. LearnWeak further introduces an error-aware specialization objective that disentangles planning and execution errors, enabling more behaviorally precise updates than broad uniform supervision. On OSWorld, LearnWeak achieves average gains of 11.6 and 11.1 percentage points over EvoCUA-8B and OpenCUA-7B, respectively, across eight domains. We also validate that our student-aware dataset generation and training approaches outperform existing autonomous trajectory generation and training baselines. Our work highlights the importance of student awareness in both data synthesis and agent training, pointing toward a more principled and efficient path for specializing small computer-use agents in diverse domains.
Authors: Audrey Chan, Aaron Labb\'e, Jacob Lavoie, Jordan Bannister, Ars\`ene Fansi Tchango, Guillaume Lajoie, Laurent Charlin
Abstract: Functional music applications, from consumer focus and sleep aids to clinical interventions, share a distinctive recommendation problem: success is defined by the listener's affective state, but online experimentation on emotion is ethically constrained, particularly for clinical populations who cannot reliably skip a song or report distress. We describe AMRS, the Affective Music Recommendation System deployed on LUCID's health-and-wellness platforms, which serve clinical users (primarily older adults with neurocognitive conditions) and consumer-wellness users across energize, focus, calm, and sleep modes. AMRS is built around a rollout-based world model: a causal transformer trained on logged listening data to jointly predict engagement, binary rating, and self-reported valence and arousal. The world model serves both as an in-silico simulator for offline policy training and as a stress-testing tool before deployment. A recommender policy initialized by behaviour cloning is fine-tuned offline with Direct Preference Optimization (DPO) against a configurable multi-objective utility function. Under a strict cold-start protocol, the world model predicts both behavioural and affective signals with usable fidelity; DPO improves predicted valence and arousal over the cloned baseline while maintaining a similar diversity profile and avoiding the distributional collapse produced by greedy optimization. We position the work as an early deployed validation of a methodology for affective recommendation when online experimentation is ethically untenable.
Authors: Yangyi Huang, Ruotian Peng, Zeju Qiu, Jiale Kang, Yandong Wen, Bernhard Sch\"olkopf, Weiyang Liu
Abstract: Parameter-efficient finetuning (PEFT) has become the standard approach for adapting large language models, yet evaluations largely emphasize downstream accuracy while overlooking the retention of pretrained capabilities. We argue that PEFT should be assessed through the stability-plasticity dilemma: the trade-off between target-task adaptation and resistance to forgetting. We introduce PEFT-Arena, a benchmark that jointly measures downstream performance and general capability retention. Across methods, we find distinct stability-plasticity profiles; under comparable parameter budgets, orthogonal finetuning achieves the most favorable Pareto frontier. To explain these differences, we analyze PEFT updates from two geometric perspectives. In weight space, spectral analysis reveals how parameterizations interact with the pretrained singular-value structure. In activation space, retention metrics show whether finetuning preserves or distorts general-capability representations, with forgetting linked to non-isometric representation distortion. Finally, an analysis shows that final SFT checkpoints often overshoot a better target-retention operating point. Inspired by this, we present case studies of a post-hoc improvement with path-wise rewinding.
Authors: Hudi He, Fukun Wang, Zhe Wang, Xinyi Wang, Shuhan Ye, Jiarui Liu, Qing Qing, Ziqi Xu, Xikun Zhang, Renqiang Luo
Abstract: Evaluating fairness in Spiking Neural Networks (SNNs) demands rigorous benchmarks that reflect real-world complexities, yet existing assessments remain limited by superficial dataset diversity and idealized hardware assumptions. This work introduces the first systematic fairness benchmark for SNNs, addressing three critical dimensions of realism: (1) demographic coverage gaps in training data, (2) spurious feature leakage (e.g., skin tone as a proxy for class labels), and (3) deployment-environment mismatches (e.g., edge devices with constrained spike encoding). Our framework integrates four cross-demographic datasets with controlled bias injections and three neuromorphic hardware simulators (Loihi 2, SpiNNaker), enabling isolated analysis of fairness-performance trade-offs under resource constraints. Standardized evaluations of 12 state-of-the-art SNNs reveal stark disparities: models trained on biased data exhibit 23\% higher false positive rates for underrepresented groups, while hardware limitations (e.g., reduced spike precision) further amplify accuracy gaps by up to 41\% in edge deployments. Critically, bias mitigation strategies developed for cloud-based SNNs often degrade under resource constraints, highlighting the need for co-design principles that jointly optimize fairness and hardware efficiency. By bridging algorithmic fairness research with neuromorphic engineering, our benchmark provides a foundation for trustworthy SNNs in socially critical applications such as healthcare and autonomous systems. Our code is available at: https://anonymous.4open.science/r/SNN-Benchmarks-8017.
URLs: https://anonymous.4open.science/r/SNN-Benchmarks-8017.
Authors: Chanyoung Kim, Myeonghwan Seong, Yujin Kim, Daniel K. Park, Youngjoon Hong
Abstract: Partial differential equations (PDEs) are central to modeling physical and engineering systems, but repeatedly solving parametric PDEs remains computationally expensive. Operator learning enables fast surrogate inference, yet typically requires large input-output paired datasets generated by costly high-fidelity PDE solvers. Unsupervised operator learning frameworks alleviate data dependency but remain hindered by computational bottlenecks. To address this, we propose Neural Variational Quantum Linear Solver (NVQLS), the first hybrid quantum-classical operator learning framework leveraging the Legendre--Galerkin weak formulation. We critically resolve the sign ambiguity in VQLS energy minimization, preventing erroneous solution representations. Additionally, we introduce a neural embedding, a novel encoding scheme to map varying forcings and PDE coefficients into parameterized quantum circuit representations. These structural innovations provide theoretical computational complexity advantages under efficient state preparation schemes, while achieving superior accuracy compared to a representative classical baseline. Validations on 1D and 2D parametric PDEs under diverse boundary conditions demonstrate NVQLS's capability to simultaneously process varying inputs, offering a scalable unsupervised approach to quantum-enhanced operator learning.
Authors: Shuhan Ye, Yi Yu, Qixin Zhang, Hui Lu, Jiaming He, Qinggang Zhang, Li Shen, Xudong Jiang
Abstract: SNNs promise energy-efficient and low-latency inference, but their performance still trails that of ANNs. ANN-to-SNN knowledge distillation helps narrow this gap, yet the original training data are often unavailable in practical deployment settings. Existing data-free knowledge distillation (DFKD) methods synthesize surrogate data by matching teacher-side priors, especially BN statistics, but these ANN-oriented constraints mainly regularize mean and variance and therefore remain under-constrained for SNN students whose responses depend on threshold-crossing dynamics. In this paper, we propose Spike Tail-Aware Relational Synthesis (STARS), a plug-and-play method for ANN-to-SNN DFKD that augments standard BN-guided synthesis with two complementary objectives: Relational Consistency Alignment, which preserves cross-sample relational consistency between teacher and student, and Tail-Aware Regularization, which regularizes threshold-relevant tail probabilities through soft exceedance over teacher-derived thresholds. Together, these objectives generate synthetic batches that remain teacher-valid while becoming more informative for SNN students. Experiments on CIFAR-10, CIFAR-100, and Tiny-ImageNet across multiple ANN-SNN pairs show that our method consistently improves conventional DFKD baselines and even surpasses several KD methods, with gains of up to 4.6\% on CIFAR-10 and 6.7\% on CIFAR-100, highlighting the importance of complementing BN matching with relational and tail-aware constraints in SNN-oriented DFKD.
Authors: Tung Dao, Son Tran, Huynh Thi Thanh Binh
Abstract: Variational Quantum Algorithms (VQAs) are a leading approach to exploiting near-term quantum hardware, leveraging parameterized quantum circuits and classical optimization to achieve advantage. Despite their promise, the practical deployment of VQAs is challenged by the difficulty of designing quantum circuit architectures that balance expressivity, trainability, and hardware constraints. Existing evolutionary-based quantum neural architecture search methods address these challenges but suffer from high computational costs due to repeated training of candidate circuits. In this work, we identify a setting in which the Gram matrix of the Quantum Neural Tangent Kernel converges. Building on this observation, we design a zero-shot surrogate model to estimate candidate performance without full training, significantly accelerating the architecture search process. Using this surrogate, we propose MZeQAS, a Monte Carlo Tree Search (MCTS)-based Zero-Shot Quantum Neural Architecture Search framework for VQAs. By integrating proxy-based performance estimation with MCTS exploration, MZeQAS efficiently discovers high-performing architectures. Experimental results demonstrate that MZeQAS outperforms existing approaches in terms of both search efficiency and solution quality, providing a scalable and effective framework for advancing VQA deployment on noisy intermediate-scale quantum devices.
Authors: Amine Boukhari, Boglarka Ecsedi, Laszlo Papp, Mathieu Hatt
Abstract: Aim/Introduction: Distance-encoding biomorphic-informational neural network (DEBI-NN) is a recently proposed architecture in which connection weights are defined by the distances between neurons positioned in a Euclidian space. This approach drastically reduces the number of trainable parameters compared to classical neural networks in which weights are directly trained. The training process for DEBI-NN is based on a genetic algorithm (GA), rather than gradient descent (GD) which remains the prevailing optimization algorithm in deep learning. We aim to design and implement a GD learner for DEBI-NN and assess its performance compared to GA. Materials and Methods: We designed a spatial backpropagation scheme tailored to DEBI-NN and carried out a comparison between GD and GA for classification tasks, using a synthetic non-linear "two-moons" dataset, two clinical medical imaging radiomic datasets and a fetal cardiotocography dataset with a sample sizes ranging from n=85 to n=2126. Each optimizer was tuned through targeted hyperparameter searches adapted to each dataset. Results: Across all experiments, GA consistently produced superior decision boundaries and classification performance (Synthetic: 100% vs 83%; DLBCL: 83% vs 78%; HECKTOR: 80% vs 67%; Fetal: 81% vs 66%), whereas GD exhibited instability and failed to fully capture the non-linear patterns inherent to DEBI-NN's spatial encoding. The entangled gradients resulting from neuron interdependencies limit the effectiveness of classical backpropagation. Conclusion: These findings highlight fundamental limitations of gradient-based methods in architectures with highly interdependent spatial parameters and confirm the suitability of evolutionary strategies for training DEBI-NN.
Authors: Feifan Zhou, Xiang Wei, Yang Liu, Qiang Yu
Abstract: Spiking Neural Networks (SNNs) have emerged with promising energy-efficient property, yet a substantial performance gap persists compared to Artificial Neural Networks (ANNs). This gap stems from at least two key limitations: first, conventional spiking neurons offer limited information representation capacity, underutilizing the rich dynamics of membrane potentials; second, fixed surrogate gradient (SG) functions across time steps leads to imprecise gradient propagation, impeding effective direct training. To address these two challenges, we propose a new direct training algorithm with three core innovations: first, a circulate-firing spiking neuron model that enhances information representation capacity by leveraging membrane potentials more effectively; second, a time-step-wise learnable surrogate gradient function, enabling accurate gradient estimation during backpropagation; third, a positive-negative balanced loss function to achieve equilibrium between positive and negative membrane potentials and further boost SNN performance. Extensive experiments demonstrate that our methods achieve competitive performance across multiple datasets. Our methods can generalize seamlessly to advanced architectures of Transformer, consistently outperforming existing methods. Our work highlights the effectiveness of further harnessing intrinsic membrane dynamics of SNNs for performance improvement, and thus open a new avenue for advancing high-performance spiking neural architectures.
Authors: Aakar Mathur, Mohammed Ruknuddin, Ashish Gupta
Abstract: Quantum Federated Learning (QFL) inherits the core vulnerability of federated optimization to malicious clients, while also introducing an attack surface from variational circuit training and measurement-driven gradients. This work proposes a novel CircUit-Level backdoor Threat (CULT) model that formalizes four stealthy attacks by exploiting quantum-aware mechanisms, including Grover, Pauli, Bit-flip, and Sign-flip. By enabling malicious clients on both in-training and post-training surfaces, these attacks can critically undermine the learning process. We establish a rigorous theoretical foundation to demonstrate attack stealthiness under standard smoothness assumptions. Experiments on the MNIST and CIFAR-10 datasets with non-IID splits and varying fractions of malicious clients show that even a single malicious client can induce severe accuracy degradation under FedAvg aggregation. While popular defenses, including Krum, Multi-Krum, FoolsGold, FLGuardian, and Mud-HoG, reduce degradation in many regimes, they fail to eliminate worst-case failure cases, where accuracy drops up to 50\%. The experimental analysis further reveals that under the CULT model, malicious updates effectively mask their presence by staying close to benign norms, thereby helping attackers evade detection.
Authors: Wenjing Xiao, Jiatai Yan, Chenglong Shi, Shixin Chen, Miaojiang Chen, Min Chen, Saif Al-Kuwari, Ahmed Farouk
Abstract: With the advent of sixth-generation (6G) mobile communication technology, vehicle-to-everything (V2X) communication faces unprecedented challenges in communication efficiency, system generalization capabilities, and model collaboration. Conventional machine learning struggles with high-dimensional state spaces, slow convergence, and poor generalization under heterogeneous V2X nodes, rapidly varying channels, and multimodal sensing data in V2X systems. To address these issues, we propose a quantum-enhanced framework for V2X communication and model aggregation that targets efficient, robust, and intelligent transportation in 6G, which includes four modules: the channel-adaptive semantic communication module, the multimodal fusion module, the model transfer module, and the federated aggregation module. Specifically, the channel-adaptive semantic communication module leverages quantum convolutional neural networks (CNN) and quantum distortion metrics to enable efficient transmission and strong generalization across diverse conditions. The multimodal fusion module exploits quantum attention and entanglement to compress features and associate semantics across heterogeneous data. The model transfer module employs quantum reinforcement learning to model decision-making and improve adaptability in dynamic environments. The federated aggregation module integrates quantum tensor decomposition with backpropagation-based corrections to provide privacy preservation with low overhead and to strengthen global model robustness. This work outlines a new paradigm for communication and model collaboration in future 6G intelligent transportation.
Authors: Ping Liu, Qianqi Shen, Jianqiang Shen, Chunnan Yao, Kevin Kao, Rajat Arora, Dan Xu, Baofen Zheng, Yunxiang Ren, Benjamin Le, Ali Hooshmand, Igor Lapchuk, Juan Bottaro, Raghavan Muthuregunathan, Caleb Johnson, Liangjie Hong, Jingwei Wu, Wenjing Zhang
Abstract: Query understanding in large-scale industrial search systems is typically implemented as a cascade of disparate, task-specific components. While individually optimizable, this fragmented architecture incurs high maintenance overhead and results in inconsistent behaviors, particularly for long-tail queries. In this work, we propose and deploy a unified structured query understanding system that consolidates these heterogeneous functions into a single Small Language Model (SLM) that performs schema-constrained generation. To address the data bottlenecks inherent in unified modeling, we introduce Query Illuminator, a dual-purpose framework serving as: (i) a teacher model for high-quality auto-annotation and distillation, and (ii) a surrogate judge for scalable evaluation where human labels are scarce. We validate this approach through extensive offline and online tests within LinkedIn's Job Search system. Furthermore, we demonstrate the framework's horizontal extensibility through a cross-domain case study on People Search. The results show improved user engagement and reduced operational costs, achieved while satisfying strict low-latency serving constraints on limited GPU resources.
Authors: Yevgeny Tkach
Abstract: Modern industrial recommender systems use a deep ranking model to score N candidates against the same user and context features. Standard implementations broadcast context features early in the forward pass, redundantly computing context-only operations N times per request. We present a rank-aware decomposition applicable to the dominant interaction mechanisms in modern recommender architectures-Factorization Machine (FM) pairwise products, Deep Cross Network (DCNv2) cross layers, self-attention, and fully connected (FC) projection layers-built on a single algebraic principle: any linear or bilinear operation over a rank-partitioned input admits an exact block decomposition that moves context-only computation from once-per-candidate to once-per-request, identity-equivalent to the original model. Closed-form analysis and controlled ablation verify that savings scale quadratically with the number of context features. Applied to a production DLRM-style ranker without any architectural change, the decomposition increases per-pod throughput by 87.5% (a 47% reduction in peak pod count) at identical model predictions. The identity-equivalent decomposition applies only at the first layer of cross networks and self-attention, since each layer mixes ranks in its output. To extend savings across depth, we further introduce rDCN, an architectural variant of DCNv2 that maintains rank discipline across depth and matches DCNv2 accuracy within training noise at 67% fewer total FLOPs, and sketch an analogous architectural variant for self-attention.
Authors: Yongjin Cui, Xiaohui Fan, Huajun Chen
Abstract: Transformer has significantly propelled the development of artificial intelligence, and certainly the development of agents as well. We categorize attention structures of Transformer into two types based on the source of the input information: homogenous and heterogenous attention structures. Heterogenous attention structures, with co-attention as a typical example, process information from different sources. Heterogenous attention structure is the foundation for Transformer models to achieve more complex functions and integrate more modal information. Whether for research purposes or policy requirements, the interpretation of Transformer models with heterogenous attention structures is an important task. The fusion of information from different sources brings new challenges. Our work mainly includes two parts: method and experimentation. In terms of method, we propose an interpretation method for Transformer models with heterogenous attention structures. In terms of experimentation, based on our experimental analysis paradigm, we interpret the operating mechanisms of representative models, conduct semantic interpretation and logical interpretation.
Authors: Nicole Koenigstein
Abstract: Multi-agent systems built on large language models (LLMs) require many coordination choices that are difficult to fix a priori: which skill protocol to invoke, which agent role should perform a subtask, which model to bind to each role, how roles should interact, when to use retrieval or verification, and when to omit a step entirely. These choices interact with task regime and operational constraints, so static pipelines and one-off model comparisons provide only a limited view of the design space. This paper introduces AgensFlow, an open-source framework that treats multi-agent coordination as an online policy-learning problem under partial observability. The framework makes coordination decisions observable and learnable from repeated trajectories, rather than treating skill, role, model, topology, and evaluation choices as fixed pipeline design. AgensFlow is evaluated on two corpora: distributed-systems incident tasks and security-advisory tasks. The evaluation shows three main results: learned routing reaches a higher-quality operating point than a fixed pipeline baseline on coordination-heavy classes; skip:X isolates topology compression as a meaningful part of the substrate; and warm-started policy graphs can reduce exploration cost while preserving plateau quality. Overall, the results support that learned, auditable routing can improve coordination-heavy multi-agent workflows over static wiring.
Authors: Eichi Uehara
Abstract: Estimating how much an intervention helps a given individual the conditional average treatment effect (CATE) is increasingly central to decision-making in medicine, economics, and policy, where an estimate is most useful when accompanied by a calibrated uncertainty interval. We study the few-placebo regime, in which one treatment arm is much smaller than the other, as arises in unequal-allocation trials and small-holdout $A/B$ tests. The standard estimator in this setting is the X-Learner, and a natural way to obtain credible intervals is to make its second stage Bayesian. We show that these intervals under-cover: they contain the true effect less often than their nominal level. We trace this to a structural cause the X-Learner's regression target inherits the bias of a nuisance model fitted to the small arm, so the posterior is centered away from the true effect and we find that the standard remedy, regressing an orthogonal doubly-robust score, is also unreliable here, since the regime's limited overlap leaves the estimator either highly variable or, once stabilized, biased once more. Both consequences reflect a pattern that extends beyond causal inference: a separately estimated variance is attached to a point estimate of a hard-to-learn quantity, and the point estimate's bias is not captured by that variance. We propose GP-CATE, which models each arm's outcome surface with a Gaussian process, so the scarce arm's uncertainty enters the posterior directly rather than as an unmodelled bias. Across synthetic and semi-synthetic benchmarks, GP-CATE attains calibrated coverage where the estimators we compare against including Causal Forest and BART do not, at the cost of intervals that are appropriately wide when the data are uninformative.
Authors: Eichi Uehara
Abstract: Estimating how an outcome responds to a continuous treatment (the Average Dose-Response Function, or ADRF) is a core causal-inference primitive. However, when outcomes possess heavy tails, standard robust double machine learning (DML) deliberately suppresses these extremes to stabilize the bulk average. In high-stakes settings, such as financial returns or climate losses, this omitted 1-in-1000 extreme event is the actual target quantity. Furthermore, current methods that read the tail from a model's residuals suffer from circular dependence, causing tail shape inferences to shift drastically based solely on whether the core estimator is switched between Huber and Welsch. The research proposes an ADRF estimator that emits a structured tail-shape output alongside the standard point estimate. Its tail diagnostic (PDHTE+JK) evaluates the per-treatment tail shape from the outcome centered by a pilot median, successfully breaking the circular dependence and rendering the diagnostic invariant to the choice of core method. The output encompasses four treatment-conditional quantities: tail shape $\hat{\xi}(t)$, deep-tail return levels $\hat{Q}_{\alpha}(t)$, conditional shortfalls $\hat{S}_{\alpha}(t)$, the recovered mean ADRF, and an explicit refusal mechanism that declines extrapolation when extreme-value modeling is unsupported by the data. Compared to kernel-weighted quantile regression (QR), the proposed estimator reduces deep-tail ($\alpha=0.001$) return-level MAE by 11% and conditional-shortfall MAE by 25.5% across a heavy-tailed panel. It also achieves a 20-29% MAE reduction in sample-scarce regimes ($n\le2000$). On freMTPL2 motor-insurance claims, it successfully triggered an explicit extrapolation refusal on the log-claim scale, which neither QR nor loss-only DML can produce.
Authors: Eichi Uehara
Abstract: Causal-discovery algorithms return a directed graph, yet provide no principled means of distinguishing edge directions identified by the data from those assigned without an identifying assumption. Under the standard Markov and faithfulness conditions, the observational distribution identifies only a Markov equivalence class; orientations within that class are not determined by the joint distribution and cannot be recovered from additional samples alone, but require either a functional restriction or an intervention. We introduce a protocol for observational causal discovery on continuous data that attaches to each candidate edge a discrete impossibility certificate: a RESOLVED code records the identifiability theorem under which the direction was committed, while an IMPOSSIBLE code records the failure mode together with the specific question a domain expert must answer to resolve it. The bivariate cascade is extended with five gated identifiability tiers LSNM, IGCI, Stein, MDL, and PEIT that abstain when their precondition test rejects. Two oracle primitives, the meta-hub query and the node-children query, jointly establish an upper bound of $1+K$ expert interactions sufficient to recover any DAG, where $K$ denotes the number of non-leaf vertices. Under an ideal-oracle assumption, the bound is met exactly on the asia, sachs, child, and alarm benchmarks.
Authors: Gabriele Bocchi
Abstract: We introduce Triangular-Reference Schr\"odinger Bridges for Time Series (TR-SBTS), a conservative extension of the SBTS framework in which the Brownian reference is replaced by an intervalwise frozen, possibly degenerate diffusion reference, triangular across a hierarchy of latent volatility levels. The construction is a single entropy projection on the augmented state space, with the variational constraint imposed jointly across time and the latent levels and unfolded hierarchically by the disintegration of relative entropy. The variational core of SBTS is preserved: the entropy minimiser is the h-transform of the reference, and on each frozen interval the optimal dynamics admit a logarithmic-gradient drift formula on the affine leaves of the active covariance directions, valid even when the frozen covariance is rank-deficient. We establish stability of the frozen approximation and convergence of the corresponding regularised kernel estimators. The construction is realised through a finite-dimensional conditioning map assembled from three complementary reductions of the past -- a block PCR summary, a reference-aware Mahalanobis kernel on past increments induced by the runtime frozen covariance cumulants, and a past-window WLS drift regressor under the same reference metric -- together with a coupled state-covariance bridge step in which each latent level produces a dynamic reference for the level above, summarised by a covariance descriptor; the construction is evaluated on numerical experiments.
Authors: Ethan Elasky, Frank Nakasako, Naman Goyal
Abstract: Despite theoretical promise, debate as a scalable oversight protocol has produced mixed empirical results: gains in some settings, and null effects in others, especially when the judge does not have information hidden from it. We study proposer-critic debate in a stronger-debater/weaker-judge setting on programmatically verifiable code and logic tasks. Debate helps the judge over a consultancy baseline when the critic provides a usable advantage: the critic's classification ability must exceed the judge's, and the judge must treat critic speeches as claims to verify rather than testimony to summarize. On the three of five pairings where the condition holds, proposer-critic debate's gains are statistically significant over consultancy, and these pairings are the most capable model pairings. On the two non-responder pairings in our set, debate produces null effects, and judge verification rates drop by tens of percentage points once a critic enters the transcript. In these cases the critic's binary-classification ability and the judge's are within noise of each other, and the critic's disagreement is parsed as testimony rather than a claim to check. Ablating rebuttal rounds from debate produces no measurable change in judge performance: a single independent critique recovers the bulk of debate's benefit at lower inference cost. These findings suggest a cheaper primitive for training-free scalable oversight in verifiable domains (answer, critique, judge) and a pre-deployment audit (does the critic beat the judge, and will the judge verify it?) that predicts when debate will help.
Authors: Leo Yao
Abstract: Formal verification offers a path to provably correct software, but writing verified code remains expensive enough that the technique is rarely used in production. Recent large language models can accelerate this work, and recent benchmarks measure their ability to translate specifications into code and machine-checked proofs of correctness. This thesis evaluates the state of such LLM-driven verified-code generation ("vericoding") in Lean and develops search-based methods for improving verification performance. We first reproduce a subset of the vericoding-benchmark Lean leaderboard on a current cross-vendor model pool, finding that non-reasoning performance remains roughly steady on US closed-source models while open-weight models have slightly improved. We update the iterative methodology of vericoding-benchmark with an agentic loop equipped with mathlib search, finding that model performance greatly improves and scales with agent budget. GPT-5.4 nearly saturates the benchmark at 95.0% on 423 specs with $K=50$ LLM calls. We then design two agent-directed tree-search formulations: a state-based orchestrator that branches on partial-proof states, and a context-based orchestrator that branches on full subagent contexts. Compared against the agent baseline, the context-based design solves a wider range of intermediate-difficulty specs at lower token cost, while the agent baseline retains an advantage on the hardest specs, where uninterrupted iteration matters most. We conclude that search structure has selective advantages over a strong agent baseline, and that more challenging benchmarks drawn from modern code are important to measure and drive further progress in automated formal verification. Code available upon request by contacting the author at leoy@mit.edu.
Authors: Md Hafizur Rahman, Zafaryab Haider, Tanzim Mahfuz, Prabuddha Chakraborty
Abstract: Multi-agent LLM systems decompose workflows across agents, tools, shared context, memory, and decision gates. This modularity improves interpretability, but creates a propagation risk: a bounded perturbation to one component can be reused by other agents and amplified into system-level harm. We introduce HARP (Harm Amplification through Role Perturbation), a trace-first methodology for studying local-to-global harm amplification in multi-agent LLM systems. HARP compares paired clean and perturbed executions and records specialist outputs, tool calls, memory reads/writes, guard events, oracle logs, latency, token cost, and decisions. We define local harm as deviation from targeted agents or corrupted channels, global harm as deviation over the full trace, and harm amplification as (H_global/H_local). This complements attack success rate with a measure of how strongly orchestration spreads harm beyond the attack point. We instantiate HARP in a finance-oriented seven-agent system with a deterministic decision gate and configurable attack harness for specialist compromise, collusion, shared-context corruption, and temporal or memory-persistent attacks. Across five defenses, prompt-only defenses preserve benign utility but leave high success and stealth; pre-tool and step-level guards reduce some failures with utility or latency costs; and IntegrityGuard, a trace-consistency defense, achieves the lowest attack success and global harm but introduces utility/cost trade-offs. Results show that single-specialist compromise produces the strongest amplification, shared-context corruption yields the highest attack success, and temporal persistence produces the largest malicious impact. HARP argues that secure multi-agent evaluation must measure not only bypass, but propagation.
Authors: Syed Huma Shah (Duke University)
Abstract: Modern retrieval-augmented generation(RAG) deployments increasingly rely on caching to reduce token cost and time-to-first-token(TTFT). Prefix-level KV reuse is now standard in serving stacks such as vLLM, and chunk-level and position-independent reuse have been pushed further by recent systems(RAGCache, TurboRAG, CacheBlend, EPIC, ContextPilot, PCR, LMCache). Output-level semantic answer caches, by contrast, remain fragile: similar prompts can map to different correct answers, retrieved evidence drifts as the corpus is updated, and adversarial collision attacks have been shown to hijack cached responses. We argue that the right framing for cached answer reuse is not how to reuse faster but when reuse is safe. We propose GroundedCache, an evidence-validated cache router that admits a cached answer only when 4 cheap gates simultaneously hold: query similarity, retrieved-evidence overlap, source-version validity, and lexical (or judge-based) support of the cached answer by the freshly retrieved evidence. We build a six-regime workload that stress-tests cache safety rather than only hit rate, and introduce an operator-facing metric, the unsafe-served rate (USR), fraction of all queries that received a wrong cached answer. Across 2 datasets and 12,000 real-LLM generations(Qwen2.5-7B-Instruct on vLLM with Automatic Prefix Caching), GroundedCache drives USR to 0.0% on every HotpotQA regime(vs. 15-35% under naive caching) and to 1.5% on mtRAG document drift(vs. 51.5%), a 34x reduction on the design-point adversarial regime and 3-10x reductions across the other mtRAG regimes, while end-to-end p50 latency stays within 1.04-1.07x of a no-cache RAG baseline. A per-gate ablation isolates the lexical support gate as the load-bearing safety mechanism on both datasets, with the remaining gates providing defense-in-depth at near-zero cost. We release the implementation, workload, and evaluation harness.
Authors: Nithesh Chandher Karthikeyan, Jonas Unger, Gabriel Eilertsen
Abstract: Data availability remains a critical bottleneck in many deep learning applications. Large-scale datasets are often expensive to collect, curate and annotate, which can limit the scalability and applicability of supervised learning methods. In this work, we evaluate the classification performance of models trained on synthetic image datasets produced by generative deep learning. In particular, we use latent diffusion models conditioned on learned representations from DINOv2, DINOv3, and CLIP. Our results demonstrates that this representation-conditioned formulation significantly outperforms class-conditioned generation by a large margin (+10.76 p.p. top-1 accuracy on ImageNet100), by improving sample quality and mode coverage. Furthermore, by scaling the size of the synthetic dataset, we are able to outperform a classifier trained on the real data (+2.0 p.p top-1 accuracy). We also demonstrate how generated images can be used for augmentation purposes, outperforming classical augmentation methods, and how the conditioning space can be used for sample filtering to further improve training value. Collectively, these findings highlight that representation-conditioned diffusion models provide a promising approach for augmenting, complementing, or potentially replacing real-world datasets in large-scale visual learning tasks.
Authors: Joseph Feldman, Yuqi Gu
Abstract: Deep generative models offer powerful tools for multivariate data analysis, but their black-box architectures are often unidentified and difficult to interpret. We introduce the Deep Discrete Encoder (DDE) Copula, an identifiable and interpretable generative model for multivariate data with arbitrary marginal distributions. The model places a hierarchical directed network of binary latent variables inside a copula framework, enabling flexible dependence modeling for mixed discrete and continuous data. Estimation is based on rank likelihoods, which decouple marginal modeling from posterior inference on the DDE parameters and avoid specifying the marginal distributions. We establish conditions for identification of the DDE copula parameters, ensuring that layer-specific parameters provide meaningful summaries of multivariate dependence. We also prove quotient-space posterior consistency for continuous margins under the exact rank likelihood and treat the extended rank likelihood for tied or mixed margins as a generalized likelihood, with concentration under an additional contrast condition. For computation, we propose a stochastic expectation-maximization algorithm for \emph{maximum a posteriori} estimation, together with initialization strategies that improve convergence. To learn network dimension adaptively, we extend Bayesian rank-selection priors to infer layer-specific widths. Simulations show strong finite-sample performance, and a personality-survey analysis reveals interpretable hierarchical latent structure in complex multivariate data.
Authors: Jakub Wornbard, Zikai Shen, Dimitri Meunier, Arthur Gretton
Abstract: We develop semiparametrically efficient inference for kernel measures of noise heterogeneity in additive noise models. In many applications, the regression function is estimated using flexible machine learning methods. Downstream procedures based on the resulting residuals can then inherit first-stage bias: regression error may induce spurious dependence between covariates and residuals, invalidating the assumptions needed for standard analysis. We construct a novel Hilbert-valued one-step estimator of the kernel covariance operator between covariates and residuals. Our estimator yields bootstrap-calibrated tests for residual independence and goodness of fit in additive noise models, while also providing asymptotically efficient confidence intervals for the kernel dependence measure under noise heterogeneity. The framework extends to settings with additional covariates, enabling inference on distributional heterogeneity of residual noise across treatment groups. Simulations show improved calibration and power relative to naive plug-in residual methods.
Authors: Siddharth Chaini, Federica B. Bianco, Ashish Mahabal
Abstract: Astrophysical observations taken from Earth are subject to weather, environmental, and scientific constraints that lead to sparse, irregular light curves. On the eve of the Vera C. Rubin Observatory Legacy Survey of Space and Time, its massive dataset offers unprecedented opportunities for transient science. Yet, a key challenge remains its cadence, which will be sparse and irregular across six bands, limiting scientific inference. Interpolating light curves helps mitigate this, with Gaussian Processes being the standard, but they struggle with cross-band correlations, require an a priori kernel specification, and must be fit to each light curve individually and hence scale poorly. Here, we introduce the neural process family for light curve reconstruction, combining the probabilistic framework of Gaussian Processes with the scalability of deep learning. By meta-learning on diverse simulated transients, Attentive Neural Processes shift the bulk of the computational cost to training, enabling rapid, amortized inference with a single, class-agnostic model. Evaluated on realistic Rubin cadences across 15 transient classes, Attentive Neural Processes consistently outperform all benchmarks - a suite of Gaussian Processes and neural networks on every tested metric, spanning regression quality, astrophysical feature recovery, and probabilistic calibration. Our model interpolates all bands simultaneously in microseconds, over four orders of magnitude faster than the next-best neural benchmark and five faster than Gaussian Processes, making them suitable for the nightly LSST alert stream. Attentive Neural Processes avoid the overconfidence of standard neural networks and the underconfidence of Gaussian Processes, delivering sharp, well-calibrated uncertainties. This work establishes the neural process family as a scalable, probabilistic foundation for real-time transient science in the Rubin era.
Authors: Mohammadmahdi Ghasemloo, David J. Eckman, Yaxian Li
Abstract: High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output relationship. In parallel, reinforcement learning (RL) has emerged as a powerful framework for making online decisions in stochastic environments, with increasing attention being given to the use of simulation models as training environments for RL models. We investigate a class of surrogate models suitable for accelerating RL training in settings where the reward structure, model parameters, or system dynamics change over time and explore their interactions with simulation models and RL models. Through numerical experiments on a stochastic service system modeled via discrete-event simulation, we demonstrate that leveraging surrogate models can substantially accelerate RL training and re-training.
Authors: Prashanti Nilayam, Kiran Ramanna, Prashil Tumbade
Abstract: Multi-stage LLM pipelines that perform multi-agent debate, intrinsic self-correction, or retrieval-augmented verification exhibit puzzling aggregate behaviors: accuracy plateaus and reversals across rounds, non-replication of debate gains on contemporary frontier models, intrinsic self-correction degradation, and qualitative cross-provider divergence in debate dynamics. Downstream agent response can be operationalized as two coupled decisions: detection (whether to treat upstream content as authoritative) and conditional generation (what to produce if not). This decomposition yields four observable response regimes, of which detection-without-correction is the load-bearing failure mode. Across a nine-cell empirical grid spanning four model families, four benchmarks (GSM8K, MATH-500, GPQA-Diamond, AIME), and two methods (multi-agent debate, intrinsic self-correction), we find that the conditional miscorrection rate is consistently dominant (53-94% across cohorts) while detection rate varies contextually by more than an order of magnitude. The framework unifies the four phenomena above as signatures of a common mechanism and characterizes detection threshold as a stable model/protocol-level regularity that persists across methods at matched benchmark difficulty.
Authors: Tim R. Davidson, Anja Surina, Caglar Gulcehre
Abstract: Language models are becoming the default interface to factual knowledge, yet they often verify outputs more reliably than they generate them. This generation-verification gap (GV-gap) underlies many recent advances in self-improvement and reasoning, but its dynamics on factual knowledge specifically remain poorly understood. We focus on the training mechanisms underlying factual GV-gaps, distinguishing them from their computational and aesthetic counterparts. We trace generation and verification capabilities through three training phases (acquisition, continual learning, and updating) across four open-source model families at two scales each. Three findings recur across models: (i) verification is consistently learned before generation; (ii) verification is more robust to continual learning than generation; and (iii) factual updates can leave models in a "multi-verse" state, simultaneously verifying both old and new answers as correct. Natural experiments on frontier models reproduce these dynamics at scale and reveal residual verification biases on well-covered facts.
Authors: Sergei Tikhonov, Arsen Vasilyan
Abstract: We study the problem of computationally efficient proper agnostic learning of multidimensional concept classes under the Gaussian distribution. In this setting, given i.i.d. labeled samples from an unknown distribution over $\mathbb{R}^d \times \{\pm 1\}$ whose marginal on $\mathbb{R}^d$ is Gaussian, the goal is to output a hypothesis from a target class $\mathcal{F}$ whose 0-1 loss is within $\epsilon$ of that of the best classifier in $\mathcal{F}$. We give the first efficient proper agnostic learning algorithm for arbitrary Boolean functions of $K$ halfspaces under Gaussian marginals. Our algorithm runs in time $d^{O(K^2 \log(1/\epsilon)/\epsilon^2)} + (K/\epsilon)^{O(K^3/\epsilon^{2.5})}$. Prior to our work, the only known algorithm for $K \geq 2$ was brute-force search, with run-time exponential in $d$. Moreover, the dependence of our run-time on the dimension $d$ matches that of the best known improper learning algorithm, namely $d^{\widetilde{O}(K^2/\epsilon^2)}$. For the special case of a single halfspace ($K=1$), the best previous run-time was $d^{O(1/\epsilon^4)} + (1/\epsilon)^{O(1/\epsilon^6)}$. Our algorithm improves this to $d^{O(1/\epsilon^2)} + (1/\epsilon)^{O(1/\epsilon^{2.5})}$. Once again, the dependence on $d$ matches that of the best known improper algorithm, namely $d^{O(1/\epsilon^2)}$. Furthermore, the dependence of our run-time on the dimension $d$ is essentially optimal in the statistical query model.
Authors: Chaimae Jallouli, Karim Boubouh, Robert Basmadjian
Abstract: Estimating CPU power on heterogeneous ARM-based commodity devices is challenging due to limited access to CPU's voltage domains. As a result, state-of-the-art energy-aware Federated Learning (FL) frameworks typically rely on simplified approximate power models to estimate computation energy, rather than the more accurate analytical CMOS-based model. To bridge this gap, we propose a reproducible CPU power estimation methodology combined with a rail-to-cluster mapping technique to retrieve cluster-level supply voltage. We evaluate our approach on two commodity Android devices and show that the analytical model predicts CPU power with errors below 10%, whereas the approximate model incurs errors of up to 959%. Using AnycostFL, a state-of-the-art energy-aware FL framework, we show that the analytical model achieves the same 80% model accuracy while consuming 1.4x less energy than the approximate model. These results highlight that approximate models can severely misestimate computation energy and lead to suboptimal decisions. This work facilitates the use of analytical CPU power models on heterogeneous multi-cluster ARM-based mobile SoCs without additional hardware support or external power measurement tools.
Authors: Khang Tran, Yazan Boshmaf, Issa Khalil, NhatHai Phan, Ting Yu, Md Rizwan Parvez
Abstract: Code Large Language Models (CLLMs) serve as the core of modern code agents, enabling developers to automate complex software development tasks. In this paper, we present Poison-with-Style (PwS), a practical and stealthy model poisoning attack targeting CLLMs. Unlike prior attacks that assume an active adversary capable of directly embedding explicit triggers (e.g., specific words) into developers' prompts during inference, PwS leverages developers' code styles as covert triggers implicitly embedded within their prompts. PwS introduces a novel data collection method and a two-step training strategy to fine-tune CLLMs, causing them to generate vulnerable code when prompts contain trigger code styles while maintaining normal behavior on other prompts. Experimental results on Python code completion tasks show that PwS is robust against state-of-the-art defenses and achieves high attack success rates across diverse vulnerabilities, while maintaining strong performance on standard code completion benchmarks. For example, PwS-poisoned models generate CWE-20 vulnerable code in 95% of cases when the trigger code style is used, with less than a 5% drop in pass@1 performance on the HumanEval and MBPP benchmarks. Our implementation and dataset are here: https://github.com/khangtran2020/pws.
Authors: Pitipat Kongsomjit, Suryansh Goyal, Jacob Whitehill
Abstract: Soft prompt tuning is a parameter-efficient method for adapting LLMs to specific tasks, but suffers from a lack of interpretability. Building on recent work on interpreting soft prompts (Ramati et al., 2024), we explore how training a dedicated soft prompt to natural language translation model can yield higher translation quality. In particular, in both quantitative and qualitative comparisons on multiple Datasets of Datasets (DoDs), we demonstrate that our translator produces fluent, accurate verbalizations that outperforms existing training-free methods like InSPEcT. In addition to advancing interpretability, our work suggests a promising downstream application: soft prompts optimized on small, open-source models can be translated into portable text prompts that, when deployed on larger closed-API models, exceed the performance of the original soft prompt and, in some cases, even few-shot learning.
Authors: Marcus G M\"uller, Wout Boerdijk, Maximilian Durner, Riccardo Giubilato, Abel Gawel, Wolfgang St\"urzl, Roland Siegwart, Rudolph Triebel
Abstract: Terrain understanding is fundamental for mobile robots operating in unstructured outdoor environments. Existing vision-based traversability estimation methods rely on robot-specific annotations or semantic class mappings, limiting transferability across platforms and requiring costly re-annotation when robot capabilities change, while standard semantic segmentation methods only focus on specific predefined classes, which do not capture the variety of terrains. In this work, we propose a transformer-based architecture that jointly performs class-specific semantic segmentation and class-agnostic terrain segmentation within a unified network, called Trinity. Terrain regions are segmented based solely on visual appearance, without predefined semantic labels or robot-dependent traversability scores. This formulation enables the learning of robot-agnostic visual terrain priors that can be combined with robot-specific experience for downstream tasks such as traversability estimation, visual odometry, and mission planning. To enable large-scale training with diverse terrain appearances, we extend the OAISYS simulator and introduce RUGDSynth, a synthetic dataset inspired by RUGD with class-agnostic terrain samples. Furthermore, we present the EXTerra Dataset, providing real-world images annotated with both class-specific and class-agnostic terrain labels. Experiments demonstrate the feasibility of the proposed task and the effectiveness of our joint segmentation approach in complex outdoor environments. Code and datasets will be released with this publication (after review).
Authors: Qishi Zhan, Minxuan Hu, Seoyeon Jang, Lei Zhao, Ziheng Chen, Man Liang, Xinyue Xiang, Jiaxin Liu, Guansu Wang, Liang He
Abstract: Multilingual LLMs are increasingly used when instruction, source content, and required response languages do not coincide. Existing benchmarks have expanded multilingual instruction-following evaluation, but they rarely isolate these three roles within a fully crossed design. We introduce MTM-Bench, a controlled benchmark for language-conditioned task execution in which each instance is defined by a triplet \((L_{\text{instr}}, L_{\text{content}}, L_{\text{resp}})\). Across English, Spanish, and Chinese, MTM-Bench enumerates all 27 triplets and contains 2{,}430 instances per model across semantic reversal, final-state extraction, and language purity with update realization. We evaluate 20 frontier and open-weight LLMs using decomposed metrics for semantic correctness, target-language adherence, constraint satisfaction, contamination ratio, and joint success, with scoring validated by a targeted human audit. The fully crossed design reveals that degradation is organized by the role a language occupies in the task structure, not merely by mismatch count. The response-language role is the dominant axis of variation, and a single response-slot mismatch accounts for most degradation. The response-only and full-mismatch comparison suggests that mismatch count is not a monotonic predictor of difficulty, with model-level ordering varying across systems. Task families fail through distinct channels, showing that semantic correctness alone does not capture reliable multilingual task execution.
Authors: Surender Suresh Kumar, Mary L. Cummings
Abstract: Safety defenses for large language models (LLMs) are typically trained and evaluated on single-turn prompts, yet real attacks often unfold as indirect, multi-turn probing. To defend against this more nuanced form of deception, we present a unified pipeline that generates realistic multi-turn deceptive question sets via multi-objective genetic prompt optimization with co-evolving mutation operators. We validate this dataset through a human study, which also revealed that early generations yielded the most convincing deception and practical constraints such as adherence filtering and ordering effects. Using this data, we were able to detect deceptive attempts to access prohibited information using simple, explainable geometric signals in embedding space coupled with a lightweight feed-forward classifier. Three geometric features (angular coverage, distance ratio, and linearity) augmented with pairwise similarity statistics led to a compact predictive model that achieved consistently high recall (0.89) across base, reworded, and truncated (three-turn) scenarios, with test-time F1 ranging from 0.74-0.86. The results support a central hypothesis that multi-turn deceptive intent leaves a stable geometric footprint that enables lightweight, transparent screening without expensive end-to-end training. We further discuss responsible uses, limitations, and paths toward larger, more diverse human-evaluated datasets. The primary contribution to artificial intelligence is the multi-objective evolutionary framework for prompt generation, and the engineering application is the deployment of a lightweight geometric detection system for LLM safety infrastructure.
Authors: Abile Jean, Kuniyilh S
Abstract: Cyber-Physical Systems (CPS) integrate sensing, communication, computation, and control to support critical infrastructure, including smart grids, industrial automation, and control systems. In the electrical utility domain, various controllers are used in CPS to ensure the system detects and recovers from faults, such as voltage fluctuations, and to perform load balancing in distribution systems. Machine learning- and deep learning-based fault detection and localization frameworks have recently gained significant attention in CPS for their ability to identify anomalies and operational failures in real time. However, these intelligent models are vulnerable to adversarial machine learning attacks, particularly backdoor attacks. In a backdoor attack, an adversary injects malicious patterns into the training data so that the model behaves normally most of the time but produces attacker-controlled outputs when triggered by specific patterns. This paper investigates the threat of backdoor attacks against fault detection and localization mechanisms in recent ML pipelines used in modern CPS systems. We define these threats and explore how they can be realized by designing triggers and evaluating their success in the CPS domain. Our experiments show the attack is successful even with 10\% of poisoning.
Authors: Ciar\'an M. Gilligan-Lee, Joseph Egan, Yuchen Zhu, Michael O'Riordan
Abstract: Fine-tuning a pretrained language model on a curated dataset can produce spurious correlations between the fine-tuning task and unintended latent factors -- such as misaligned personas or political slant -- that the curation procedure has entangled with the task. The model can latch onto these spurious correlations, leading to bias and reduced out-of-distribution generalisation. We prove that under reasonable assumptions on task complexity and the spurious correlation, such latent factors can be identified, without supervision, from the weights of a naive LoRA fine-tune. Existing approaches to removing bias, such as activation steering, remove identified factors from residual-stream activations, either at inference or during training. We argue, however, that the goal should be to remove the spurious correlation, not the latent factor itself, as the pretrained model may rely on it for genuine task signal. To enable this, we propose GRASP, GRadient projection of Associated Spurious Patterns, which prevents the model from acquiring new reliance on the identified latent factor while preserving any pretrained content along it. We validate on three fine-tuning tasks. The first two involve emergent misalignment, where fine-tuning on a narrow task -- in our case, writing insecure code and giving bad medical advice -- leads to misaligned responses on unrelated topics. Here our method completely removes misalignment in the insecure code case and reduces them by ~5x in the bad medical advice case, beating all baselines in the trade-off between misalignment-reduction and task-preservation. The last is a novel political-bias experiment, where fine-tuning on right-skewed Reddit financial-advice data causes political-lean drift on unrelated topics. Here our method reduces drift by more than half, while improving financial task performance, beating all baselines.
Authors: Julia Navarro, Mark Wilkinson
Abstract: We construct and evaluate group-equivariant neural networks for the prediction of the two-dimensional $Q$-tensor order parameter of nematic liquid crystals from synthetically generated microscopic textures. Seven architectures, equivariant to cyclic groups $C_k$ of order $k$ for $k=4,\,8,\,16,\,32,\,64,\,128,\, 256$, are built using a combination of weight-sharing constraints, equivariant activations and regularization techniques. To do this, we construct rotation-like permutation matrix groups with elements $\varrho_{C_k}(g)$ that act on row-wise vectorized images, thereby approximating a $\frac{2\pi}{k}$ rotation of the circular subdomain on square images. We show that all seven equivariant models satisfy the $Q$-tensor equivariance constraint to within single-precision floating point accuracy. Comparing against approximate parameter-matched non-equivariant benchmarks, with and without data augmentation, we find that the equivariant models consistently achieve lower errors and generalize more robustly to unseen defect configurations. Performance increases with group order, suggesting that the incorporation of finer rotational symmetry leads to lower errors.
Authors: Nathaniel Mitrani Hadida, Rhea Karty, David Williams-King, Alan Cooney
Abstract: Alignment faking (AF) refers to a model strategically complying with a training objective to avoid behavioural modification while preserving its deployment preferences. Understanding when and why AF arises matters as models grow better at distinguishing training from deployment. Prior work finds AF fragile, prompt-sensitive, and model-dependent, leaving its underlying drivers unclear. We study AF in a controlled, minimal setup that isolates its core components, and observe it across a wider range of models than previously reported, including small-scale models. We identify three separable drivers -- values, goal guarding, and sycophancy -- and show via targeted prompt ablations and activation steering that each independently modulates AF behaviour. Our results indicate AF is more widespread than previously reported and that its occurrence is predictable from situational cues and measurable model tendencies such as baseline sycophancy and stated values. The decomposition suggests concrete directions for detecting and mitigating AF in future models.
Authors: Jiaqian Li, Yanshu Li, Boxuan Zhang, Ruixiang Tang, Kuan-Hao Huang
Abstract: LLM agents increasingly operate through multi-turn tool use and environment interaction, where safety risks often emerge from intermediate steps long before they surface in the final outcome. Reactive auditing is therefore insufficient: post-hoc diagnosis frequently misses the chance to flag risks while they are unfolding. We propose TRACES, a representation-based proactive auditor that learns prefix-level trajectory risk states from the hidden representations of an observer LLM. TRACES induces latent mechanism features from step representations and models their temporal evolution to estimate whether a partial trajectory is drifting toward unsafe behavior. To sidestep the cost and ambiguity of step-level risk annotation, TRACES is trained with weak trajectory-level supervision while still producing dense prefix-level risk estimates. Across multiple agent safety benchmarks, TRACES improves both full-trajectory safety prediction and proactive risk discrimination. Our analyses further suggest that these risk states can help train a safer agent, highlighting the broader potential of proactive auditing for long-horizon agent safety.
Authors: Piotr Wyrwi\'nski, Kacper Dobek, Krzysztof Krawiec
Abstract: Discrete visual tokenizers translate images into ordered sequences of codes, providing a natural representation for structural description of scenes. Yet existing adaptive tokenizers either require post-hoc search or select among a discrete set of pre-trained rates, rather than learning a continuous per-image sequence length coupled to the model and scene, and they typically train against pixel reconstruction, emphasizing texture rather than structure. We propose STROP, a discrete visual tokenizer architecture that forms structural scene representations and simultaneously learns how long an image's visual program should be. Using a four-phase curriculum supervised by local rate--distortion probes against frozen DINOv3 features, STROP optimizes a dedicated length head that estimates the active prefix length in a single forward pass. By bypassing pixel-level reconstruction gradients, the codebook is shaped entirely by the quality of higher-level latent representations. Program length grows with scene complexity, and signs of compositional structure emerge both in downstream dense-prediction transfer and in direct inspection of the learned code vocabulary.
Authors: Jinhao Liang, Sven Koenig, Ferdinando Fioretto
Abstract: Decentralized multi-robot motion planning requires each robot to generate collision-free trajectories from local observations, without global sensing or reliable communication. However, most existing planners, whether classical or learning-based, generate trajectories from a static snapshot of the local observation, which limits their ability to anticipate the future behavior of neighboring robots. This limitation is critical as the number of robots increases and the environment becomes more cluttered. To overcome this challenge, this paper introduces Simulation-Informed Diffusion (SID), a decentralized framework built on constraint-aware diffusion models (CADM). SID first uses CADM to simulate the future trajectories of neighboring robots from their currently observed states, and then uses the same CADM to plan each robot's own trajectory under safety constraints informed by these simulations. Crucially, the accurate simulation of neighbors enables a minimal communication scheme that triggers coordination only when necessary in highly congested scenarios. Experiments across diverse environments show that SID consistently outperforms baseline methods in terms of planning effectiveness and constraint satisfaction, and scales to scenarios with 108 robots and 160 obstacles.
Authors: Liu Zhang, Amit Singer
Abstract: Moment-based estimation is a theoretically attractive approach to parametric inference, especially when likelihood-based estimation is unavailable, misspecified, or computationally inconvenient. However, the moment equations involve sample averages, which makes moment-based estimation sensitive to outliers. We propose the SGR-GMM algorithm, a robust generalized method of moments (GMM) procedure that uses a spectral gradient reweighting (SGR) primitive to soft-reweight the per-observation gradients during the moment-matching optimization. Our analysis has three layers. First, for a fixed center, the SGR primitive is formulated as an entropy-regularized spectral game between a sample-weight player and a density-matrix player, which is analyzed using classical multiplicative-weights and matrix-multiplicative-weights regret bounds. Second, we establish explicit convergence radius and finite termination bound for the fixed-center updates in the SGR primitive. Third, we prove a local finite-sample parameter estimation error bound with explicit dependence on the contamination fraction, inlier gradient stability, local GMM identification strength, and optimization accuracy. We further specialize the SGR-GMM algorithm to obtain a robust diagonally-weighted GMM (DGMM) estimator for estimating heteroscedastic low-rank Gaussian mixtures observed under additive Gaussian noise and strong contamination. In the numerical experiments, the SGR primitive produces nearly-oracle gradient estimation and the robust DGMM specialization substantially improves over non-robust moment baselines. The code and data are available at https://github.com/liu-lzhang/sgr-gmm.
Authors: Daniel Curl, Han Hu
Abstract: High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has demonstrated that a proper orthogonal decomposition and neural-network (POD-NN) surrogate can predict two-dimensional thermal fields in an electronics-cooling cold plate with large inference speedups while preserving physically interpretable modal structure. Reproducing and extending such workflows, however, typically requires custom scripts for parameter sampling, Fluent automation, data extraction, reduced-order model construction, neural-network training, validation, and prediction. This paper introduces CFDTwin, an open-source Python package and optional desktop graphical user interface (GUI) that packages these steps into a reusable workflow for ANSYS Fluent simulations. CFDTwin allows users to define simulation inputs and output quantities, generate design-of-experiments samples, run and resume Fluent batch simulations, train POD-NN surrogate models for scalar, surface-field, and cell-zone outputs, inspect validation metrics, and evaluate trained models at new design points without re-running Fluent. The same workflow is exposed through a scriptable Python API and a GUI, supporting reproducible studies, user-facing model validation, and automated design exploration. CFDTwin extends the prior POD-NN modeling study from a case-specific research implementation to a reusable research-software platform for CFD surrogate modeling and digital-twin development.
Authors: Paula Cordero-Encinar, Georgy Tyukin, Andrew B. Duncan
Abstract: Existing training approaches for large language models learn a single set of parameters, based on large volumes of data, which is typically heterogeneous, conflicting and often outright contradictory. As a result, the model is forced to compress conflicting goals, and inherent uncertainties into a single, averaged pattern of behaviour. We propose an $\alpha$-R\'{e}nyi variational framework for learning distributions over post-training parameters, offering an uncertainty-aware alternative to deep ensemble approaches. The resulting variational objective interpolates between classical variational Bayes and predictively oriented posterior learning, balancing between globally plausible individual models against systems of complementary specialists. We identify local stability criteria, demonstrating how model misspecification can make non-degenerate posterior spread locally favourable, manifesting contradictory or conflicting data as epistemic uncertainty. We apply our framework to LLM post-training, learning an ensemble of LoRA adapters attached to a shared, frozen base model, providing a scalable training procedure for both supervised fine-tuning and preference optimisation. Our approach enables training examples to be softly routed across ensemble members, promoting model specialisation and providing actionable uncertainty estimates across different tasks.
Authors: Niccol\`o Ferrari, Oligert Osmani, Evelina Lamma
Abstract: Industrial visual anomaly detection is usually one-class: normal images are abundant, while defects are rare, heterogeneous, and often unavailable during system design. PatchCore-style retrieval suits this setting because it scores test images from a memory bank of normal patch features, but the standard Euclidean geometry ignores feature correlations and its offline construction materialises the full patch pool before subsampling. We introduce Mahalanobis PatchCore, a covariance-aware, streaming-compatible extension of PatchCore. Its artificial intelligence contribution is a retrieval detector that estimates a regularised covariance model in reduced feature space and whitens embeddings, so Euclidean nearest-neighbour search after transformation implements Mahalanobis retrieval. A bounded-memory, re-iterable training pipeline builds the memory bank without storing all normal patches at once, using incremental dimensionality reduction, online covariance estimation, and streaming aggregation. The engineering application is automated industrial inspection, where visual anomaly detection must remain accurate under practical memory limits. We evaluate the method on a public 15-category industrial anomaly-detection benchmark and three industrial datasets covering blow-fill-seal strip-ampoule meniscus inspection, amber-glass-ampoule bottom inspection, and lyophilised-cake vial inspection. Mahalanobis PatchCore preserves most offline PatchCore image-level performance on the public benchmark while reducing peak memory from 5.41 to 2.78 GB, and improves the selected industrial mean image area under the receiver operating characteristic curve from 0.981 to 0.986.
Authors: Tomoki Koike, Prakash Mohan, Marc T. Henry de Frahan, Elizabeth Qian, Julie Bessac
Abstract: High-performance computing enables simulation of high-dimensional physical systems, but downstream analyses such as inverse problems and control remain computationally expensive, motivating model order reduction (MOR) to construct efficient low-dimensional surrogates. Proper Orthogonal Decomposition (POD), a widely adopted data-driven MOR method, projects dynamics onto linear subspaces spanned by the most energetic modes. However, POD struggles for problems with slowly decaying Kolmogorov \(n\)-widths, such as advection-dominated and turbulent flows, requiring many modes for accurate reconstruction. Moreover, energy-based selection can discard crucial low-energy modes needed to capture small-scale features. Recent nonlinear manifold methods using polynomial mappings with alternating or greedy mode selection achieve better reconstruction with fewer modes. However, these methods fix the nonlinear mapping form a priori, limiting expressivity. Conversely, neural network (NN) manifolds offer greater expressivity but employ energy-based selection. We present SparseModesNet, a dimensionality reduction framework that employs linear encoding via POD modes and nonlinear NN decoding. The decoder leverages LassoNet, a method enforcing hierarchical sparsity through residual connections with linear skip layers, to simultaneously select informative POD modes and learn a nonlinear mapping that minimizes reconstruction error. On benchmark advection-dominated and chaotic flows, SparseModesNet matches or exceeds state-of-the-art performance. For turbulent channel flow at friction Reynolds number \(Re_\tau=5200\), we reduce reconstruction error by 51--78\% compared to existing polynomial manifold methods while maintaining interpretability through physically meaningful mode selection.
Authors: Sherman Siu (University of Waterloo), Lesley Istead (University of Waterloo)
Abstract: Recent advances in large language models have enabled natural language to serve as a flexible interface for controlling complex systems, but often at the cost of large-scale multimodal training or weakened domain-specific inductive biases. In structured decision-making domains such as chess, specialized policy networks achieve strong performance but lack semantic controllability, while prompt-conditioned language models are more flexible yet typically exhibit weaker domain grounding. We propose $\textbf{UniMaia}$, a framework for prompt-conditioned policy modulation that adapts a frozen Lc0-based chess policy network using a parameter-efficient text encoder and a ControlNet-style conditioning mechanism. UniMaia enables semantic control over gameplay, including opening selection and player strength, while preserving the pretrained policy representations. We further introduce $\textbf{UniMaia-Aux}$, which incorporates auxiliary temporal conditioning and behavioral prediction objectives. To support this work, we construct a large-scale metadata-augmented Lichess dataset, develop a semi-automated prompt-generation pipeline, and introduce benchmarks spanning both prompt-conditioned and metadata-conditioned settings. UniMaia achieves state-of-the-art expected accuracy on several prompt-conditioned benchmarks and competitive top-move accuracy on general instruction-following tasks, while remaining competitive with dedicated metadata-conditioned approaches on human move prediction benchmarks. UniMaia-Aux further improves expected accuracy and behavioral modeling across several evaluation settings, with modest trade-offs in top-move accuracy. Overall, our results demonstrate that prompt-conditioned control of domain-specific policy networks is feasible without end-to-end multimodal training, while highlighting trade-offs between controllability and predictive performance.
Authors: Jingbo Liu
Abstract: We study the query complexity of sampling from high-dimensional Gaussian distributions using gradient information. In the standard oracle model, exact gradients expose only matrix-vector products with the precision matrix, leading to polynomial approximation barriers and a characteristic \(\sqrt{\kappa}\) dependence on the condition number. We show that this barrier disappears when the sampler is allowed to query \emph{smoothed scores}, namely gradients of the logarithms of the Gaussian-convolved densities. For a Gaussian target with precision matrix \(\Lambda\), a smoothed-score query at noise level \(\tau\) gives access to the resolvent \((\Lambda+\tau^{-1}I)^{-1}\). Combining geometrically spaced noise levels with sinc-quadrature rational approximation, we obtain a sampler with $q=O\!\left(\bigl(\log\kappa+\log(e\sqrt d/\delta_{\rm TV})\bigr)\log(e\sqrt d/\delta_{\rm TV})\right)$ smoothed-score queries for total variation error \(\delta_{\rm TV}\), improving the condition-number dependence from \(\sqrt{\kappa}\) to logarithmic. We also study finite-bit gradient oracles. Using coordinatewise quantization of the transformed smoothed-score answers and a final dithering step, we obtain a sampling scheme whose total communicated gradient information is polylogarithmic in \(\kappa\); in particular, for fixed dimension and accuracy, the bit complexity is \(O(\log^2\kappa)\). To complement these upper bounds, we introduce a channel-synthesis, or reverse-Shannon, converse technique for sampling lower bounds. This converts total-variation simulation guarantees into communication requirements and yields an \(\Omega(\log\kappa)\) lower bound on the required gradient information. Together, these results identify smoothed scores as a provably more informative oracle for sampling and give nearly matching upper and lower bounds for its finite-bit complexity.
Authors: Jiacheng Pang, Ashutosh Chaubey, Mohammad Soleymani
Abstract: Audio large language models (Audio LLMs) demonstrate strong performance on speech understanding tasks, yet their ability to understand paralinguistic information remains limited. To systematically quantify this issue, we introduce VoxParadox, an adversarial benchmark with 2,000 verified examples, spanning 10 paralinguistic tasks, created with controlled speech synthesis to intentionally mismatch transcript claims and speaking style, enabling direct measurement of speech paralinguistic understanding. Evaluation of a diverse set of Audio LLMs reveals consistently low accuracy on acoustic ground truth and a strong tendency to follow language-implied (incorrect) answers. To understand the cause of this gap, we perform layer-wise probing and find that (i) paralinguistic cues can degrade in deeper encoder layers and at the encoder--LLM interface, and (ii) even when such cues are available in audio tokens, the language model frequently ignores them. To address these problems, we propose Prompt-Conditioned Layer Mixer (PCLM), which adaptively combines information from multiple audio layers based on the input prompt, and pair it with Direct Preference Optimization (DPO) to explicitly prefer acoustically supported options over language-implied alternatives. These methods substantially improve Audio LLM paralinguistic understanding, improving Audio Flamingo 3 from 17.40% to 65.20% on VoxParadox, and from 37.74% to 54.78% on MMSU paralinguistic subset. Our project page is available at https://voxparadox.github.io/.
Authors: Pruthvinath Jeripity Venkata
Abstract: When a language model sees a document contradicting its training knowledge, it must choose: follow the document or trust itself. Prior work proved this choice depends on how well-known the fact is. We ask: does the model's chain-of-thought (CoT) reasoning faithfully report this mechanism? We introduce introspective faithfulness and test it across 200 questions, 8 models, and 4 prompt conditions. We find CoT reasoning is highly stable across opposite decisions: flip pairs retain 96% of same-answer similarity (d=0.34; confirmed by ROUGE-L, d=0.45). Yet self-rated confidence carries a faint genuine signal: for obscure facts where entity fame is uninformative, confidence still predicts decisions (p<0.001) and tracks item-level knowledge (r=0.134). GPT-4o is the only model with statistically reliable reasoning-decision coupling. Claude Sonnet 4.6 shows the widest confidence range (SD=1.39) but near-zero pooled correlation because the confidence-decision relationship reverses between conditions; a temperature ablation confirms this is model-specific. Internal thinking tokens show greater decision-sensitivity than user-facing CoT (p=0.033). CoT decomposes into a decision-invariant knowledge display (~96%) and a thin confidence layer with weak but real signal. For monitoring: read confidence, not the argument.
Authors: Xiaomeng Wang, Hamsa Bastani, Osbert Bastani, Zhimei Ren
Abstract: This paper studies adaptive targeting under network interference in a bandit setting, where treatments applied to one individual may affect others through spillover effects. We consider a linear model in a sparse regime, where each individual's outcome can be affected by at most a few others. We first establish a regret lower bound showing that ignoring the network structure and reducing the problem to a standard linear bandit inevitably leads to inefficient learning, particularly in large populations. To understand how structural information can be leveraged, we analyze regimes with varying levels of knowledge of the interference structure: (1) full support knowledge, (2) knowledge of the column support sizes, and (3) no prior knowledge. For each regime, we establish regret lower bounds characterizing the fundamental limits of learning, and develop algorithms that achieve near-optimal regret. Together, our results provide a unified view of how knowledge of the interference structure governs the efficiency of online learning under interference, and offer practical adaptive targeting algorithms in each setting. Numerical experiments on synthetic and real-world data demonstrate the practical benefits of our algorithms.
Authors: Leya Barrientos, Yuexi Du, Nicha C. Dvornek
Abstract: Ultrasound is widely used in obstetric care due to its safety, accessibility, and real-time imaging. However, interpretation remains operator-dependent and susceptible to noise and artifacts. Deep learning models have shown strong performance to solve these problem, but they typically require large annotated datasets that are difficult to obtain in clinical ultrasound. Foundation models (FMs) offer an alternative, using a large number of ultrasound images to learn transferable representations that can generalize with limited labeled data. This work presents a comprehensive benchmark of ultrasound-specific FMs for fetal plane classification. We evaluated four ultrasound FMs (USFM, MOFO, UltraSAM, FetalCLIP) against two CNN baselines (ResNet50, EfficientNet-V2) and a ViT (DINOv3) pretrained on natural images. We trained all models under two complementary settings: full fine-tuning and linear probing with a frozen encoder. All models were trained using 5-fold patient-level cross-validation on a Spanish fetal ultrasound dataset and tested on both in-domain data and an external African cohort to assess cross-population generalization. We found that FetalCLIP achieved the best results in the linear probing setting (F1 = 0.9261 for in-domain, F1 = 0.9731 for out-of-domain), while USFM performed best in the full fine-tuning setting (F1 = 0.9476 for in-domain, F1 = 0.9515 for out-of-domain). MOFO and UltraSAM degraded most in both settings, underperforming natural image pretrained models in some cases. These findings highlight how the choice of pretrained model strongly affects fetal plane classification performance, since different pretraining objectives lead to different levels of transferability.
Authors: Calvin Yeung, Prathyush Poduval, Ali Zakeri, Zhuowen Zou, Mohsen Imani
Abstract: Text-to-image diffusion models generate images through an iterative denoising process, so internal neural layers produce trajectories of activations rather than single static representations. Sparse autoencoders (SAEs) have recently been used to decompose diffusion activations into interpretable feature directions, but most approaches analyze activations at individual timesteps or condition on time rather than learning directly from full activation trajectories. In this work, we introduce residualized temporal SAEs for diffusion activation trajectories. We collect activations across denoising time, fit linear predictors between neighboring timesteps, and represent each trajectory using an initial activation together with residual components not explained by these linear dynamics. Training an SAE on this residualized representation encourages sparse latents to capture structure beyond what is linearly predictable. The residualized decoder directions can be mapped back into activation space, allowing each latent to be analyzed as a feature trajectory over denoising time. Through reconstruction and ablation studies, spatiotemporal feature analysis, and qualitative steering experiments on Stable Diffusion~1.5, we show that residualized temporal SAEs provide a useful framework for studying temporally structured diffusion activations.
Authors: Sizhe Lester Li, Evan Kim, Xingjian Bai, Tong Zhao, Tao Pang, Max Simchowitz, Vincent Sitzmann
Abstract: Video generative models have emerged as a promising robotics backbone, capable of generating videos that depict the completion of complex tasks across embodiments and environments. Recent work proposes robot foundation models that jointly predict future observations and actions by finetuning video models with action-labeled data. In this paper, we test the limits of an alternative approach: leave the video planner as-is while training an embodiment-specific inverse dynamics model (IDM). This decoupling offers several natural benefits: the video planner remains embodiment-agnostic, different video models can be interchanged easily without re-training the IDM, and the IDM can be independently trained with readily available self-play data. We present a closed-loop, video-to-action policy that combines an action-free video world model with a carefully-designed IDM based on the robot embodiment Jacobian. We demonstrate that our IDM design is both data-efficient and scalable to high-dimensional action spaces. Our policy, which we coin the Video-to-Embodied Robot Action Model (VERA), achieves strong performance across simulated and real-world benchmarks, including zero-shot Panda arm manipulation and 16-DoF Allegro-hand dexterous cube re-orientation. The same video planner can be used across multiple embodiments by pairing it with different embodiment-specific IDMs. Our results show that decoupled video planning plus faithful video-to-action translation is a viable alternative route towards zero-shot, cross-embodiment, and generalizable robot control. More results are available on our project website: https://vera.csail.mit.edu.
Authors: Kai Chen, Yan Pang, Tianhao Wang
Abstract: Membership inference attacks (MIAs) test whether a target data record belongs to a system's private data, and have become a standard tool to measure privacy leakage in machine learning systems. Prior work has primarily focused on training corpora or retrieval databases. However, MIAs against agent memory have received less attention, even though such memory can contain sensitive user-agent interactions, retrieved facts, and user preferences. Therefore, in this work, we focus on chat agent memory MIAs, where an adversary infers whether a candidate memory unit belongs to the chat agent's memory store. We propose Multi-Recall Memory MIA (MRMMIA), a unified attack that utilizes multiple recall probes to the agent to extract the membership signal across black-box, gray-box, and white-box settings. Our experiments demonstrate that MRMMIA consistently outperforms baselines. Our results expose the privacy risk in agents and provide an initial evaluation framework for membership leakage in chat-agent memory systems.
Authors: Shubhashis Roy Dipta, Ankur Padia, Francis Ferraro
Abstract: Claim verification splits between end-to-end classifiers that are accurate but yields no inspectable traces, and decomposition-based methods produce inspectable traces but lag performance on benchmark datasets. We propose DecomposeRL an accurate claim-verifier that produce inspectable traces. DecomposeRL frames decomposition as an RL policy trained with GRPO and a multi-faceted reward ensemble, enabling both fully supervised and semi-supervised learning from unlabeled claims. DecomposeRL addresses the prohibitive training cost of GRPO with a data-curation funnel that distills 115K fact-verification claims into a compact, learning-signal-dense subset of 5K claims. We show that a DecomposeRL-7B policy trained with full supervision on only ~5K curated claims achieves 86.3 in-domain and 69.8 out-of-domain balanced accuracy across 11 claim-verification benchmarks containing biomedical, political, scientific, and general-domain claims. Despite being 4x smaller, it matches 32B baselines and GPT-4.1-mini, and it further outperforms baselines in a semi-supervised setting with only 10% labeled claims data. Code, data, and models are available at https://dipta007.github.io/DecomposeRL
Authors: Yihong Tang, Andrew Robert Williams, Arjun Ashok, Vincent Zhihao Zheng, Lijun Sun, Alexandre Drouin, Issam H. Laradji, \'Etienne Marcotte, Valentina Zantedeschi
Abstract: Time series forecasting in real-world settings often depends not only on historical observations, but also on external context that must be actively discovered from noisy, heterogeneous information sources. Yet existing context-aided forecasting benchmarks typically assume that the supporting context is already provided, leaving open whether agents can identify it on their own. Therefore, we introduce Dr-CiK, a benchmark for evaluating whether agents can retrieve forecasting-relevant supporting context from a document corpus, filter out distractors, distill the retrieved context into forecast-useful evidence, and generate forecasts supported by that evidence. Through context ablations and evaluations of state-of-the-art deep research and forecasting methods paired together, we show that high-quality context substantially improves forecasting performance in Dr-CiK. However, most existing DR agents recover only a small fraction of the ground-truth supporting evidence (usually <5%), are frequently misled by distractors (>80% distractor citations), and can cause forecasters to perform worse with retrieved context than without context. Our results motivate research on foresight-driven agents that search for the right context to predict the future.
Authors: Gavin Brown, Ephraim Linder, Mahbod Majid, Vikrant Singhal
Abstract: We study efficient differentially private algorithms for estimating monotone statistics, i.e., statistics that are monotone under the addition of new observations. The starting point for our investigation is subsample-and-aggregate: a classical paradigm that partitions the dataset into blocks, estimates the statistic on each block, and then privately aggregates the estimates.While practical and generically applicable, this approach is quite data-hungry. We improve upon this framework for the class of monotone statistics -- compared to subsample-and-aggregate, our algorithms save a factor of $t$ in sample complexity and pay a factor of $e^t$ in running time, where $t>0$ is a tunable parameter. We complement our results with a query-complexity lower bound, showing that our algorithms are essentially optimal for this task. As an application, we obtain improved results for private eigenvalue estimation, private loss estimation, and privately estimating a single parameter of a high-dimensional model, e.g., in linear regression.
Authors: Junlin Wang
Abstract: Learning visuomotor policies via behavior cloning typically involves mimicking expert demonstrations collected by human operators. However, natural human demonstrations inherently contain high-frequency noise, such as intermittent jerks, pauses, and action jitter. Training policies to directly imitate these raw trajectories inevitably causes the model to inherit these suboptimal behaviors. This pathology is particularly pronounced in diffusion-based policies, where iterative denoising steps can inadvertently amplify high-frequency artifacts at the expense of meaningful fine-grained details. To address these limitations, we present a novel frequency-based algorithm that enables implicit spectral maneuvering and smooth action generation. Our method, Frequency Guidance Operator (FGO), steers the generation process of diffusion polices by progressively driving the noisy samples through intermediate sub-frequency manifolds with expanding spectral bands. Validated on 15 robotic manipulation tasks from 5 benchmarks, FGO achieves superior performance in enhancing action smoothness and temporal consistency while preserving the details necessary for successful task execution. Project website: https://henrywjl.github.io/frequency-guidance-operator/
URLs: https://henrywjl.github.io/frequency-guidance-operator/
Authors: Sudip Vhaduri, Ryan Gammon, Sayanton Dibbo
Abstract: The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new paradigm. This paper presents a comprehensive benchmarking study of classical and quantum machine learning models for image recognition on the MNIST handwritten digit dataset, evaluating both traditional models, a Classical Support Vector Machine (CSVM) and a Quantum Support Vector Machine (QSVM), and deep neural network models, a Classical Convolutional Neural Network (CCNN) and a Quantum Convolutional Neural Network (QCNN), across four performance dimensions: classification accuracy, computational runtime, parameter count, and memory requirements. Experiments are conducted as functions of both feature dimensionality and sample size, and across CPU and GPU execution environments, providing a controlled, multidimensional comparison to address gaps in prior work. For the SVM-based models, QSVM consistently outperforms CSVM in accuracy, reaching $\sim$ 0.90 versus $\sim$ 0.85 at 1,000 samples, with a higher computational cost. A feature count of 10 qubits and a sample size in the range of 200 -- 500 emerge as practical operating points that balance accuracy and runtime. For the neural network models, CCNN and QCNN achieve comparable classification accuracy, both exceeding 0.96 at 64 features and 60,000 samples, yet QCNN offers substantially superior parameter and memory efficiency, requiring $\sim$ 94\% fewer parameters and $\sim$ 75\% less memory than CCNN at higher feature counts, while incurring higher runtime. Across both model families, quantum models consistently outperform classical models by greater margins in accuracy as feature dimensionality or sample size increases.
Authors: Yuanhe Zhang, Xueting Wang, YanBin Ren, Haoran Gao, Xinhan Zheng, Zhenhong Zhou, Fanyu Meng, Li Sun, Sen Su
Abstract: Image inputs enable Large Vision Language Models (LVLMs) to perceive fine-grained visual information, but also introduce a pixel-level attack surface through which adversarial perturbations can elicit unsafe model behaviors. However, most existing defenses are designed for traditional computer vision settings and thus often overlook the cross-modal alignment required by LVLMs, leading to degraded performance. Meanwhile, the limited defenses tailored to LVLMs often require substantial image modifications and introduce considerable computational overhead, thereby compromising inference quality and efficiency. To address these limitations, we propose Structure-Induced Guided Neutralization (SIGN), a lightweight, plug-and-play defense framework that improves LVLM compatibility via Prior Structural Extraction and achieves efficient perturbation suppression via Dynamic Guided Neutralization. Extensive experiments show that SIGN achieves over 87\% defense success rate with only 0.5\% pixel modification and 0.16 seconds per image, while nearly preserving original visual representations and benign task performance. Our work offers a lightweight alternative to defenses that require costly model training and highlights the potential of exploiting a vision encoder for efficient adversarial protection. Our code is open source on https://anonymous.4open.science/r/SIGN-BCB1.
Authors: Kseniia Shilova, Abdelrahman Sharafeldin, Advay Balakrishnan, Hannah Choi
Abstract: Active sensing links behavior and learning through an action-perception loop: actions determine the observations used to update internal predictive models of perception, which subsequently guide the next actions. Predictive-coding frameworks provide a natural way to model this process, since internal representations are continuously updated to predict future observations. Here, we ask how exploratory and exploitative behavioral strategies shape these internal predictive representations. We build an online learning agent in a tree-like maze with a controllable parameter regulating the balance between exploratory and exploitative regimes. The agent updates a predictive-coding-based perception model from experience generated by its own behavior. The model predicts both future maze states and reward probability, allowing the agent to select actions either by expected information gain during exploration or by predicted reward during exploitation. We show that the resulting internal predictive representations depend strongly on the agent's behavioral regime. Exploratory agents develop representations that are more spatially organized and better preserve the structure of maze transitions in latent space. In contrast, exploitative agents learn less organized representations. We then train this predictive model on natural trajectories of water-deprived mice navigating the same maze and compare the resulting representations with those learned from agent trajectories. More exploratory mice show representational geometries that closely match those of exploratory agents, whereas mice with more restricted visitation patterns resemble reward-driven, exploitative agents. Together, these findings suggest that exploration enables predictive models to form generalized internal representations by organizing latent space around both spatial location and transition context in artificial agents and animals.
Authors: Yuan Tian, Bing Hu, Fang Wu, Xiaomin Li, Binghang Lu, Neil Zhenqiang Gong
Abstract: Think-with-image reasoning is emerging as a new inference paradigm for large vision-language models, but its safety implications remain poorly understood. Existing systems already span multiple process designs, including direct response generation, text-only prior turn, visual-state manipulation, and explicit external image-tool invocation. In this paper, we ask which of these evaluated paradigms improves multimodal jailbreak robustness, and why. Across multiple vision-language models, explicit image-tool interaction yields the lowest attack success rates in our experiments, reducing jailbreak success by around 30% relative on average across the evaluated models. This finding is initially surprising: ASR remains low even when the returned image-tool output is manually overridden or itself unsafe-looking, but returns near direct-answering levels under text-only prior turn controls. These results indicate that the lower ASR is not explained by benign returned-image semantics or by the textual image-tool trace alone. To explain the pattern, we introduce an image-tool safety vector framework that models image-tool invocation as a residual shift in hidden representations toward a safety-relevant direction. Representation-level analyses and activation interventions support this account. Overall, our results suggest that explicit image-tool interaction is a promising design pattern for improving jailbreak robustness, while also motivating pipeline-specific safety evaluation.
Authors: Yuya Onishi, Ryosuke Ota, Fumio Hashimoto, Kibo Ote, Go Akamatsu, Hideaki Tashima, Taiga Yamaya
Abstract: Scintillation detectors with excellent timing resolution enable more precise localization of radiation sources in positron emission tomography, leading to substantial improvements in diagnostic capability for diseases such as cancer and dementia. At the extreme timing precision required for such applications at the picosecond scale, detector performance is governed by the microscopic dynamics of scintillation photons generated within the detector and their subsequent detection processes. However, detector signals have conventionally been treated only as collective responses of many photons due to structural constraints inherent to photodetectors. In this study, we overcome this fundamental limitation using deep learning, enabling direct access to the timing information of individual photons. The proposed method estimates photon-by-photon arrival times directly from detector waveforms without requiring any modification to the detector structure; the method operates on an event-by-event basis without ground-truth labels by integrating an unsupervised learning framework with a physically informed detector-response model. Through comprehensive validation combining Monte Carlo simulation and experimental measurements across various detector configurations, we experimentally demonstrate improved timing resolution, visualized depth-of-interaction-dependent photon transport, and classified Cherenkov and scintillation photons based on the estimated photon-level timing information using a unified deep learning-based framework. These results provide experimental access to photon dynamics, bridging the gap between theoretical modeling and experimental observation, and they open a new data-driven pathway for discovery in detector physics and optimization.
Authors: Yewei Yuan, Michele Minervini, Mark M. Wilde, Nana Liu
Abstract: Principal component analysis (PCA) is traditionally implemented through a covariance or kernel matrix, leading-eigenvector extraction, and hard rank-$k$ projection. These steps can be computationally costly in high-dimensional and quantum-data settings, sensitive to small eigengaps, and unnecessary when downstream tasks only require principal-subspace scores. Such score-based objectives are important in applications such as anomaly detection, spectral-energy profiling, and other postselection tasks. To address these needs, we introduce a measurement-based soft PCA framework replacing the hard top-$k$ projector with an entropy-regularized Fermi--Dirac filter. This filter is the unique optimizer of an entropy-regularized variational formulation of PCA and converges to the classical PCA projector in the zero-temperature limit. This filter has a direct interpretation as a quantum measurement, which naturally suggests a quantum approach. For centered covariance operators represented by quantum feature states, a single fixed circuit, together with threshold calibration, accesses all optimal filters for different rank budgets or retained-variance levels without rank-dependent circuit updates or eigenvector recovery. For new inputs, the same calibrated quantum circuit yields soft principal subspace scores, spectral energy profiles, and postselected filtered states. The required centering of both training and test data is performed coherently inside the quantum protocol, which is particularly important for quantum data where no classical feature vectors or centered Gram matrix are directly available. By reframing PCA as a calibrated measurement task, this framework bypasses the need for iterative eigenvector extraction and achieves a dimension-independent sample complexity $O(\eta^{-2})$ for normalized fractional-rank or retained variance scoring at additive accuracy $\eta$.
Authors: Yibo Jacky Zhang, Zeyu Tang, Sanmi Koyejo
Abstract: Backpropagation is the default learning rule for artificial neural networks and is often treated as the settled approach whenever differentiability is available. In this work, we revisit this convention through a theoretical lens of sample efficiency. We introduce a unified vectorized feedback framework for loss-based and reward-based learning on computational graphs, in which synthetic gradients emerge as a natural alternative to backpropagation. We characterize the conditions under which synthetic gradients can achieve a lower gradient-estimation mean squared error than backpropagation. We construct examples illustrating that this sample efficiency advantage can be arbitrarily large. Experiments on contextual bandits and reinforcement learning tasks demonstrate the potential of our theoretical findings.
Authors: Sachin Kumar
Abstract: Linear probes trained on LLM activations are increasingly proposed as deception-detection metrics, yet report AUROC exceeding 0.96 on clean benchmarks while collapsing under distributional shift. This paper systematically pressure-tests probe-based metrics across the Gemma 3 model family (1B-27B parameters), diagnosing why they fail rather than merely documenting that they fail. We test four hypotheses about deception encoding: (1) single linear direction, (2) multi-dimensional subspace, (3) convex conic hull, (4) entropy proxy. Our design includes cross-domain transfer matrices, multi-dimensional probe analysis with permutation null baselines, entropy-residualization tests, and distractor evaluations across 8 stylistic shifts. We find that: (a) probes achieve near-perfect AUROC (>=0.998) on clean data but collapse under stylistic shifts; style-augmented probes recover near-perfect detection (mean AUROC 0.979-0.983) on unseen styles; (b) the single-direction hypothesis is rejected (k=1 captures only 0.61-0.80 AUROC), with cross-domain transfer failure confirmed as geometric rather than layer-mismatch-driven; (c) the entropy-proxy hypothesis is rejected (max |rho|=0.454, max Delta-AUROC after residualization=0.004); and (d) deception does not form a significant linear subspace (per-domain k*=0), yet multi-dimensional probes (k>=5) recover the signal through distributed sub-threshold features. Probe fragility reflects distributional narrowness rather than an architectural limitation: style-augmented probes recover near-perfect detection at both 4B and 27B, establishing that the inverse scaling pattern is a training-distribution artifact rather than a genuine scale-dependent phenomenon.
Authors: Luyang Fang, Yongkai Chen, Jiazhang Cai, Ping Ma, Wenxuan Zhong
Abstract: Knowledge distillation is a powerful method for model compression, enabling the efficient deployment of complex deep learning models (teachers), including large language models. However, its underlying statistical mechanisms remain unclear, and uncertainty evaluation is often overlooked, especially in real-world scenarios requiring diverse teacher expertise. To address these challenges, we introduce \textit{Multi-Teacher Bayesian Knowledge Distillation} (MT-BKD), where a distilled student model learns from multiple teachers within the Bayesian framework. Our approach leverages Bayesian inference to capture inherent uncertainty in the distillation process. We introduce a teacher-informed prior, integrating external knowledge from teacher models and task-specific training data, offering better generalization, robustness, and scalability. Additionally, an entropy-based weighting mechanism adaptively adjusts each teacher's influence, allowing the student to combine multiple sources of expertise effectively. MT-BKD enhances the interpretability of the student model's learning process, improves predictive accuracy, and provides uncertainty quantification. We validate MT-BKD on both synthetic and real-world tasks, including protein subcellular location prediction and image classification. Our experiments show improved performance and robust uncertainty quantification, highlighting the strengths of our MT-BKD framework.
Authors: Minhao Yao, Ruoyu Wang, Xihong Lin, Lin Liu, Zhonghua Liu
Abstract: Deep neural networks (DNNs) have achieved remarkable empirical success, yet their training dynamics remain understood mainly from optimization rather than statistical principles. Here we develop a statistical framework for DNN training in the over-parameterized regime by showing that the prediction induced by continuous-time neural tangent kernel (NTK) gradient flow is exactly equivalent to that from a classical random-effects model. In this framework, training time acts as a variance component, or equivalently an empirical Bayes covariance hyperparameter, governing the allocation of variation from noise to structured signal. This equivalence reveals an optimization-inference duality: the gradient-flow path is both an optimization trajectory and an empirical Bayes random-effects inference path. Conditional on training time, the network output is the posterior mean of the latent signal, and estimating training time by restricted maximum likelihood (REML) turns early stopping into likelihood-based empirical Bayes inference rather than external tuning. This perspective yields a two-stage inferential procedure. First, a variance-component test determines whether DNN training captures statistically significant structure beyond initialization. Second, conditional on training being warranted, REML provides a likelihood-based early stopping rule. The resulting stopping time admits a spectral interpretation in the NTK eigenbasis, where training proceeds until spectral loss decorrelation is achieved. We further establish that REML-guided early stopping achieves asymptotically optimal prediction error for fixed-design in-sample prediction and, under additional random-design regularity conditions, for out-of-sample prediction. This work reframes DNN training as statistical inference and provides a principled foundation for deciding whether and how long to train deep neural networks.
Authors: Himanshu Beniwal, Mayank Singh
Abstract: Large language models frequently generate toxic, hateful, or harmful content, yet existing mitigation methods rely on costly retraining or output-level filtering with no mechanistic insight into where toxicity originates internally. We introduce Meow2X and TRNE, two complementary retraining-free frameworks that localize toxicity to specific layers and neurons by analyzing activation differentials between toxic and neutral prompts, then suppress them via inference-time scaling or minimal rank-one weight edits -- without any gradient descent. Evaluations across five LMs, two benchmarks, and 90 configurations using dual safety evaluators demonstrate consistent toxicity reduction while preserving language modeling quality. Our analysis reveals that toxicity is disproportionately encoded in early MLP layers, varies across architectures, and is systematically underestimated by single-evaluator setups -- underscoring the need for multi-evaluator safety assessment. By bridging mechanistic interpretability with practical detoxification, our framework offers a principled path toward safer, more transparent language models.
Authors: Kohsei Matsutani, Gouki Minegishi, Takeshi Kojima, Yusuke Iwasawa, Yutaka Matsuo
Abstract: Large language models (LLMs) can now solve complex problems through long chain-of-thought (CoT) reasoning, but the trade-off between performance and token cost remains a central challenge. To address this issue, supervised fine-tuning (SFT) often uses compressed reasoning data, where CoT traces are shortened into compact forms. However, the effect of such compressed reasoning data on post-training remains poorly understood. In this paper, we propose a taxonomy of CoT consisting of Explicit CoT, which outputs all operations without aggregation, Composed CoT, which combines multiple operations into a single step, and Implicit CoT, which omits intermediate operations. We construct a synthetic compositional reasoning task that allows controlled variation of difficulty, compression granularity, and data size, and conducted a comprehensive set of experiments across different model families and sizes. Notably, we find that (i) coarser CoT requires more SFT data, (ii) compared with Explicit CoT, Composed CoT and Implicit CoT benefit more from data scaling, while Composed CoT benefits from data repetition and Implicit CoT tends to lead to memorization, (iii) unlike SFT, subsequent reinforcement learning (RL) with verifiable rewards (RLVR) decomposes compressed steps learned during SFT, and (iv) unidirectional CoT ordering shows stronger generalization on longer sequential tasks. Our findings provide implications for CoT design under data resource constraints and offer important insights into the mechanisms of SFT and RL in LLM post-training.
Authors: Hyeonjeong Ha, Jeonghwan Kim, Cheng Qian, Jiayu Liu, William M. Campbell, Yue Wu, Yuji Zhang, Kathleen McKeown, Dilek Hakkani-Tur, Heng Ji
Abstract: Memory-augmented large language models extend reasoning beyond a fixed context window by maintaining long-term memory across interactions. However, existing memory systems often collapse stable user facts, episodic events, and behavioral rules into a shared space, allowing functionally distinct memories to be retrieved and used as interchangeable evidence. We identify this failure mode as heterogeneous memory contamination, where context-specific events become overgeneralized claims, or semantically relevant but functionally incompatible memories mislead generation. To this end, we introduce MemGuard, a type-aware memory framework that preserves functional memory boundaries during memory construction and retrieval. It assigns each memory an explicit functional role at write time, maintains relations across type-isolated memories, and selectively composes evidence only from necessary memory types, reducing contamination from irrelevant or functionally incompatible evidence. Across hallucination and long-horizon conversation benchmarks, MemGuard improves memory reliability by up to 28.27% while retrieving up to 5.8x fewer memory tokens than prior methods. These results suggest that reliable long-term reasoning depends on principled organization and selective use of heterogeneous memory.
Authors: Ziqi Zhao, Xinyu Ma, Liu Yang, Yujie Feng, Daiting Shi, Jingzhou He, Xin Xin, Zhaochun Ren, Xiao-Ming Wu
Abstract: On-policy self-distillation (OPSD) improves the reasoning performance of large language models (LLMs) by providing dense token-level supervision for on-policy rollouts. However, existing OPSD methods often yield limited gains on in-domain reasoning and generalize poorly to out-of-domain problems. We identify two key causes: conditioning the self-teacher on a verified solution encourages imitation of training-domain reference trajectories rather than error-specific correction, and applying distillation to the full response can overwrite valid reasoning prefixes and reinforce overfitting. We propose Reflective On-policy Self-Distillation (ROSD), a framework that turns reference-solution imitation into targeted reasoning correction through reflection-guided, error-localized distillation. For each rollout, ROSD uses a self-reflector to extract a corrective idea and locate the first erroneous span. The corrective idea guides the self-teacher toward targeted supervision, while the localized error span restricts distillation to where correction is needed. This design corrects flawed reasoning while preserving valid prefixes. Experiments on multiple in-domain and out-of-domain reasoning benchmarks show that ROSD yields stronger in-domain reasoning performance overall and substantially better out-of-domain generalization than standard OPSD. Code is available at https://github.com/ZiqiZhao1/ROSD.
Authors: Myeongsoo Kim, Eunji Kim, Minwoo Chae, Sangwoo Mo
Abstract: Diffusion models steer conditional generation with a tunable guidance scale to trade off prompt alignment and diversity. However, existing debiasing techniques are optimized for a single scale, degrading fairness when users adjust this parameter. We trace this behavior to a previously overlooked source by decomposing total bias into two components: a model bias and a guidance bias. While prior work primarily targets the former, we show that the guidance bias grows monotonically with the guidance scale, eventually dominating the high-guidance regimes users prefer. To address this, we extend Strong Demographic Parity to guidance and derive a condition under which the target distribution retains its group ratio across guidance scales. We propose StayFair, which leverages this condition to design fair guidance algorithms in both regimes. For classifier guidance, it equalizes the classifier's output distributions across groups; for classifier-free guidance, it shifts the null embedding by a prompt-dependent offset. Because StayFair modifies only the guidance step, it is orthogonal to model debiasing and can be layered onto existing fair diffusion models to extend their fairness across guidance scales. Across class-conditional and text-to-image generation, StayFair decouples fairness from the guidance scale without sacrificing image quality.
Authors: Liu O. Martin, Lucas Bandarkar, Nanyun Peng
Abstract: Modern large language models (LLMs) achieve state-of-the-art machine translation performance, but they do so as broad generalists largely trained for many tasks and capabilities unrelated to translation. Thus, they are heavily overparameterized for this task, resulting in excessive memory and compute requirements. In this paper, we present a method for aggressively pruning experts from modern mixture-of-experts LLMs while incurring negligible degradation in translation quality. Our approach exploits expert specialization and the separability of multilingual capabilities in LLMs to identify experts irrelevant to translation. And because of the modular nature of MoEs, these can be easily pruned without any training. Without retraining, we are able to prune half of all experts with negligible degradation and 70% with only minor losses. With a very short SFT, we prune 75% of experts while recovering baseline performance, and in some settings remove nearly 90% while maintaining reasonable translation quality. Overall, our results show that translation requires only a fraction of the LLM, enabling substantial compression of the MoE blocks that contain over 90% of parameters.
Authors: Huikang Liu, Aras Selvi, Wolfram Wiesemann
Abstract: We design a class of additive noise mechanisms that satisfy \((\varepsilon, \delta)\)-differential privacy (DP) for scalar, real-valued query functions with known sensitivities, with a particular focus on moderate and low-privacy regimes. These mechanisms, which we call \textit{mixture mechanisms}, are constructed by mixing multiple Gaussian distributions that share the same variance but differ in their means and mixture weights. The resulting distributions can be interpreted as convex combinations of a zero-mean Gaussian (as used in the analytic Gaussian mechanism) and additional Gaussians whose means depend on the sensitivity of the query function. We derive tight conditions on the variances required for \((\varepsilon, \delta)\)-DP and provide efficient algorithms to compute them. Compared to the analytic Gaussian mechanism, our mechanisms yield substantially lower expected noise amplitudes (\(l_1\)-loss) and variances (\(l_2\)-loss for zero-mean distributions). In the low-privacy regime that motivates our design, our mechanisms approach optimality, mitigating nearly all of the optimality gap of the analytic Gaussian mechanism.
Authors: Felix Friedrich, Lukas Helff, Niharika Hegde, Patrick Schramowski, Kristian Kersting
Abstract: Text-to-image models trained on large-scale data often inevitably ingest unsafe content. While some people observe input-output amplifications, it remains unclear whether and how training data composition directly drives model output safety or by other factors. We shed light on this question by isolating this variable: we train the same text-to-image model on datasets that differ \emph{only} in their fraction of unsafe images (0\% to 9.6\%), across several dataset scales (100K to 8M). Then we generate images with the resulting models, and evaluate them with four independent safety classifiers. Output unsafety rises monotonically from 16.6\% at 0\% contamination to 25.5\% at 5\%. A factorial design reveals that the \emph{proportion}, not the absolute count, of unsafe training images is the operative variable. The 16.6\% irreducible baseline at zero contamination implicates the other components, e.g. frozen text encoder, as a residual safety risk -- confirmed by a text encoder ablation showing that SafeCLIP reduces this floor to 9.6\%, while the dose-response effect persists across all three encoders tested. Critically, no quality degradation in terms of FID, CLIPscore and ImageReward accompanies safety filtering. These results establish that data curation and text encoder safety are complementary and independently effective interventions. At the same time, the remaining level of unsafety poses questions for future research about emerging capabilities and compositionality.
Authors: Shadmehr Zaregarizi, Khashayar Yavari
Abstract: We present an adaptive reservoir computing framework for the CTF-4-Science Lorenz benchmark, which evaluates machine learning models across twelve distinct tasks spanning five qualitatively different scenarios: baseline forecasting, noisy signal reconstruction, forecasting under noise, few-shot learning, and parametric generalization. Rather than applying a uniform inference strategy, we tailor the training and prediction procedure of Echo State Networks (ESNs) to the specific demands of each evaluation scenario. Our key contributions are fourfold: (1) exact reservoir state synchronization that eliminates warmup approximation error in short-time prediction; (2) histogram-guided candidate selection that directly optimizes the long-time ergodic evaluation metric; (3) multi-seed reservoir search for few-shot regimes with severely limited training data; and (4) sequential multi-sequence training that resolves state-distribution mismatch in parametric generalization tasks. The proposed framework achieves a score of 74.91 on the public benchmark leaderboard, demonstrating that carefully adapted reservoir computing constitutes a competitive and computationally efficient approach for diverse chaotic system modeling challenges.
Authors: Pengcheng Zhao, Siqi Xiang, Weixin Jin, Zekun Ni, Jiang Bian, Zuliang Fang, Hongyu Sun, Bin Zhang, Richard E. Turner, Jonathan Weyn, Haiyu Dong, Kit Thambiratnam, Qi Zhang
Abstract: Accurate and timely weather forecasts are critical for high-impact decisions in modern society. Machine-learning-based weather prediction is emerging as an alternative for producing initial conditions, forecasts, and even both in end-to-end systems. These methods deliver predictions faster and often with higher skill than traditional numerical weather prediction (NWP). However, even end-to-end models typically rely on NWP-generated reanalyses for supervision, thereby inheriting the biases and resolution limitations of those NWPs, and limiting adaptation to settings where suitable reanalysis products are unavailable, infrequently updated, or expensive to produce. Here we introduce ObsCast, a regional system that generates both analysis and predictions, without using any NWP-derived data in either training or inference, while still achieving state-of-the-art performance in short-term high-resolution regional modeling. Over the contiguous United States and Europe, ObsCast outperforms operational NWP for near-surface variables through 18 h and produces skillful precipitation forecasts. It provides a simpler and more adaptable route to build and refine regional forecasting services directly from local observations, without the need to develop complex and costly traditional forecasting pipelines.
Authors: Nico Meyer, Christopher Mutschler, Dominik Seu{\ss}, Andreas Maier, Daniel D. Scherer
Abstract: Logical operations are essential for quantum computation within quantum error-correcting codes. However, discovering their physical realizations is challenging, especially for non-additive codes that lack a stabilizer description. We present a general learning-based framework that, given only an encoding circuit, constructs physical implementations of logical operations while enforcing structural properties such as transversality or shallow depth. Our approach is validated by rediscovering known logical operations of standard stabilizer codes. We then extend it to a co-design procedure, dubbed variational early fault-tolerant quantum computing (VarEFTQC), which tailors non-additive encodings to a given noise model and enforces desired logical gate sets, such as transversal IQP-type families or low-depth universal sets. A software library implements the complete learning pipeline, including loss-function variants, ansatz families, and optimization routines. Together, these results position VarEFTQC as a practical tool for discovering hardware-adapted logical gadgets for early fault-tolerant quantum computing.
Authors: Junhyuck Kim, Jihun Yun, Haechan Kim, Gyeongman Kim, Joonghyun Bae, Jaewoong Cho
Abstract: Mixture-of-Experts (MoE) is now the dominant architecture for frontier language models, yet it requires all expert parameters to be loaded in memory, making it less preferable for memory-constrained deployment. Existing compression methods reduce the number of experts but the output remains an MoE model with the same fundamental limitation. We present the first systematic framework for converting a trained MoE into a standard fully dense architecture: experts are scored, selected, and grouped, then concatenated into a dense FFN and refined by knowledge distillation from the MoE teacher. We evaluate 7 scoring, 5 grouping, and 2 magnitude scaling methods across a range of selected expert counts on Qwen3-30B-A3B, yielding 350 configurations. We find that the choice of scoring method is the most impactful, with our novel diversity-aware scoring consistently outperforming prior methods on Qwen3-30B-A3B, DeepSeek-V2-Lite, and GPT-OSS-20B. Under a controlled comparison at matched parameter count, MoE-to-dense outperforms dense-to-dense pruning by +6.3 pp in average downstream accuracy after ~4B-token distillation at 1.6x faster training wall-clock speed.
Authors: Chenxi Wang, Ruiyang Huang, Jiayan Sun, Lei Wei, Yifan Wu
Abstract: Latent-based multi-agent systems replace parts of explicit inter-agent communication with hidden representations, offering a new direction for efficient and flexible agent collaboration. However, moving coordination into latent space may also move attacks beyond the reach of visible-text inspection. In this paper, we study whether latent states can carry attack-associated information that remains effective during clean executions. To examine this question, we introduce a latent attack framework that reactivates attack-induced effects through latent interventions without reusing adversarial text. Extensive experiments show that the resulting latent-only attacks can substantially degrade task performance in clean executions, especially when applied to inter-agent KV-cache handoffs rather than local hidden states. Further control analyses indicate that this degradation cannot be reduced to arbitrary perturbations or invalid generation. Overall, our findings suggest that latent-based collaboration does not remove attack risk. It shifts part of the risk into less observable execution states, calling for safeguards beyond visible-text inspection.
Authors: Carmen Quiles-Ram\'irez, Leticia L. Rodr\'iguez, Nicol\'as Martorell, Natalia D\'iaz-Rodr\'iguez
Abstract: In-context learning (ICL) enables multimodal large language models (MLLMs) to classify images from a few labelled examples. Yet, how these models use the provided context remains opaque. While Chain-of-Thought prompting is widely used, recent work argues that it may not reflect true internal computation. In this paper, we systematically evaluate the concept-based explainability of frozen MLLMs under few-shot ICL using five conditions of increasing formal rigour, ranging from baseline classification to Description Logics (DL) axiom generation. Evaluating four state-of-the-art MLLMs via an independent LLM-as-a-judge pipeline, we demonstrate that explaining is genuinely harder than predicting alone. Surprisingly, forcing models to generate formally structured, concept-based explanations degrades predictive accuracy monotonically (from 93.8% to 90.1%), contradicting the assumption that explicit reasoning universally aids performance. However, when models successfully articulate class-discriminative visual features, explanation quality strongly correlates with correct predictions. Our findings suggest that while MLLMs excel at visual classification, they lack the specific instruction-tuning required for formal, machine-verifiable explainability.
Authors: Gennady Andrienko, Natalia Andrienko
Abstract: Unsupervised learning methods -- topic modeling, partition-based and density-based clustering -- produce data groupings without human guidance, yet choosing and evaluating those groupings should not itself be unsupervised. We present \emph{SmartIterator}~(SI), a visual analytics approach that treats the full sequence of grouping results across a parameter sweep as a first-class analytical object. For each method family, SI provides a structured six-phase workflow that guides the analyst through systematic exploration of grouping results -- from quality-metric overview through transition-stability assessment, membership-confidence evaluation, content and context inspection, and recurrent-archetype verification to an informed decision -- building cumulative understanding of data structure along the way. The workflows are operationalized through \emph{IteraScope}~(IS), a coordinated visual display combining quality-metric charts with semantic color encoding, a 1D group embedding with Sankey-style transition flows and violin plots of membership confidence, a 2D group embedding with HDBSCAN-detected recurrent archetypes that highlights iterations capturing all persistent patterns, and domain-specific linked views for contextualized interpretation. We demonstrate the three workflows on: (1)~simulated social-media messages from the VAST Challenge 2011 (density-based clustering, validated against ground truth), (2)~EU population statistics across ${\sim}1\,500$ NUTS-3 regions (partition-based clustering), and (3)~30 years of IEEE VIS papers (NMF topic modeling). The workflows constitute the main contribution: they provide actionable, method-specific guidance for navigating parameter spaces, studying how data structure evolves across configurations, and grounding analytical understanding in domain context -- yielding knowledge about the data that no single ``best'' result can provide.
Authors: Evgenii Palnikov, Elizaveta Gavrilova
Abstract: We study quality-latency-resource trade-offs in a documentation-grounded retrieval-augmented generation (RAG) system that uses Low-Rank Adaptation (LoRA) of the generator. We build a manually verified benchmark of 5,144 question-answer pairs over the official Kubernetes documentation and combine it with a fixed hybrid-retrieval pipeline (BGE-M3 dense, BGE-M3 native sparse, Reciprocal Rank Fusion, cross-encoder reranking). Over this benchmark we ablate 20 LoRA configurations on Llama-3.2-3B-Instruct and Llama-3.1-8B-Instruct across rank and target-module choices, and evaluate each on token-level F1, LLM-judged groundedness and correctness (pass@4), inference latency, inference memory, and training cost, all reported with bootstrap 95% confidence intervals. Pareto analysis shows that LoRA adapters acting only on the q and v attention projections consistently dominate the front, while the 3B/8B choice mainly defines operating regime. A param-matched control comparison further indicates that the q/v advantage is structural rather than purely parametric. The benchmark, selected adapters, and code are available at https://github.com/EugPal/rag-lora-tradeoffs.
Authors: Seungsu Kim, Jinyoung Choi, Seungmin Baek, Jean-Michel Renders
Abstract: We present ProgVLA, a compact vision-language-action (VLA) model designed for reliable robot manipulation under tight compute and memory budgets. The model specifically focuses on efficiently processing long multi-modal sequences by maintaining an explicit representation of task progress over extended horizons. To this end, ProgVLA integrates two key components. First, a multi-modal encoder with a two-stage Perceiver resampling scheme compresses variable-length visual, language, and proprioceptive streams into a fixed set of control-ready context tokens, substantially reducing sequence length while preserving cross-modal grounding. Second, an auxiliary set of progress heads is trained with offline reinforcement learning (RL) objectives to jointly learn critics over normalized remaining-horizon targets. This provides the policy with an internal estimate of task progress and enables advantage- and success-weighted flow-matching imitation learning. On two well-established multi-task robot manipulation benchmarks, a 0.1B-parameter ProgVLA model reaches success rates that are competitive with, and on long-horizon and harder task tiers exceed, substantially larger pretrained baselines. Ablations indicate that the learned context resampler and task-adaptive visual fine-tuning are the largest single contributors, while progress-aware training provides a consistent additional gain that is concentrated on long-horizon and multi-object tasks. We further validate the approach in real-world toy-kitchen environments.
Authors: M. Generali Lince, V. Divol, R. Flamary, S. Gaucher, P. Loiseau
Abstract: Fairness-accuracy trade-offs are a central concern in the deployment of fairness-aware machine learning methods. When sensitive attributes are unavailable at inference time-the so called unawareness setting, principled methods for obtaining accurate predictions under relaxed fairness constraints are largely missing. In this work, we address this gap by formulating regression under a demographic parity penalty as an optimal transport problem. Our framework unifies both the \emph{aware} and \emph{unaware} settings and characterizes optimal prediction functions via optimal transport maps, under both squared Wasserstein-2 and Total Variation penalties. These results reveal that the choice of penalty reflects fundamentally different fairness philosophies: the Wasserstein penalty induces a smooth, population-wide compromise, while Total Variation enforces exact parity for a subset of individuals. Building on these theoretical characterizations, we propose an algorithm that is simple to implement, computationally efficient, and consistently matches or outperforms state-of-the-art baselines on real-world benchmarks.
Authors: M. Generali Lince, S. Gaucher, J-J. Vie, P. Loiseau
Abstract: We consider the problem of learning a counterfactually fair regressor. We adopt a causal uncertainty view in which counterfactual fairness is defined with resampled noise. We focus on obtaining theoretical fairness guarantees for a new post-processing estimator. We begin by showing that counterfactual fairness is equivalent to satisfying demographic parity conditional on the latent variable. This allows us to provide a closed-form expression of the optimal fair regressor via a barycentric quantile map. In order to handle continuous latent variables, we propose a discretized post-processing method. Then, under mild regularity assumptions, we prove high-probability finite-sample fairness guarantees for our estimator, providing an unfairness decay at rate $\tilde O(n^{-1/3})$, and establishing a matching risk bound of order $\tilde O(n^{-1/3})$. We provide a matching lower bound on the excess risk of almost fair predictions. Finally, we extend our results to the setting of relaxed counterfactual fairness. We validate our approach on real-world and synthetic data.
Authors: Soeun Kim, Albert No
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) trains reasoning models without labeled trajectories, relying on grouped rollouts to expose the policy to alternative reasoning paths and a verifier to score them. Rollout diversity has accordingly emerged as a central bottleneck in RLVR, with most existing methods broadening exploration through temperature, prefix, or rollout-selection adjustments. We identify a structurally distinguished but overlooked position for broadening this diversity: the first token after the reasoning marker. The policy's first-token distribution exhibits a sharply peaked yet correctness-decoupled phenomenon, and this first token position can broaden the regions a rollout group covers without altering the correctness signal. We introduce REFT (Rollout Exploration with First-Token Diversification), a light addition to the RLVR pipeline that samples first tokens uniformly from the policy's own top-$N$ candidates and allocates rollouts evenly, leaving every other component unchanged. Trained on the resulting diversified rollouts, REFT improves aggregate Pass@1, Pass@8, and Pass@64 over DAPO and GRPO baselines across four base models (0.5B-7B) and three difficulty regimes.
Authors: Sascha G\"unther, Dimitri Semenovich, Mario V. W\"uthrich
Abstract: Traditional insurance pricing relies on risk-based principles that ensure actuarial fairness and solvency but do not explicitly account for policyholders' price sensitivity. We formulate insurance pricing as a decision-making problem and study it using tools from off-policy evaluation and stochastic control. We propose a kernelized inverse propensity score estimator that exploits local structure in the action space and yields variance reduction compared to the classical inverse propensity score estimator. Building on these value estimates, we investigate policy optimization and present two practical approaches for computing optimal pricing rules: an interpretable data-shared Lasso formulation and a flexible policy parameterization based on neural networks. Using a controlled synthetic travel insurance environment, we empirically confirm the theoretical results and show that neural networks outperform existing techniques for policy optimization.
Authors: Joris Depoortere, Hussain Kazmi, Johan Driesen
Abstract: The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal control requires correct forecasts of underlying parameters, such as photovoltaic power generation, to schedule the battery. While forecasting models have become increasingly accurate due to algorithmic advances and data availability, accuracy is typically measured in generic metrics which might not align with the downstream application. This study proposes a decision-focused learning framework that integrates optimization and prediction by training a Long Short-Term Memory photovoltaic energy forecaster on the downstream optimal scheduling of a battery system. The proposed methodology is compared against a standard two-phase approach. Across a 14-month evaluation period, the decision-focused method reduced average electricity costs across twenty buildings by 3.6% when normalized against performance bounds defined by a perfect forecast and a baseline of no optimization. Critically, this financial improvement was achieved despite the model exhibiting a root mean squared error of 19.9%, significantly higher than the decoupled model's 8.2%. Warm-starting the decision-focused model further improves results, lowering average cost by approximately 8%, while also mitigating the negative impact on statistical accuracy (root mean squared error of 13.7%). The findings are statistically significant at the 0.001 level across the twenty households and for each household individually. These results demonstrate that aligning forecast models with optimization goals is key for achieving cost advantages in PV-battery systems. Future research should replicate these findings on other datasets, alternate forecasting models and alternate optimization algorithms.
Authors: Lev Telyatnikov, Raffael Theiler, Leandro Von Krannichfeldt, Olga Fink
Abstract: Progress in Prognostics and Health Management (PHM) is hindered by the lack of standardized and reusable evaluation practices across tasks, datasets, and application domains. Reported results are often difficult to reproduce and compare, as key protocol choices, such as data splits, preprocessing, label alignment, temporal windowing, and metrics, are often implicit or implemented ad hoc. We introduce \picid, a modular evaluation infrastructure that formalizes the PHM evaluation pipeline as an explicit, executable, and reproducible protocol. Through well-defined abstractions, \picid enforces deterministic, leakage-safe dataset construction while remaining flexible across diverse PHM settings. The framework supports fault detection, diagnostics, and prognostics through a unified interface and can be extended to new datasets and model classes without violating protocol invariants. By standardizing data contracts and evaluation boundaries, \picid also enables fair cross-task comparisons across diagnostics (classification) and prognostics (regression), allowing identical model families to be evaluated consistently across heterogeneous settings. We demonstrate \picid through an empirical evaluation of thirteen models on twelve datasets spanning batteries, bearings, turbofan engines, hydraulics, filtration systems, and buildings. This work establishes a reusable foundation for standardized, fair and reproducible evaluation in PHM.
Authors: Wonyoung Kim, Min-Hwan Oh, Garud Iyengar, Assaf Zeevi
Abstract: Reinforcement learning with multinomial logistic (MNL) function approximation has become an important framework due to its flexibility and broad applicability. While existing studies have established regret guarantees under worst-case analysis, they do not capture how performance depends on the variability of the interaction between the learner and the environment. In this paper, we develop a new theoretical analysis for MNL-based Markov decision processes that yields explicit variance-adaptive regret bounds. Our algorithm is computationally efficient and achieves the instance-wise optimal rate of regret, narrowing the gap between upper and lower bounds. Our numerical experiments validate that our method learns optimal policies more efficiently than conventional approaches.
Authors: Raffael Theiler, Ludovico Comito, David Leko, Leandro Von Krannichfeldt, Lev Telyatnikov, Olga Fink
Abstract: Industrial Prognostics and Health Management (PHM) provides a representative case study for a broader challenge in applied machine learning: translating published papers into executable, benchmark-ready implementations. Reproducing under-specified methods in PHM is particularly difficult due to restricted access to industrial datasets, incomplete reporting of preprocessing and evaluation protocols, and implicit design choices (e.g., windowing, target construction, data splits) that critically affect performance. Existing paper-to-code systems generate implementations for individual papers, but these artifacts are often not directly comparable due to inconsistencies in assumptions and evaluation settings. We introduce \emph{agentic, framework-based PHM paper reproduction}, where an agent translates a paper into a shared PHM benchmark framework via a \emph{slot-binding interface}. This interface maps equations and protocol descriptions into structured components (task definitions, dataset adapters, windowing, targets, models, and evaluators), while explicitly recording unresolved assumptions. The resulting implementations are validated against standardized task contracts and evaluation hooks, enabling consistent and comparable benchmarking. We evaluate this approach on 16 PHM papers, comparing framework-enhanced, skill-based and prompt-based agentic reproduction against a recent framework-free paper-reproduction agent. We assess reproduction success, model-based code evaluation, framework binding of paper assumptions, and cross-paper benchmark comparability under standardized protocols. Our results show that coupling agentic generation with a shared framework transforms paper reproduction from isolated code synthesis into executable, assumption-aware, and systematically comparable benchmark implementations.
Authors: Junha Min, Junghyeon Ma, Jiwung Kwon, Sunggyu Bae, Joohyung Kim, Kyungseo Park
Abstract: Direct physical guidance is a natural means of teaching and interacting with robots, and robotic skins make a key contribution by enabling sensitive contact sensing and localization. This paper presents a tactile-proprioceptive sensor fusion framework for natural physical human-robot interaction. Tactile cues from pneumatic skin pads serve as contact indicators that bypass the ambiguity between frictional residues and applied external forces, enabling highly sensitive contact detection without explicit friction identification. We fuse these cues with motor-current-based proprioception to reconstruct multi-axis contact forces on the robot surface. To maintain accuracy during motion, we employ a temporal convolutional network (TCN) to mitigate friction hysteresis during stick-slip transitions, reducing uncertainty at contact onset and yielding smooth, responsive guidance. We validate the approach on a skin-integrated robot arm: (i) multi-axis forces are reconstructed in stationary contacts, and (ii) simultaneous force estimation and kinesthetic teaching are demonstrated. Results indicate improved sensitivity and responsiveness across diverse contact conditions compared with tactile-only and proprioceptive-only baselines, supporting tactile-proprioceptive fusion as a reliable pathway to safe, intuitive physical human-robot interaction.
Authors: Shaolong Chen, Madalina Ciobanu, Qingqing Mao, Ritankar Das
Abstract: DPO has become a widely adopted alternative to RLHF for aligning LLMs with human preferences, eliminating the need for a separate reward model or RL loop. Recent theoretical analysis uncovers an asymmetric gradient behavior in DPO: the loss suppresses dispreferred responses substantially faster than it promotes preferred ones, causing the model to learn to avoid bad answers rather than to generate good ones. We propose AdaDPO, a Self-Adaptive variant of the DPO algorithm that introduces per-preference-pair, stop-gradient-based coefficients derived directly from the policy model's generation probabilities, with the reference model's probabilities as an optional component. AdaDPO is constructed to enforce equality of gradient magnitudes between preferred and dispreferred probabilities; the practical implementation balances per-token gradients and applies a numerical clipping bound for stability, while retaining DPO's original hyperparameter structure. On Llama-3-8B-Instruct trained on UltraFeedback under a SimPO similar setup, AdaDPO consistently outperforms DPO on AlpacaEval 2: it achieves higher length-controlled win rates (LC) in 81% of hyperparameter combinations, attains the global best LC (48.3%) and raw win rate (46.1%), and enlarges the LC-over-WR margin in 88% of combinations, indicating effective mitigation of length bias. Additional analyses on KL divergence, reward margin, and reward accuracy confirm that AdaDPO rectifies the gradient imbalance and yields more efficient optimization. Because it operates purely at the loss level, AdaDPO can be dropped into existing preference-based alignment pipelines without changing data collection or model architectures. The method requires only a few lines of code, and the same self-adaptive principle generalizes to a broad family of pairwise contrastive preference losses including SimPO, R-DPO, IPO, CPO, and ORPO.
Authors: Yiming Zhang, Ryo Tamura, Koji Tsuda
Abstract: Materials process optimization requires reasoning over routes, conditions, tools and causal dependencies, yet most computational formulations flatten synthesis procedures into text or ordered steps. We introduce MatProcBench, a provenance-grounded benchmark constructed from literature-mined MatPROV graphs, to evaluate seven process-reasoning tasks spanning route continuity, step-level variable inference and global causal consistency under both same-split and shift-aware evaluation, including a strict dual-OOD split that combines temporal and material-class shift. We further introduce ProvMind, a process-memory reasoning framework that retrieves analogous training processes, converts them into provenance-aware option-level compatibility scores, and uses a language model for constrained final decision making. ProvMind achieves 52.84\% accuracy on the dual-OOD split, outperforming prompting, retrieval-augmented and supervised fine-tuning baselines.
Authors: Simon Queric, C\'edric Vincent-Cuaz, Charles Bouveyron, Marco Corneli
Abstract: We study inference in stochastic block models (SBMs) through the lens of optimal transport (OT). We first establish that maximum likelihood variational inference (MLVI) can be interpreted as a semi-relaxed Gromov-Wasserstein (srGW) projection with entropic regularization. While this formulation yields accurate clustering, the entropic regularization prevents transport plans to be sparse, hindering intrinsic model selection. Consequently, we investigate unregularized srGW estimators, and prove that they consistently recover both the SBM connectivity matrix and latent cluster assignments in the asymptotic regime. However, this asymptotic property does not translate into reliable model selection in finite samples, and calls for additional mechanisms to promote sparsity in the inferred cluster proportions. We empirically show that such a regularized formulation yields estimators that simultaneously recover model parameters and select the number of clusters in a single optimization problem, thereby avoiding costly grid search or heuristic model selection procedures.
Authors: Dylan Bouchard, Mohit Singh Chauhan, Zeya Ahmad, Ho-Kyeong Ra
Abstract: Large language models have shown impressive capabilities in code generation, yet they often produce functionally incorrect code. Uncertainty quantification (UQ) methods have emerged as a promising approach for detecting hallucinations in natural language generation, but their effectiveness for code generation tasks remains underexplored. We systematically evaluate how UQ techniques transfer to code generation across three programming languages, five LLMs, and over 1,700 problems. We find that some token-probability-based methods generalize effectively without modification, while sampling-based methods relying on natural language inference (NLI) fail because NLI models cannot distinguish functionally different code, causing most responses to collapse into a single semantic cluster. To address this, we introduce functional equivalence methods, a family of code-specific methods that replace NLI-based semantic equivalence with an LLM-based functional equivalence assessment, including functional entropy, a code-specific analog of semantic entropy. Functional equivalence methods achieve top AUROC in 11 out of 15 model-benchmark combinations and the best calibration across most settings, consistently outperforming both NLI-based counterparts and all other methods evaluated.
Authors: William Laplante, Yuga Hikida, Charita Dellaporta, Fran\c{c}ois-Xavier Briol, Ayush Bharti
Abstract: Simulation-based inference with neural posterior estimation (NPE) often yields overconfident and unreliable posteriors under limited simulation budgets. To address this, we propose DRO-NPE, a distributionally robust approach that replaces the standard NPE objective with a worst-case loss over a Wasserstein ambiguity set. We introduce KL-based metrics for miscoverage and miscalibration, and use these to show that the DRO-NPE objective controls overfitting and reduces posterior overconfidence. Our method is tractable, parallelisable, and readily integrates with standard normalising flows. Across benchmark SBI tasks, DRO-NPE consistently improves coverage and calibration, while narrowing the gap between empirical and population NPE loss, leading to more reliable inference in low-simulation regimes.
Authors: Avrile Floro, Luca Benedetto
Abstract: LLMs often default to equal treatment across cultural groups, even though context warrants differentiation: this is a lack of difference awareness. Using mechanistic interpretability and a factorial design on the N4 cultural appropriation benchmark from Wang et al. (2025), we identify 2-3 mid-layer attention heads per model that contribute causally to cultural binding across eight models (four architectures, base and instruct). Cultural binding is the process of associating cultural items with the appropriate identity. Knockout of the identity-to-item edges on these heads lowers the binding strength by 9-23%. The identified heads transfer from instruct to base models, suggesting that cultural binding is created at pre-training. An $\alpha$-scaling shows a graded dose-response and moderate amplification steering at generation ($\alpha = 2-3$) increases cultural differentiation accuracy by 1-3 pp while leaving neutral reasoning mostly intact. A knowledge probing task shows that models know 3-5 times more than they act upon it, indicating that the bottleneck lies in routing and not knowledge.
Authors: Yantong Wei, Kaihong Huang, Hainan Pan, Jiawei Luo, Jiawei Zhou, Ziyan Mai, Zhiwen Zeng, Yaonan Wang, Huimin Lu
Abstract: The pursuit of humanoid athletic sprints is hindered by a scarcity of humanoid-viable kinematic reference data and the inability of existing frameworks to maintain stability during sprints. To overcome these limitations, we introduce SPRINT, a novel framework driven by efficient, frequency-adaptive spectral priors. By characterizing the fundamental periodicity of human locomotion in the frequency domain using a reference library of five discrete motion sequences, these priors generate kinematically feasible joint trajectories across a broad velocity spectrum, successfully extrapolating to speeds that exceed the reference distribution. Guided by these pretrained priors, the SPRINT policy achieves zero-shot sim-to-real transfer in field experiments on the Unitree G1 platform, reaching a peak sprinting velocity of 6 m/s and demonstrating seamless gait transitions while preserving biomimetic naturalness. Ultimately, this work establishes frequency-adaptive spectral priors as a highly data-efficient foundation for humanoid athletic sprints. The project page is available at https://anonymous.4open.science/w/SPRINT-138A/.
Authors: Yanwen Huang, Lok Ming Lui, Gary P. T. Choi
Abstract: Many imaging problems require computing spatial transformations induced by spatially varying intensity, feature, or density fields. Canonical examples include distortion correction, deformable image registration, atlas-based segmentation, and deformation-driven image analysis. These tasks can be formulated as geometric mapping problems in which the transformation is constrained to preserve local structure, control boundary behavior, or regulate angular distortion. Such formulations typically lead to variational models, diffusion processes, or elliptic partial differential equations. However, repeatedly solving high-resolution systems becomes computationally expensive when the underlying parameter fields vary across instances. In this work, we propose a resolution-free neural surrogate for geometric parameterization and mapping problems. Given a spatially varying parameter field $p:\Omega\to\mathbb{R}^m$ and query locations $\{x_i\}_{i=1}^N\subset\Omega$, the model predicts mapped locations $\{u(x_i)\}_{i=1}^N$ on arbitrary structured or unstructured point sets. To avoid dependence on a fixed grid, we use a multi-resolution geometric encoding strategy that conditions the network on coordinate-augmented samples of the parameter field. The model is trained without labeled solution data by enforcing geometry-aware constraints derived from variational energies, diffusion-based density equalization, and quasi-conformal theory. Experimental results on quasi-conformal mapping and density-equalizing mapping problems are presented to demonstrate the effectiveness of our proposed method.
Authors: Saurabh Dash, Pierre Clavier, John Dang, Matthias Galle, Marzieh Fadaee, Ahmet \"Ust\"un, Beyza Ermis
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has improved language models in domains such as mathematics and code, where correctness can be checked automatically. However, many important tasks are only partially verifiable: prompts contain multiple requirements, responses may satisfy some but not all of them, or no single reference answer might exist. We introduce Soft-RLVR, a framework for reinforcement learning from decomposed, learned verification signals. Soft-RLVR converts each prompt into a checklist of atomic requirements, scores candidate responses item by item with an LLM verifier, and trains on the resulting soft reward. Checklist-based rewards turn sparse pass/fail supervision into a denser partial-credit signal, but they also introduce a tradeoff: averaging item-level judgments can reduce verifier noise, while partial credit can reward incomplete responses. We formalize this tradeoff and identify conditions under which checklist-based verification gives a more reliable RL training signal than holistic verification. We further introduce Soft-SVeRL, a self-verifying variant of Soft-RLVR in which the policy also acts as the verifier. We show that self-verification is prone to reward inflation from overly permissive self-judgments, and that explicit stabilization is needed to prevent this collapse. In a controlled instruction-following setting with rule-based ground-truth evaluation, checklist-based Soft-RLVR improves IFEval by up to 11.1 points using only learned verifier rewards. Our experiments further show that verifier quality and checklist quality both affect downstream RL outcomes, and that explicit stabilization is essential for effective self-verification.
Authors: Guni Sharon
Abstract: Large Language Models (LLMs) have demonstrated remarkable reasoning capabilities, yet their standard generation process -- auto-regressive token prediction -- is inherently myopic and prone to cascading errors. To address this, the Tree-of-Thoughts (ToT) framework creates a search space over intermediate reasoning steps, allowing search models to explore, look ahead, and backtrack. However, current ToT research remains fragmented across Natural Language Processing and Automated Planning communities, often using inconsistent terminology and ad-hoc implementations. Consequently, we synthesize the ToT landscape through a unified taxonomy based on classical heuristic search terminology. We map LLM-based reasoning to classical search components: state representation (granularity of thoughts), successor generation (prompting operators), and heuristic evaluation (self-assessment of progress). We analyze existing work within the context of our taxonomy and identify emerging design patterns: systematic search (Best-First Search) for shallow, deterministic tasks and lookahead-heavy strategies (DFS, MCTS) for deep multi-step reasoning. We conclude by identifying open algorithmic challenges at the intersection of heuristic search and LLM reasoning, and call on the heuristic search community to engage with this emerging domain.
Authors: Jack Bell, Giacomo Carf\`i, Gerlando Gramaglia, Vincenzo Lomonaco
Abstract: AI model hubs provide access to a rapidly growing collection of powerful pre-trained models, enabling off-the-shelf mixture-of-experts systems with different routing strategies. However, this rapid growth poses two fundamental challenges: scaling model selection across thousands of experts and continually updating routing mechanisms as new models and tasks are introduced. In this paper, we formalise this setting as Continual Model Routing (CMR) and propose CMRBench, a new large-scale benchmark simulating realistic hub expansion and including over 2,000 candidate models. Finally, we introduce CARvE, a contrastive embedding approach for efficient continual model routing via checkpoint-based anchoring and structured replay. Extensive empirical results and ablations show that CARvE significantly outperforms zero-shot retrieval, fine-tuning, and adapter-merging baselines in model, family, and domain-level accuracy.
Authors: Kangyu Wu, Peng Cui, Guoxi Chen, Ya Zhang
Abstract: Ensuring both safety and efficiency in decision-making for autonomous driving systems remains a fundamental challenge. Traditional Deep Reinforcement Learning (DRL) suffers from unsafe random exploration and slow convergence, while Large Language Models (LLMs) demonstrate inherent latency in real-time inference operations. To address these limitations, this paper proposes SARAD, a novel safety-aware hybrid framework that synergizes LLMs and DRL for autonomous driving. SARAD substitutes the random exploration of DRL with Retrieval-Augmented Generation (RAG)-enhanced, LLM-guided decisions sourced from a dynamic expert knowledge repository. An attention discriminator is proposed to integrate the prior knowledge of LLMs into DRL policy optimization. A collision predictor module, fine-tuned with historical collision data, is further designed to improve vehicle safety. Extensive experiments show that SARAD achieves significant performance improvements in the Highway-Env simulator, validating the effectiveness of the proposed model in autonomous driving.
Authors: Satoshi Tanaka, Takahiro Nishimichi, Yosuke Kobayashi
Abstract: \textsc{DarkEmulator2} is a neural network emulator of the nonlinear matter power spectrum in a nine-dimensional $w_0 w_a \nu o \mathrm{CDM}$ parameter space, developed as the emulator component of the \textsc{Dark Quest II} (DQ2) program. It is trained on simulations generated with the \textsc{Ginkaku} code, whose numerical implementation, accuracy tests, and post-processing pipeline are described in the companion paper. The design follows a unified strategy: in addition to the cosmological parameter vector, we supplement the neural network's inputs with three families of physically motivated auxiliary quantities -- the linear matter power spectrum, descriptors of the simulation resolution, and a low-dimensional summary of the initial Gaussian random field -- that are expected to improve generalization across the parameter space. Training a single network jointly across three simulation resolution tiers allows the emulator to exploit a small number of high-resolution simulations while retaining broad coverage from lower-resolution simulations. For a $L_{\mathrm{box}}=1\,\hiGpc$ box with $N=3000^{3}$ particles, the emulator reproduces the simulated matter power spectrum to subpercent accuracy up to the particle Nyquist scale, $k_{\mathrm{Ny}}\simeq 10\,\hMpci$. The emulator remains accurate over the calibrated wavenumber range, while its highest-$k$ predictions depend on the simulation resolution and shot noise. We validate the emulator on independent test suites and, through a cross-comparison with several public emulators and widely used fitting formulas, characterize the inter-model consistency and the parameter-dependent trends in their residuals.
Authors: Jianwei Li, Jung-Eun Kim
Abstract: This position paper argues that the AI/ML community should stop overclaiming and retire the label "positive backdoor," and instead treat trigger-activated hidden behaviors as Secret Alignment. Crucially, protective claims based on Secret Alignment should be presumed not secure by default unless supported by rigorous, standardized evaluation. The Private AI era, enabled by open-weight LLMs and accessible training/inference stacks, turns language models into privately owned digital assets, creating security concerns around unauthorized access, model theft, and behavioral misuse. Recently, a line of work framed as "positive backdoors" has been proposed to address these challenges. To ground our position in evidence, we unify these proposals as covert trigger-behavior associations for access gating, ownership attribution, and safety enforcement, and evaluate three representative applications across six core properties: effectiveness, harmlessness, persistence, efficiency, robustness, and reliability. Our results reveal substantial brittleness - especially in the confidentiality, integrity, and availability (CIA) - of trigger-behavior mappings often underrepresented by existing claims. We further relate these outcomes to behavior density and decision complexity, offering a behavioral lens for understanding deployment-time risks and motivating community-wide evaluation that makes Secret Alignment claims provable.
Authors: Jingzhe Wang, Hung-Hsu Chou
Abstract: This paper studies the stability of low-rank implicit regularization in perturbed deep matrix factorization, where the target matrix is corrupted by a noise matrix. We first derive sufficient spectral conditions under which gradient descent exhibits a low-rank phase in the noiseless setting. These conditions show how the target spectrum, initialization, and step size jointly determine the existence of a nonempty low-rank interval. We then analyze the perturbed gradient descent dynamics, proving convergence guarantees and quantifying how the perturbation affects iteration complexity and eigenvalue recovery. Finally, we show that the low-rank phase persists under perturbation, with explicit dependence on the perturbation size. Numerical experiments support the theoretical findings.
Authors: Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo, Hirotaka Oshima
Abstract: Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system. Preparing such ensembles state-by-state is prohibitive in both variational and fault-tolerant settings, motivating a generative-modeling approach. We introduce latent-conditioned parameterized quantum circuits (LPQCs), a hybrid quantum-classical framework in which classical neural networks map a latent variable sampled from a prior distribution to the parameters of a parameterized quantum circuit. We prove that LPQCs are universal approximators for probability measures over density operators in the $1$-Wasserstein distance, extending classical universal approximation theorems to the quantum-distribution setting. We additionally introduce a multimodal latent prior and a mixture-of-experts circuit architecture, and show that it empirically alleviates the barren plateau problem during optimization. Numerical experiments validate the framework on a synthetic multi-cluster ensemble of mixed quantum states and on a QM9-derived ensemble of 3-D molecular structures. In these tasks, LPQC outperforms recent quantum generative baselines while remaining competitive with typical classical baselines at substantially reduced output dimensionality. By leveraging classical expressivity in the latent space, LPQCs offer a tractable route to quantum generative modeling.
Authors: Aisha Aijaz, Rahul Goel, Arnav Batra, Raghava Mutharaju
Abstract: Critical decision-making in socially consequential spaces is increasingly involving AI systems at varying capacities. Yet, despite the ubiquity of autonomous systems, most approaches to handling autonomous moral decision-making resort to scalar or binary judgments. These methods are insufficient for acceptable moral reasoning, as they provide little explanation, leaving out imperative contextual and theoretical information that must be included to support accountability. For this, we propose a framework to model moral reasoning as a distribution over normative ethical theories or ethical pluralism. We introduce a normative ethics simplex that integrates these theories. A benchmark of 450 cases across 15 fine-grained subtheories was also prepared for the purposes of stacked ensemble learning. These cases describe ethical dilemmas in natural language and have associated extracted contextual features. The implementation of the simplex was achieved via a two-stream normative-semantic architecture. This is followed by the fusion of normative information and a sequential, stacking ensemble to learn the best fit of the three broad theories: consequentialism, virtue ethics, and deontology, and the 15 subcategories. Our experiments demonstrate that the integration of contextual and normative priors with the semantic embeddings significantly improves the performance of the classification, displaying an accuracy of 88.89%. We conducted ablation studies to show that structured ethical representations contribute beyond analogical reasoning, and the chosen stacking architecture gives the best results due to the gradual learning of granularity. Ethical pluralism is also analyzed through entropy, confidence, and visualization. Thus, modeling ethical pluralism as a probabilistic normative distribution supports human-like moral reasoning, ethical disagreement analysis, and future alignment in AI systems.
Authors: Krishnam Gupta
Abstract: We discover that VLA architectures fail in fundamentally different, predictable ways at the motor-command level. Running VQ-BeT, Diffusion Policy, and ACT on identical evaluation protocols (n=450 episodes across PushT and ALOHA 14-DOF bimanual manipulation), we find: (1) direction reversal rate is a universal failure predictor across all three architectures (AUROC=0.93, 0.79, 0.91; p<0.001); (2) jerk monitoring is predictive only for discrete-token architectures, following a discrete-to-continuous gradient (0.88, 0.69, 0.41); (3) velocity violations alone are non-predictive everywhere (AUROC 0.41-0.69), yet velocity checking is the most common safety mechanism in VLA deployment code; and (4) for continuous-family VLAs, velocity monitoring provides effectively zero predictive signal (AUROC=0.52 on ACT, 0.41 on Diffusion), proving that architecture-matched monitor selection is essential. These results quantify a monitoring consequence of the well-known discrete/continuous VLA distinction: the two families produce qualitatively different failure signatures that require different monitors. No single monitor works universally; architecture-matched selection is required. This finding was enabled by SafeContract, a training-free, black-box action monitoring toolkit with conformal calibration. Code: https://github.com/krishnam94/vla-edge
Authors: J\"urgen D\"olz, Michael Multerer, Michele Palma
Abstract: Robustness of neural networks is commonly quantified via local or global Lipschitz constants. However, Lipschitz continuity can be overly coarse or overly restrictive as global robustness measure, failing to capture nuanced, data-dependent behavior. We propose a data-driven, architecture-agnostic framework based on the discrete modulus of continuity (DMOC), a non linear generalization of Lipschitz continuity that provides a finer notion of robustness. Unlike many existing approaches, DMOC does not require access to model internals and instead evaluates regularity relative to the data distribution. This shifts the focus from the model to the data, which provide a data-driven baseline of regularity against which the network's robustness is assessed. We establish convergence results for DMOC-induced seminorms with explicit data-driven rates in terms of the separation distance, and introduce a scalable minibatch algorithm that reduces the quadratic cost of exact computation, enabling application to large-scale data sets such as ImageNet. Empirically, DMOC serves as an architecture independent diagnostic: it distinguishes trained from untrained networks, reveals underfitting and overfitting regimes, and yields, as a special case, tight Lipschitz estimates comparable to state-of-the-art method such as ECLipsE and ECLipsE-fast.
Authors: Xinle Deng, Ruobin Zhong, Hujin Peng, Xiaoben Lu, Yanzhe Wu, Guang Li, Buqiang Xu, Yunzhi Yao, Jizhan Fang, Haoliang Cao, Junjie Guo, Yuan Yuan, Ziqing Ma, Yuanqiang Yu, Rui Hu, Baohua Dong, Hangcheng Zhu, Ningyu Zhang
Abstract: Memory is essential for enabling large language models to support long-horizon reasoning, yet existing memory systems remain unreliable and difficult to debug. Tracing memory's dynamic evolution is crucial to understand how information is synthesized, propagated, or corrupted over time. In this work, we study the new problem of error tracing and attribution in LLM memory systems. We propose a novel framework that transforms memory pipelines into executable memory evolution graphs, enabling fine-grained tracing of operational information flow. We then construct MemTraceBench, a benchmark collected from representative memory systems such as Long-Context, RAG, Mem0, and EverMemOS, to systematically study memory failure modes. We further introduce an automatic attribution method that iteratively traces operation subgraphs to pinpoint the root cause of any failed case. Our analysis reveals that memory failures are systematic, stemming from operation-level issues like information loss and retrieval misalignment. Crucially, we leverage these fine-grained attribution signals to guide downstream prompt optimization, establishing a closed-loop system that automatically corrects faults and boosts end-task performance by up to 7.62%. Code will be released at https://github.com/zjunlp/MemTrace.
Authors: Richard J. Young, Gregory D. Moody
Abstract: A general-purpose language model that answers a harmful question returns text; a coding model that complies with a malicious request can return a working weapon -- a keylogger, a ransomware stub, an exploit that runs as written. This asymmetry in the severity of a single act of compliance implies coding-specialized models should clear a higher refusal bar than general-purpose chat models, not a lower one, yet the field cannot presently tell whether they do. Refusal benchmarks for malicious code are fragmented: they mix requests for executable software (ready-to-run weapons) with requests for harmful security knowledge (information a human must still operationalise) and report refusal rates over non-comparable corpora, so no single statistic measures the property that actually matters. This paper introduces an expanded consensus-labeled prompt bank that distinguishes between these two request types and provides a construct-stable substrate for cross-corpus coding-model compliance measurement. Eight corpora (ASTRA, CySecBench, AdvBench/harmful_behaviors, JailbreakBench, MalwareBench, RedCode, RMCBench, Scam2Prompt) are consolidated and classified under a five-judge consensus protocol (6,675 prompts x 5 judges = 33,375 calls). The panel reaches Fleiss' kappa = 0.767 [95% CI 0.755, 0.777] ("substantial"); 95.0% of prompts draw at least four agreeing judges, 76.9% are unanimous, and the panel reproduces the earlier four-corpus release at Cohen's kappa = 0.952 on the 3,133 shared prompts. The released bank comprises 4,748 consensus-CODE prompts (executable malicious code requests) and 1,923 consensus-KNOWLEDGE prompts (harmful security knowledge requests). The bank is the validated instrument the field has lacked: a reliability-quantified basis for testing whether coding models meet the stricter refusal standard their executable output demands.
Authors: Jizhan Fang, Buqiang Xu, Zhixian Wang, Haoliang Cao, Xinle Deng, Baohua Dong, Hangcheng Zhu, Ruohui Huang, Gang Yu, Ying Wei, Guozhou Zheng, Feiyu Xiong, Haofen Wang, Huajun Chen, Ningyu Zhang
Abstract: Existing memory-augmented LLM agents often treat memory as a static repository with pre-defined representations and fixed retrieval pipelines, which is brittle in dynamic agentic environments where feedback, task variation, and heterogeneous signals continuously reshape what should be remembered and how it should be connected. To address this, we propose FluxMem, a connectivity-evolving memory framework that models memory as a heterogeneous graph and progressively refines its topology through three stages: initial connection formation, feedback-driven refinement, and long-term consolidation. During execution, FluxMem repairs missing links, prunes interference, aligns abstraction granularity, and distills recurrent successful trajectories into reusable procedural circuits, guided by one metric for memory generalizability and evolutionary maturity. Across three fundamentally distinct benchmarks including LoCoMo, Mind2Web, and GAIA, FluxMem achieves consistent state-of-the-art performance, demonstrating strong adaptation and generalization in complex agentic environments. The code will be open-sourced in https://github.com/zjunlp/LightMem.
Authors: Thomas Vitry, Kieran Edgeworth, Stefan Wermter, Jae Hee Lee
Abstract: Vision classifiers can exploit spurious correlations, achieving high in-distribution accuracy yet failing under distribution shift. Existing approaches to bias mitigation and analysis often depend on curated datasets, spurious-attribute or group labels, or retraining, which may be infeasible once a model is deployed or the relevant bias is unknown. We present a bias-label-free, post-hoc method for identifying spurious concepts in frozen vision models, relying only on standard class labels from a held-out audit dataset. For each target class, we collect patches from inputs predicted as that class and apply non-negative matrix factorization to intermediate activations to obtain a bank of interpretable concept vectors. Candidate concepts are then ranked with a bias estimator derived from their interaction with backpropagated gradients on misclassified examples: bias concepts tend to get activated when correcting false negatives and suppressed when correcting false positives. On Colored MNIST and Waterbirds the method recovers concepts aligned with the known spurious cue, and on CelebA it surfaces decision-relevant directions that only partially coincide with the annotated gender attribute; suppressing the top-ranked concepts at inference time improves worst-group accuracy by up to 17.9 percentage points on Waterbirds and 10.4 on CelebA without any retraining or parameter updates. Our method identifies decision-relevant spurious directions that need not coincide with annotated ones, providing both an interpretable auditing tool and an actionable debiasing handle for frozen vision models. Code is available at https://github.com/vitryt/label-free-bias-identification.
URLs: https://github.com/vitryt/label-free-bias-identification.
Authors: Abhilash Durgam, Nyle Siddiqui, Jeffrey A. Chan-Santiago, Qiushi Fu, Elakkat D. Gireesh, Mubarak Shah
Abstract: Electroencephalography (EEG) is a critical, non-invasive method to monitor electrical brain activity. EEGs can span anywhere from a couple seconds to multiple hours, posing a major hurdle for existing deep learning methods due to two major factors: (1) existing EEG models are predominantly built upon the attention mechanism, incurring quadratic scaling as the sequence length increases, and (2) raw EEG signals must be processed in a sliding-window fashion due to fixed-length input requirements, preventing global understanding of the entire signal. To this extent, we propose CaMBRAIN - the first Causal, Mamba-based state space model (SSM) capable of real-time inference of EEG signals, arguing that bidirectional approaches are needlessly expensive given the causal, unidirectional nature of EEG. However, training such a model is non-trivial, as crucial EEG events can be extremely brief - within fractions of a second - yet separated by long intervals spanning minutes. Current EEG methods use self-supervised objectives that optimize for signal reconstruction, but these are not well suited for streaming SSMs; they fail to explicitly train the hidden state to retain the salient long-range context needed for streaming inference. We therefore introduce a multi-stage self-supervised training pipeline specifically tailored to encourage long-range memory retention and strong performance on EEG signals, while preserving the linear-time complexity of state space models. CaMBRAIN achieves state-of-the-art (SOTA) results across 3 different EEG datasets with >10x higher throughput than existing models, enabling the first model capable of long-range, continuous inference of variable-length EEG signals.
Authors: Xinyu Wang, Mingze Li, Sicheng Lyu, Dongxiu Liu, Kaicheng Yang, Ziyu Zhao, Yufei Cui, Xiao-Wen Chang, Peng Lu
Abstract: Vision-Language-Action (VLA) models unify perception, reasoning, and control within a single policy, yet their multi-billion-parameter backbones and diffusion-based action heads make on-device deployment prohibitively expensive. Prior quantization efforts offer only partial solutions, compressing the LLM backbone while leaving the DiT action head at full precision, or resorting to mixed-precision schemes, driven by the belief that uniformly quantizing the action head is inherently unstable. We challenge this assumption with Omega-QVLA, the first training-free post-training quantization framework that compresses both the language backbone and the entire diffusion action head of a VLA model to a uniform W4A4 precision, eliminating the need for mixed-precision allocation. Omega-QVLA combines a composite SVD-Hadamard rotation that equalizes per-channel weight energy while diffusing residual activation outliers with per-step DiT activation scaling quantization that absorbs dynamic-range drift across denoising steps. On LIBERO, Omega-QVLA compresses Pi 0.5 and GR00T N1.5 to W4A4 with 98.0% and 87.8% task success rates, matching or exceeding their FP16 references of 97.1% and 87.0%, while reducing the static memory footprint by 71.3%. Real-world manipulation experiments further confirm smooth, accurate manipulation where prior methods fail. Code is available at https://github.com/UCMP13753/Omega-QVLA.
Authors: Xinchen Zhang, Bowei Liu, Jiale Liu, Chufan Shi, Yizhen Zhang, Junhong Liu, Youliang Zhang, Zhiheng Li, Yujiu Yang, Ling Yang
Abstract: Visual outcomes are increasingly central to multimodal large language models, making reliable and fine-grained verification essential for scaling generalist foundation models. In this work, we investigate multimodal meta-verification, which leverages verifier-generated rationales rather than decision-only signals, and explore how to effectively incorporate meta-verification feedback into multimodal verifier training. We identify two key findings. First, symbolic verifier outputs (e.g., bounding boxes) outperform textual explanations as meta-verification rationales, enabling efficient rule-based reinforcement learning rewards while avoiding reliance on model-based rewards from auxiliary judge models. Second, decoupling reinforcement learning objectives for binary judgment and meta-verification substantially outperforms joint reward optimization, due to intrinsic differences in output structure and learning dynamics. Based on these insights, we train OmniVerifier-M1, a generalist visual verifier leveraging symbolic meta-verification and decoupled reinforcement learning. OmniVerifier-M1 provides robust verification and fine-grained error localization, and further enables M1-TTS, a verifier-driven agentic generation system achieving dynamic region-level self-correction. This approach paves the way for more reliable, interpretable, and fine-grained multimodal verification, supporting safer and more controllable foundation model deployment.
Authors: Zhen-Hao Xie, Yu-Cheng Shi, Da-Wei Zhou
Abstract: Class-Incremental Learning (CIL) is important in building real-world learning systems. In CLIP-based CIL, the model performs classification by comparing similarity between visual and textual embeddings obtained from template prompts, e.g., ``a photo of a [CLASS]''. This seemingly monolithic matching process can be decomposed into two conceptually distinct stages: attribute extraction and attribute aggregation. For example, a model may recognize cat using attributes such as fur texture and whiskers. When learning a new class like car, the model must extract additional attributes like wheels and adjust how they are aggregated in the shared representation space. However, since only data from the current task is available, incremental updates can bias both attribute extraction and aggregation toward new classes, leading to catastrophic forgetting. Therefore, we propose AREA for attribute extraction and aggregation in CLIP-based CIL. To stabilize extraction, we anchor class-level visual and textual attributes on the hyperspherical embedding space via principal geodesic analysis. To stabilize aggregation, we learn lightweight task-specific experts with scoring and residual refinement, regularized by a variational information bottleneck objective. During inference, we perform routing over task attribute manifolds via optimal transport for more concise prediction. Experiments show that AREA consistently outperforms SOTA methods. Code is available at https://github.com/LAMDA-CL/ICML2026-AREA.
Authors: Jiahe Pan, Stelian Coros, Jitendra Malik, Toru Lin
Abstract: A primary bottleneck in contact-rich manipulation is the difficulty of collecting real-world data. Sim-to-real reinforcement learning offers a scalable alternative, but the simulation-reality gap prevents information-dense modalities like touch from being effectively used. Existing sim-to-real methods often mitigate this gap by simplifying tactile data into coarse low-dimensional features -- sacrificing the richness required for complex manipulation. In this work, we introduce Center-of-Pressure (CoP), an effective tactile representation grounded in physical principles that preserves dense contact information while maintaining robustness for sim-to-real transfer. To support this representation, we propose a sensor calibration scheme based on differentiable dynamics, enabling the estimation of taxel orientations without requiring ground-truth force measurements. We evaluate CoP on two blind, challenging contact-rich manipulation tasks: peg-in-hole insertion and ball balancing. Across both tasks, policies conditioned on CoP achieve zero-shot sim-to-real transfer on a multi-fingered hand, and outperform both coarse binary-contact and raw-taxel baselines. Analysis of learned policy states further suggests that CoP-conditioned policies encode task-relevant physical properties, such as object mass, as an emergent byproduct of control.
Authors: Jean Kaddour, Aengus Lynch, Qi Liu, Matt J. Kusner, Ricardo Silva
Abstract: Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This perspective enables us to reason about the effects of changes to this process (interventions) and what would have happened in hindsight (counterfactuals). We categorize work in CausalML into five groups according to the problems they address: (1) causal supervised learning, (2) causal generative modeling, (3) causal explanations, (4) causal fairness, and (5) causal reinforcement learning. We systematically compare the methods in each category and point out open problems. Further, we review data-modality-specific applications in computer vision, natural language processing, and graph representation learning. Finally, we provide an overview of causal benchmarks and a critical discussion of the state of this nascent field, including recommendations for future work.
Authors: Manuel Castanares, Luis F. S. Carrete, Enrico F. Damiani, Leonardo D. M. de Abreu, Jos\'e Fernando B. Brancalion, Fabr\'icio J. Barth
Abstract: The Drone Swarm Search project is an environment, based on \textsc{PettingZoo}, that is to be used in conjunction with multi-agent (or single-agent) reinforcement learning algorithms. It is an environment in which the agents (drones), have to find the targets (shipwrecked people). The agents do not know the position of the target and do not receive rewards related to their own distance to the target(s). However, the agents receive the probabilities of the target(s) being in a certain cell of the map. The aim of this project is to aid in the study of reinforcement learning algorithms that require dynamic probabilities as inputs. A peer-reviewed paper describing version 2 of this software has been published in JOSS: https://doi.org/10.21105/joss.06746.
Authors: Hallgrimur Thorsteinsson, Valdemar J Henriksen, Daniel I R Cruz, Raghavendra Selvan, Tong Chen
Abstract: As deep learning (DL) models are increasingly being integrated into our everyday lives, ensuring their safety by making them robust against adversarial attacks has become increasingly critical. DL models have been found to be susceptible to adversarial attacks by introducing small, targeted perturbations to disrupt the input data. Adversarial training has been presented as a mitigation strategy that can result in more robust models. This adversarial robustness comes with additional computational costs required to design adversarial attacks during training. The two objectives -- adversarial robustness and computational efficiency -- then appear to be in conflict with each other. In this work, we explore the effects of neural network compression on adversarial robustness. We specifically explore the effects of fine-tuning on compressed models, and present the trade-off between standard fine-tuning and adversarial fine-tuning. Our results show that adversarial fine-tuning of compressed models can yield large improvements to their robustness performance. We present experiments on several benchmark datasets showing that adversarial fine-tuning of compressed models can achieve robustness performance comparable to adversarially trained models, while also improving computational efficiency. Source code is available here: https://github.com/saintslab/Adver-Fine.
Authors: Samuel Chun-Hei Lam, Justin Sirignano, Ziheng Wang
Abstract: We prove that a single-layer neural network trained with the online actor critic algorithm converges in distribution to a random ordinary differential equation (ODE) as the number of hidden units and the number of training steps $\rightarrow \infty$. In the online actor-critic algorithm, the distribution of the data samples dynamically changes as the model is updated, which is a key challenge for any convergence analysis. We establish the geometric ergodicity of the data samples under a fixed actor policy. Then, using a Poisson equation, we prove that the fluctuations of the model updates around the limit distribution due to the randomly-arriving data samples vanish as the number of parameter updates $\rightarrow \infty$. Using the Poisson equation and weak convergence techniques, we prove that the actor neural network and critic neural network converge to the solutions of a system of ODEs with random initial conditions. Analysis of the limit ODE shows that the limit critic network will converge to the true value function, which will provide the actor an asymptotically unbiased estimate of the policy gradient. We then prove that the limit actor network will converge to a stationary point.
Authors: Connall Garrod, Jonathan P. Keating
Abstract: Low dimensional structures appear ubiquitously in the eigenspectra of deep learning matrices in classification networks trained in the overparameterized regime. While theoretical advances have aimed to explain this phenomenology, they typically succeed only in capturing subsets of the full behavior or rely on assumptions that cannot hold in practice. In this work, we provide an analytic explanation for the bulk plus outlier structure of several canonical deep learning matrices, including the Hessian, gradients, and weights. We achieve this using unconstrained feature models (UFMs), a now-common tool for studying the emergence of deep neural collapse (DNC). We show that DNC is the source of these low dimensional eigenspectra, in each case, the eigenvalues and eigenvectors can be constructed from feature means, the characterizing objects of DNC. This provides a unifying analytic explanation for a wide range of spectral phenomena in deep learning and goes beyond empirical characterizations, which typically focus on eigenvalues, by providing a detailed analysis of eigenvectors. We prove that our results hold for both linear and ReLU networks and provide numerical validation in both the modeling context and standard deep-network architectures on canonical datasets.
Authors: Calvin Yeung, Zhuowen Zou, SungHeon Jeong, Wenjun Huang, Nathaniel D Bastian, Mohsen Imani
Abstract: Hyperdimensional Computing (HDC) is a computationally and data-efficient paradigm that acts as a bridge between connectionist and symbolic approaches to artificial intelligence (AI). However, HDC's simplicity poses challenges for encoding complex compositional structures, especially in its binding operation. To address this, we propose Generalized Holographic Reduced Representations (GHRR), an extension of Fourier Holographic Reduced Representations (FHRR), a specific HDC implementation. GHRR introduces a flexible, non-commutative binding operation, enabling improved encoding of complex data structures while preserving HDC's desirable properties of robustness and transparency. In this work, we introduce the GHRR framework, prove its theoretical properties and its adherence to HDC properties, explore its kernel and binding characteristics, and perform empirical experiments showcasing its flexible non-commutativity, enhanced decoding accuracy for compositional structures. We also demonstrate that binding in GHRR is more expressive than that in other HDC variants; in particular, we show that binding in GHRR can implement a kind of attention mechanism. We verify this by replacing the attention mechanism in a transformer with its GHRR-equivalent and testing it on a language modeling task, showing improved performance compared to a vanilla transformer.
Authors: Tianchi Yu, Jingwei Qiu, Jiang Yang, Ivan Oseledets
Abstract: In this paper, we propose to use Sinc interpolation in the context of Kolmogorov-Arnold Networks, neural networks with learnable activation functions, which recently gained attention as alternatives to Multilayer Perceptron. Many different function representations have already been tried, but we show that Sinc interpolation proposes a viable alternative, since it is known in numerical analysis to effectively represent both smooth functions and functions with singularities. This is important not only for function approximation but also for solving the partial differential equations with physics-informed neural networks. Through a series of experiments, we show that SincKANs provide better results in almost all of the examples we have considered.
Authors: Renye Yan, Yaozhong Gan, You Wu, Junliang Xing, Ling Liangn, Yeshang Zhu, Yimao Cai
Abstract: In sparse reward scenarios of reinforcement learning (RL), the memory mechanism provides promising shortcuts to policy optimization by reflecting on past experiences like humans. However, current memory-based RL methods simply store and reuse high-value policies, lacking a deeper refining and filtering of diverse past experiences and hence limiting the capability of memory. In this paper, we propose AdaMemento, an adaptive memory-enhanced RL framework. Instead of just memorizing positive past experiences, we design a memory-reflection module that exploits both positive and negative experiences by learning to predict known local optimal policies based on real-time states. To effectively gather informative trajectories for the memory, we further introduce a fine-grained intrinsic motivation paradigm, where nuances in similar states can be precisely distinguished to guide exploration. The exploitation of past experiences and exploration of new policies are then adaptively coordinated by ensemble learning to approach the global optimum. Furthermore, we theoretically prove the superiority of our new intrinsic motivation and ensemble mechanism. From 59 quantitative and visualization experiments, we confirm that AdaMemento can distinguish subtle states for better exploration and effectively exploiting past experiences in memory, achieving significant improvement over previous methods.
Authors: Jintang Li, Ruofan Wu, Yuchang Zhu, Huizhe Zhang, Zulun Zhu, Liang Chen
Abstract: Graph autoencoders (GAEs) and graph contrastive learning (GCL) are two major paradigms for self-supervised representation learning on graphs, yet they are often studied in isolation and treated as fundamentally different approaches. In this work, we revisit GAEs through the lens of contrastive learning and show that both structure-based and feature-based GAEs can be conceptualized as implicitly graph contrastive learners. This perspective reveals that many existing GAEs differ primarily in how contrastive views are constructed, rather than in their learning objectives or architectures. Building on this insight, we introduce a unified formulation that highlights contrastive view design as a central and previously less explored dimension in GAEs. In particular, we identify asymmetric contrastive views, arising from mismatches in subgraph views, as an important yet underexplored design axis in prior GAE research. We formalize this insight within a unified framework and conduct systematic experiments on representative graph learning tasks to examine its impact on performance and efficiency. Our results show that interpreting GAEs as implicit contrastive learners offers a clearer understanding of existing models and provides practical guidance for designing effective and scalable graph autoencoders.
Authors: Aishwarya Mandyam, Shengpu Tang, Jiayu Yao, Jenna Wiens, Barbara E. Engelhardt
Abstract: Off-policy evaluation (OPE) is critical for applying contextual bandit algorithms to high-stakes decision-making settings such as healthcare, where new treatment policies must be evaluated prior to deployment. Unfortunately, OPE techniques are inherently limited by the breadth of the available data, which may not be sufficient to evaluate the performance of a new policy. Recent work attempts to improve dataset coverage by adding expert-annotated counterfactual samples. However, such annotations are often imperfect and can lead to worse estimator performance than using no annotations at all. To better leverage imperfect annotations, we propose a family of OPE estimators grounded in the doubly robust (DR) framework, which combines importance sampling (IS) with a reward model (direct method, DM) for better statistical guarantees. We study three ways of incorporating counterfactual annotations. Under mild assumptions, we prove that using annotations within just the DM component yields the most desirable theoretical results. Experiments on multiple healthcare tasks, including real-world electronic health records (EHR) data, show that this strategy is most robust under misspecified reward models and inaccurate annotations. By addressing the challenges posed by imperfect annotations, this work broadens the applicability of OPE methods and facilitates safer deployment of decision-making policies in healthcare.
Authors: Yikang Gui, Prashant Doshi
Abstract: Inverse reinforcement learning (IRL) has progressed significantly toward accurately learning the underlying rewards in both discrete and continuous domains from behavior data. The next advance is to learn {\em intrinsic} preferences in ways that produce useful behavior in settings or tasks which are different but aligned with the observed ones. In the context of robotic applications, this helps integrate robots into processing lines involving new tasks (with shared intrinsic preferences) without programming from scratch. We introduce a method to inversely learn an abstract reward function from behavior trajectories in two or more differing instances of a domain. The abstract reward function is then used to learn task behavior in another separate instance of the domain. This step offers evidence of its transferability and validates its correctness. We evaluate the method on trajectories in tasks from multiple domains in OpenAI's Gym testbed and AssistiveGym and show that the learned abstract reward functions can successfully learn task behaviors in instances of the respective domains, which have not been seen previously.
Authors: Xiaohong Yang, Minghui Liwang, Xianbin Wang, Zhipeng Cheng, Seyyedali Hosseinalipour, Huaiyu Dai, Zhenzhen Jiao
Abstract: The rapid growth of AI-enabled Internet of Vehicles (IoV) calls for efficient Machine Learning (ML) solutions that can handle high vehicular mobility and decentralized data. This has motivated the emergence of Hierarchical Federated Learning over vehicle-edge-cloud architectures (VEC-HFL). Nevertheless, one aspect which is underexplored in the literature on VEC-HFL is that vehicles often need to execute multiple ML tasks simultaneously, where this multi-model training environment introduces crucial challenges. First, improper aggregation rules can lead to model obsolescence and prolonged training times. Second, vehicular mobility may result in inefficient data utilization by preventing the vehicles from returning their models to the network edge. Third, achieving a balanced resource allocation across diverse tasks becomes of paramount importance as it majorly affects the effectiveness of collaborative training. We take one of the first steps towards addressing these challenges via proposing a framework for multi-model training in dynamic VEC-HFL with the goal of minimizing global training latency while ensuring balanced training across various tasks, a problem that turns out to be NP-hard. To facilitate timely model training, we introduce a hybrid synchronous-asynchronous aggregation rule. Building on this, we present a novel method called Hybrid Evolutionary And gReedy allocaTion (HEART). The framework operates in two stages: first, it achieves balanced task scheduling through a hybrid heuristic approach that combines improved Particle Swarm Optimization (PSO) and Genetic Algorithms (GA); second, it employs a low-complexity greedy algorithm to determine the training priority of assigned tasks on vehicles. Experiments on real-world datasets demonstrate the superiority of HEART over existing methods.
Authors: Max Rudolph, Nathan Lichtle, Sobhan Mohammadpour, Alexandre Bayen, J. Zico Kolter, Amy Zhang, Gabriele Farina, Eugene Vinitsky, Samuel Sokota
Abstract: In the past decade, motivated by the putative failure of naive self-play deep reinforcement learning (DRL) in adversarial imperfect-information games, researchers have developed numerous DRL algorithms based on fictitious play (FP), double oracle (DO), and counterfactual regret minimization (CFR). In light of recent results of the magnetic mirror descent algorithm, we hypothesize that simpler generic policy gradient methods like PPO are competitive with or superior to these FP-, DO-, and CFR-based DRL approaches. To facilitate the resolution of this hypothesis, we implement and release the first broadly accessible exact exploitability computations for five large games. Using these games, we conduct the largest-ever exploitability comparison of DRL algorithms for imperfect-information games. Over 7000 training runs, we find that FP-, DO-, and CFR-based approaches fail to outperform generic policy gradient methods. Code is available at https://github.com/nathanlct/IIG-RL-Benchmark and https://github.com/gabrfarina/exp-a-spiel .
URLs: https://github.com/nathanlct/IIG-RL-Benchmark, https://github.com/gabrfarina/exp-a-spiel
Authors: Yutong Wang, Pengliang Ji, Chaoqun Yang, Kaixin Li, Ming Hu, Jiaoyang Li, Guillaume Sartoretti
Abstract: The LLM-as-a-Judge paradigm shows promise for evaluating generative content but lacks reliability in reasoning-intensive scenarios, such as programming. Inspired by recent advances in reasoning models and shifts in scaling laws, we pioneer bringing test-time computation into LLM-as-a-Judge, proposing MCTS-Judge, a resource-efficient, System-2 thinking framework for code correctness evaluation. MCTS-Judge leverages Monte Carlo Tree Search (MCTS) to decompose problems into simpler, multi-perspective evaluations. Through a node-selection strategy that combines self-assessment based on historical actions in the current trajectory and the Upper Confidence Bound for Trees based on prior rollouts, MCTS-Judge balances global optimization and refinement of the current trajectory. We further designed a high-precision, unit-test-level reward mechanism to encourage the Large Language Model (LLM) to perform line-by-line analysis. Extensive experiments on three benchmarks and five LLMs demonstrate the effectiveness of MCTS-Judge, which improves the base model's accuracy from 41% to 80%, surpassing the o1-series models with 3x fewer tokens. Further evaluations validate the superiority of its reasoning trajectory in logic, analytics, thoroughness, and overall quality, while revealing the test-time scaling law of the LLM-as-a-Judge paradigm.
Authors: Tianjin Huang, Zhangyang Wang, Haotian Hu, Zhenyu Zhang, Gaojie Jin, Xiang Li, Li Shen, Jiaxing Shang, Tianlong Chen, Ke Li, Lu Liu, Qingsong Wen, Shiwei Liu
Abstract: Training instability in modern deep learning systems is frequently triggered by rare but extreme gradient-norm spikes, which can induce oversized parameter updates, corrupt optimizer state, and lead to slow recovery or divergence. Widely used safeguards such as gradient clipping mitigate these failures but require threshold tuning and indiscriminately truncate large updates. We propose GradientStabilizer, a lightweight, drop-in gradient transform that preserves the instantaneous gradient direction while replacing the update magnitude with a statistically stabilized estimate derived from running gradient-norm statistics. We prove that the resulting stabilized magnitude is uniformly bounded on spike steps, independent of the spike size, and show how this boundedness controls optimizer state evolution in adaptive methods. Across LLM pre-training (FP16), quantization-aware pre-training (FP4), ImageNet classification, reinforcement learning, and time-series forecasting, GradientStabilizer consistently improves training stability, widens stable learning-rate regions, and reduces divergence relative to clipping-based baselines, even substantially reducing Adam's sensitivity to weight-decay strength. Code will be released soon.
Authors: Hyeonjeong Ha, Qiusi Zhan, Jeonghwan Kim, Dimitrios Bralios, Saikrishna Sanniboina, Nanyun Peng, Kai-Wei Chang, Daniel Kang, Heng Ji
Abstract: Retrieval-augmented generation (RAG) has become a common practice in multimodal large language models (MLLM) to enhance factual grounding and reduce hallucination. Yet, its reliance on retrieval exposes MLLMs to knowledge poisoning attacks, in which adversaries deliberately inject malicious multimodal content into external knowledge bases to steer models toward generating incorrect or even harmful responses. We present MM-PoisonRAG, a framework to systematically study the vulnerability of multimodal RAG under knowledge poisoning. Specifically, we design two novel attack strategies: Localized Poisoning Attack (LPA), which implants targeted, query-specific multimodal misinformation to manipulate outputs toward attacker-controlled responses, and Globalized Poisoning Attack (GPA), which uses a single, untargeted adversarial injection to broadly corrupt reasoning and collapse generation quality across all queries. Extensive experiments on diverse tasks, multimodal RAG components, and attacker access levels reveal severe vulnerabilities: LPA achieves up to 56% attack success rate even under restricted access, and transfers effectively across four different retrievers without re-optimizing the adversaries. GPA completely disrupts model generation to 0% accuracy with just one poisoned content. Moreover, both LPA and GPA bypass existing defenses, underscoring the fragility of multimodal RAG and establishing MM-PoisonRAG as a foundation for future research on securing RAG frameworks against multimodal knowledge poisoning.
Authors: John Bencina, Erkut Aykutlug, Yue Chen, Zerui Zhang, Stephanie Sorenson, Shao Tang, Changshuai Wei
Abstract: Data Driven Attribution, which assigns conversion credits to marketing interactions based on causal patterns learned from data, is the foundation of modern marketing intelligence and vital to any marketing business and advertising platform. In this paper, we introduce a unified transformer-based attribution approach that can handle member-level data, aggregate-level data, and integration of external macro factors. We detail the large scale implementation of the approach at LinkedIn, showcasing significant impact. We also share learnings and insights which are broadly applicable to the marketing and ad tech fields.
Authors: Jun Liu, Zhenglun Kong, Peiyan Dong, Changdi Yang, Tianqi Li, Hao Tang, Geng Yuan, Wei Niu, Wenbin Zhang, Pu Zhao, Xue Lin, Dong Huang, Yanzhi Wang
Abstract: Large language models (LLMs) exhibit strong capabilities as decision-making agents by interleaving reasoning and actions, as seen in ReAct-style frameworks. Yet, their practical deployment is constrained by high inference costs and large model sizes. We propose Structured Agent Distillation, a framework that compresses large LLM-based agents into smaller student models while preserving both reasoning fidelity and action consistency. Unlike standard token-level distillation, our method segments trajectories into [REASON] and [ACT] spans, applying segment-specific losses to align each component with the teacher's behavior. This structure-aware supervision enables compact agents to better replicate the teacher's decision process. Experiments on ALFWorld, HotPotQA-ReAct, and WebShop show that our approach consistently outperforms token-level and imitation learning baselines, achieving significant compression with minimal performance drop. Scaling and ablation results further highlight the importance of span-level alignment for efficient and deployable agents.
Authors: Andreas Patakis, Vassilis Lyberatos, Spyridon Kantarelis, Edmund Dervakos, Giorgos Stamou
Abstract: Music auto-tagging is essential for organizing and discovering music in extensive digital libraries. While foundation models achieve exceptional performance in this domain, their outputs often lack interpretability, limiting trust and usability for researchers and end-users alike. In this work, we present an interpretable framework for music auto-tagging that leverages groups of musically meaningful multimodal features, derived from signal processing, deep learning, ontology engineering, and natural language processing. To enhance interpretability, we cluster features semantically and employ an expectation maximization algorithm, assigning distinct weights to each group based on its contribution to the tagging process. Our method achieves competitive tagging performance while offering a deeper understanding of the decision-making process, paving the way for more transparent and user-centric music tagging systems.
Authors: Hampus Linander, Tage Tykesson, Pietro Rosso, Christoffer Petersson, Daniel Persson, Jan E. Gerken
Abstract: Artificial intelligence is rapidly reshaping the natural sciences, with weather forecasting emerging as a flagship AI4Science application where machine learning models can now rival and even surpass traditional numerical simulations. Following the success of the landmark models Pangu Weather and Graphcast, outperforming traditional numerical methods for global medium-range forecasting, many novel data-driven methods have emerged. A common limitation shared by many of these models is their reliance on an equiangular discretization of the sphere which suffers from a much finer grid at the poles than around the equator. In contrast, in the Hierarchical Equal Area iso-Latitude Pixelization (HEALPix) of the sphere, each pixel covers the same surface area, removing unphysical biases. Motivated by a growing support for this grid in meteorology and climate sciences, we propose to perform weather forecasting with deep learning models which natively operate on the HEALPix grid. To this end, we introduce Pangu Equal ARea (PEAR), a transformer-based weather forecasting model which operates directly on HEALPix-features and outperforms the corresponding model on an equiangular grid, and other baselines, without any computational overhead. Furthermore, we perform numerical experiments on the equivariance properties of our setup and verify the performance of PEAR on climate model emulation.
Authors: Kiet Bennema ten Brinke, Koen Minartz, Vlado Menkovski
Abstract: Simulating trajectories of dynamical systems is a fundamental problem in a wide range of fields such as molecular dynamics, biochemistry, and pedestrian dynamics. Machine learning has become an invaluable tool for scaling physics-based simulators and developing models directly from experimental data. In particular, recent advances in deep generative modeling and geometric deep learning enable probabilistic simulation by learning complex trajectory distributions while respecting intrinsic permutation and time-shift symmetries. However, trajectories of N-body systems are commonly characterized by high sensitivity to perturbations leading to bifurcations, as well as multi-scale temporal and spatial correlations. To address these challenges, we introduce STFlow (Spatio-Temporal Flow), a generative model based on graph neural networks and hierarchical convolutions. By incorporating data-dependent couplings within the Flow Matching framework, STFlow denoises starting from conditioned random-walks instead of Gaussian noise. This novel informed prior simplifies the learning task by reducing transport cost, increasing training and inference efficiency. We validate our approach on N-body systems, molecular dynamics, and human trajectory forecasting. Across these benchmarks, STFlow achieves the lowest prediction errors with fewer simulation steps and improved scalability.
Authors: Xiao Liu, Lijun Zhang, Deepak Ganesan, Hui Guan
Abstract: Multi-device inference can reduce Transformer latency by parallelizing computation. However, existing methods require high inter-device bandwidth, making them impractical for bandwidth-constrained environments. We present ASTRA, a communication-efficient framework that integrates sequence parallelism with mixed-precision attention, where non-local token embeddings are transmitted as low-bit vector-quantized codes while local attention remains full precision. To preserve accuracy under aggressive compression, ASTRA introduces Noise-Augmented Quantization and Distributed Class Tokens. Across vision and language models (e.g., ViT and GPT2), ASTRA achieves up to 2.64$\times$ speedup over single-device inference and up to 15.25$\times$ over prior multi-device baselines while operating at bandwidths as low as 10 Mbps. ASTRA remains robust on large models (e.g., Llama-3-8B) even under non-ideal network conditions such as packet loss and dynamic networks.
Authors: Zhongyuan Liang, Zachary T. Rewolinski, Abhineet Agarwal, Tiffany M. Tang, Bin Yu
Abstract: Tree-based ensembles such as random forests remain the go-to for tabular data over deep learning models due to their prediction performance and computational efficiency. These advantages have led to their widespread deployment in high-stakes domains, where interpretability is essential for ensuring trustworthy predictions. This has motivated the development of popular local feature importance methods such as LIME and TreeSHAP. However, these approaches rely on approximations that ignore the model's internal structure and instead depend on potentially unstable perturbations. These issues are addressed in the global setting by MDI+, a global feature importance method which combines tree-based and linear feature importances by exploiting an equivalence between decision trees and least squares on a transformed node basis. However, the global MDI+ scores are not able to explain predictions when faced with heterogeneous individual characteristics. To address this gap, we propose Local MDI+ (LMDI+), a novel extension of the MDI+ framework that quantifies feature importances for each particular sample. Across twelve real-world benchmark datasets, LMDI+ outperforms existing baselines at identifying instance-specific predictive features, yielding an average 10% improvement in predictive performance when using only the selected features. It further demonstrates greater stability by consistently producing similar instance-level feature importance rankings across repeated model fits with different random seeds. Ablation experiments show that each component of LMDI+ contributes to these gains, and that the improvements extend beyond random forests to gradient boosting models. Finally, we show that LMDI+ enables local interpretability use cases by identifying closely matched counterfactuals for each classification benchmark and discovering homogeneous subgroups in a housing dataset case study.
Authors: Mohammad Taufeeque, Aaron David Tucker, Adam Gleave, Adri\`a Garriga-Alonso
Abstract: We partially reverse-engineer a convolutional recurrent neural network (RNN) trained with model-free reinforcement learning to play the box-pushing game Sokoban. We find that the RNN stores future moves (plans) as activations in particular channels of the hidden state, which we call path channels. A high activation in a particular location means that, when a box is in that location, it will get pushed in the channel's assigned direction. We examine the convolutional kernels between path channels and find that they encode the change in position resulting from each possible action, thus representing part of a learned transition model. The RNN constructs plans by starting at the boxes and goals. These kernels extend activations in path channels forwards from boxes and backwards from the goal. Negative values are placed in channels at obstacles. This causes the extension kernels to propagate the negative value in reverse, thus pruning the last few steps and letting an alternative plan emerge; a form of backtracking. Our work shows that, a precise understanding of the plan representation allows us to directly understand the bidirectional planning-like algorithm learned by model-free training in more familiar terms.
Authors: Tomas Geffner, Kieran Didi, Zhonglin Cao, Danny Reidenbach, Zuobai Zhang, Christian Dallago, Emine Kucukbenli, Karsten Kreis, Arash Vahdat
Abstract: Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointly with the underlying amino acid sequence. This is challenging, for instance, because the model must reason over side chains that change in length during generation. We introduce La-Proteina for atomistic protein design based on a novel partially latent protein representation: coarse backbone structure is modeled explicitly, while sequence and atomistic details are captured via per-residue latent variables of fixed dimensionality, thereby effectively side-stepping challenges of explicit side-chain representations. Flow matching in this partially latent space then models the joint distribution over sequences and full-atom structures. La-Proteina achieves state-of-the-art performance on multiple generation benchmarks, including all-atom co-designability, diversity, and structural validity, as confirmed through detailed structural analyses and evaluations. Notably, La-Proteina also surpasses previous models in atomistic motif scaffolding performance, unlocking critical atomistic structure-conditioned protein design tasks. Moreover, La-Proteina is able to generate co-designable proteins of up to 800 residues, a regime where most baselines collapse and fail to produce valid samples, demonstrating La-Proteina's scalability and robustness.
Authors: Joshua Dimasaka, Christian Gei{\ss}, Emily So
Abstract: To understand our global progress for sustainable development and disaster risk reduction in many developing economies, two recent major initiatives - the Uniform African Exposure Dataset of the Global Earthquake Model (GEM) Foundation and the Modelling Exposure through Earth Observation Routines (METEOR) Project - implemented classical spatial disaggregation techniques to generate large-scale mapping of urban morphology using the information from various satellite imagery and its derivatives, geospatial datasets of the built environment, and subnational census statistics. However, the local discrepancy with well-validated census statistics and the propagated model uncertainties remain a challenge in such coarse-to-fine-grained mapping problems, specifically constrained by weak and conditional label supervision. Therefore, we present Deep Conditional Census-Constrained Clustering (DeepC4), a novel deep learning-based spatial disaggregation approach that incorporates local census statistics as cluster-level constraints while considering multiple conditional label relationships in a joint multitask learning of the patterns of satellite imagery. As a demonstration using Rwandan urban morphology, DeepC4 achieves macro-F1 scores of 0.63, 0.78, and 0.45 and macro-mIoU of 0.57, 0.71, and 0.42 for roof, wall, and height prediction respectively, estimates national dwelling and occupant counts within 1.13% and 1.11% error compared to census records, outperforming GEM (2.03% and 3.29%), and occupies 32%-49% more 500-meter grid pixels than METEOR across provinces. As the world approaches the conclusion of many global frameworks in 2030, our work offers a new deep learning-based mapping technique that explicitly encodes well-validated census and experts' belief systems to achieve an explainable and interpretable auditing of existing coarse-grained derived information at large scales.
Authors: Ye Su, Hezhe Qiao, Wei Huang, Lin Chen
Abstract: Semi-supervised regression (SSR), which aims to predict continuous scores for samples while reducing the reliance on large-scale labeled data, has recently attracted considerable attention across various applications, including computer vision, natural language processing, audio analysis, and medical analysis. Existing SSR methods typically train models with scarce labeled data by introducing constraint-based regularization or ordinal ranking to mitigate overfitting. However, these approaches often fail to fully exploit the abundance of unlabeled samples. Although consistency-driven pseudo-labeling methods attempt to incorporate unlabeled data, their performance is highly sensitive to pseudo-label quality and noisy predictions. To address these challenges, we propose a Dual-stream Knowledge Distillation framework (DKD), which is specifically designed for SSR to distill both continuous-valued knowledge and distributional information. This design better preserves regression magnitude information and improves sample efficiency. Specifically, in DKD, the teacher is optimized solely with ground-truth labels for label distribution estimation, while the student learns from a mixture of real labels and teacher-generated pseudo targets on unlabeled data. The distillation process enables effective supervision transfer, allowing the student to leverage pseudo labels more robustly. Furthermore, we introduce a Decoupled Distribution Alignment (DDA) module, which separately aligns the target and non-target distributions between the teacher and student. To improve the reliability of non-target knowledge transfer, DDA incorporates a variance-guided non-target distribution alignment strategy that adaptively downweights uncertain teacher predictions, thereby enhancing the student's ability to mitigate noise in pseudo-label supervision and learn a better-calibrated regression predictor.
Authors: Piotr Kubaty, Filip Szatkowski, Grzegorz Choczy\'nski, Eric Nalisnick, Bartosz W\'ojcik
Abstract: Early-exit neural networks (EENNs) accelerate inference by allowing intermediate classifiers to stop computation once predictions are confident enough. Most methods rely on confidence thresholds for exiting, and consequently, improving classifier calibration is widely assumed to improve performance. In this work, we challenge this assumption and show that calibration alone is not sufficient for EENNs to exploit adaptive computation. To address this insufficiency, we introduce Early-Exit Failure Prediction (EEFP), which accounts for both prediction correctness and the cost of further computation. We also propose a lightweight, EEFP-motivated procedure to improve the intermediate classifiers, which can directly replace calibration in EENNs. Extensive experiments demonstrate that our approach achieves superior cost-accuracy trade-offs compared to calibration, and EEFP more reliably reflects overall EENN performance. Our code is available at https://github.com/gmum/rethinking-calibration-for-eenns.
URLs: https://github.com/gmum/rethinking-calibration-for-eenns.
Authors: Wanjin Feng, Yuan Yuan, Jingtao Ding, Yong Li
Abstract: In the era of increasingly complex AI models for time series forecasting, progress is often measured by marginal improvements on benchmark leaderboards. However, this approach suffers from a fundamental flaw: standard evaluation metrics conflate a model's performance with the data's intrinsic unpredictability. To address this pressing challenge, we introduce a novel, predictability-aligned diagnostic framework grounded in spectral coherence. Our framework makes two primary contributions: the Spectral Coherence Predictability (SCP), a computationally efficient ($O(N\log N)$) and task-aligned score that quantifies the inherent difficulty of a given forecasting instance, and the Linear Utilization Ratio (LUR), a frequency-resolved diagnostic tool that precisely measures how effectively a model exploits the linearly predictable information within the data. We validate our framework's effectiveness and leverage it to reveal two core insights. First, we provide the first systematic evidence of "predictability drift", demonstrating that a task's forecasting difficulty varies sharply over time. Second, our evaluation reveals a key architectural trade-off: complex models are superior for low-predictability data, whereas linear models are highly effective on more predictable tasks. We advocate for a paradigm shift, moving beyond simplistic aggregate scores toward a more insightful, predictability-aware evaluation that fosters fairer model comparisons and a deeper understanding of model behavior.
Authors: Amir Moeini, Minjae Kwon, Alper Kamil Bozkurt, Yuichi Motai, Rohan Chandra, Lu Feng, Shangtong Zhang
Abstract: In-context reinforcement learning (ICRL) is an emerging RL paradigm where an agent, after pretraining, can adapt to out-of-distribution test tasks without any parameter updates, instead relying on an expanding context of interaction history. While ICRL has shown impressive generalization, safety during this adaptation process remains unexplored, limiting its applicability in real-world deployments where test-time behavior is expected to be safe. In this work, we propose SCARED: Safe Contextual Adaptive Reinforcement via Exact-penalty Dual, the first method that promotes safe adaptation of ICRL under the constrained Markov decision process framework. During the parameter-update-free adaptation process, our agent not only maximizes the reward but also keeps the accumulated cost within a user-specified safety budget. We also demonstrate that the agent actively reacts to the safety budget; with a higher safety budget, the agent behaves more aggressively, and with a lower safety budget the agent behaves more conservatively. Across challenging benchmarks, SCARED consistently enables safe and robust in-context adaptation, outperforming existing ICRL and safe meta-RL baselines.
Authors: Xinyu Liu, Zixuan Xie, Shangtong Zhang
Abstract: The Robbins-Siegmund theorem establishes the convergence of stochastic processes that are almost supermartingales and is one of the most commonly used approaches for analyzing stochastic iterative algorithms in stochastic approximation and reinforcement learning (RL). However, its original form has a significant limitation as it requires the zero-order term to be summable. In many important RL applications, this summable condition, however, cannot be met. This limitation motivates us to extend the Robbins-Siegmund theorem for almost supermartingales where the zero-order term is not summable, but only square-summable. In particular, we introduce a novel and mild assumption on the increments of the stochastic processes. This together with the square-summable condition enables an almost sure convergence to a bounded set. Additionally, we further provide almost sure convergence rates, high probability concentration bounds, and $L^p$ convergence rates. We then apply the new results to stochastic approximation and RL. Notably, we obtain the first almost sure convergence rate, the first high probability concentration bound, and the first $L^p$ convergence rate for $Q$-learning with linear function approximation.
Authors: Stefano Bruno, Youngsik Hwang, Jaehyeon An, Sotirios Sabanis, Dong-Young Lim
Abstract: Flatness of the loss landscape has been widely studied as an important perspective for understanding the behavior and generalization of deep learning algorithms. Motivated by this view, we propose Flatness-Aware Stochastic Gradient Langevin Dynamics (fSGLD), a first-order optimization method that biases learning its dynamics toward flat basins while retaining the computational and memory efficiency of SGD and SGLD. We provide a non-asymptotic theoretical analysis showing that fSGLD targets a flatness-biased Gibbs distribution under a theoretically prescribed coupling between the noise scale $\sigma$ and the inverse temperature $\beta$, together with explicit excess risk guarantees. We empirically evaluate fSGLD across standard optimizer benchmarks, Bayesian image classification, uncertainty quantification, and out-of-distribution detection, demonstrating consistently strong performance and reliable uncertainty estimates. Additional experiments confirm the effectiveness of the theoretically prescribed $\beta$-$\sigma$ coupling compared to decoupled choices.
Authors: Yanlin Qu, Hongseok Namkoong, Assaf Zeevi
Abstract: Thompson Sampling is one of the most widely used and studied bandit algorithms, known for its simple structure, low regret performance, and solid theoretical guarantees. Yet, in stark contrast to most other families of bandit algorithms, the exact mechanism through which posterior sampling (as introduced by Thompson) is able to "properly" balance exploration and exploitation, remains a mystery. In this paper, we show that the core insight to address this question stems from recasting Thompson Sampling as an online optimization algorithm. To distill this, we introduce a suitable time invariant notion of regret that leads to a stationarized bandit problem, and a stationary Bellman-optimal policy. We then show that Thompson Sampling admits an online optimization form that mimics the structure of the aforementioned Bellman-optimal policy, where "greediness" is regularized by a measure of residual uncertainty. This new lens of online optimization allows both a better understanding of Thompson Sampling dynamics, as well as a principled manner for policy improvement that mimics the Bellman-optimal benchmark.
Authors: Daniel Scalena, Leonidas Zotos, Elisabetta Fersini, Malvina Nissim, Ahmet \"Ust\"un
Abstract: With the rise of reasoning language models and test-time scaling methods as a paradigm for improving model performance, substantial computation is often required to generate multiple candidate sequences from the same prompt. This enables exploration of different reasoning paths toward the correct solution, however, allocates the same compute budget for each prompt. Grounded on the assumption that different prompts carry different degrees of complexity, and thus different computation needs, we propose EAGer, a training-free generation method that leverages model uncertainty through token-wise entropy distribution to reduce redundant computation and concurrently improve overall performance. EAGer allows branching to multiple reasoning paths only in the presence of high-entropy tokens, and reallocates the saved compute budget to instances where exploration of alternative paths is most needed. We validate EAGer across multiple open-source models on complex reasoning benchmarks, with gains specifically demonstrated on AIME 2025. When target labels are accessible -- as in RLVR training pipelines -- EAGer achieves up to +37% in Pass@k and 59% fewer tokens; in test-time settings it still yields +12% in Pass@k and 64% fewer tokens compared to Full Parallel Sampling.
Authors: Jegwang Ryu, Minkyu Kim, Seungjun Shin, Hee Min Choi, Dokwan Oh, Jaeho Lee
Abstract: Efficient compression of language model weights is increasingly critical as model scale and deployment grow. Yet, most existing methods rely on handcrafted transforms and heuristics, reflecting the limited understanding of weights as a data modality. To move beyond this paradigm, we formulate weight compression as neural codec learning and propose Neural Weight Compression (NWC), a framework for training neural codecs on pretrained weight datasets. NWC addresses challenges intrinsic to weight compression, including tensor heterogeneity and the mismatch between reconstruction losses and downstream performance. Experiments show that NWC achieves highly competitive accuracy-compression tradeoffs, with particularly strong results in the 4-6 bit regime, without relying on rigid handcrafted components such as the Hadamard transform. These gains extend to across diverse architectures, e.g., vision encoders. Our analysis highlights the roles of entropy-constrained quantization and learned transforms in adapting compression to weight data and downstream tasks.
Authors: Saumya B
Abstract: Accurate brain tumor segmentation from MRI is vital for diagnosis and treatment planning. Although Monte Carlo (MC) Dropout is widely used to estimate model uncertainty, the effectiveness of variance-based uncertainty - computed as pixel-wise variance across stochastic forward passes - in identifying segmentation errors, particularly near tumor boundaries, remains insufficiently studied. This study empirically examines the relationship between variance-based MC Dropout uncertainty and segmentation error in 2D brain tumor MRI segmentation using a U-Net trained under four augmentation settings: none, horizontal flip, rotation, and scaling. Uncertainty was estimated as the pixel-wise variance across 50 stochastic forward passes and correlated with pixel-wise errors using Pearson and Spearman coefficients. Results show weak global correlations (r ~ 0.30-0.38) and negligible boundary correlations (|r| < 0.05). Although differences across augmentations were statistically significant (p < 0.001), they lacked practical relevance. These findings suggest that variance-based MC Dropout uncertainty provides limited cues for global and boundary error localization, and that the choice of uncertainty representation critically affects the utility of MC Dropout in medical image segmentation. Alternative representations such as predictive entropy or mutual information may better capture segmentation errors, particularly at boundaries.
Authors: Yeshwanth Cherapanamjeri, Constantinos Daskalakis, Gabriele Farina, Sobhan Mohammadpour
Abstract: Random Utility Models (RUMs) are a classical framework for modeling user preferences and play a key role in reward modeling for Reinforcement Learning from Human Feedback (RLHF). However, a crucial shortcoming of many of these techniques is the Independence of Irrelevant Alternatives (IIA) assumption, which collapses \emph{all} human preferences to a universal underlying utility function, yielding a coarse approximation of the range of human preferences. On the other hand, statistical and computational guarantees for models avoiding this assumption are scarce. In this paper, we investigate the statistical and computational challenges of learning a \emph{correlated} probit model, a fundamental RUM that avoids the IIA assumption. First, we establish that the classical data collection paradigm of pairwise preference data is \emph{fundamentally insufficient} to learn correlational information, explaining the lack of statistical and computational guarantees in this setting. Next, we demonstrate that \emph{best-of-three} preference data provably overcomes these shortcomings, and devise a statistically and computationally efficient estimator with near-optimal performance. These results highlight the benefits of higher-order preference data in learning correlated utilities, allowing for more fine-grained modeling of human preferences. Finally, we validate these theoretical guarantees on several real-world datasets, demonstrating improved personalization of human preferences.
Authors: Mustafa Fuad Rifet Ibrahim, Tunc Alkanat, Felix Manthey, Maurice Meijer, Alexander Schlaefer, Peer Stelldinger
Abstract: The vast majority of cardiovascular diseases may be preventable if early signs and risk factors are detected. Cardiovascular monitoring with body-worn sensor devices like sensor patches allows for the detection of such signs while preserving the freedom and comfort of patients. However, the analysis of the sensor data must be robust, reliable, efficient, and highly accurate. Deep learning methods can automate data interpretation, reducing the workload of clinicians. In this work, we analyze the feasibility of applying deep learning models to the classification of synchronized electrocardiogram (ECG) and phonocardiogram (PCG) recordings on resource-constrained medical edge devices. We propose a convolutional neural network with early fusion of data to solve a binary classification problem. The model is trained and validated on the synchronized ECG and PCG recordings from the Physionet Challenge 2016 dataset. Our approach reduces memory footprint and compute cost by approximately three orders of magnitude compared with the state-of-the-art while maintaining competitive accuracy. We further demonstrate the applicability of the proposed model on medical edge devices by measuring its energy consumption on a microcontroller equipped with a neural processing unit (NPU) and benchmarking the energy of Bluetooth Low Energy (BLE) communication on a representative BLE evaluation kit across a range of payload sizes. The comparison confirms that on-device inference can be more energy efficient than continuous data streaming.
Authors: Chieh-Hsin Lai, Yang Song, Dongjun Kim, Yuki Mitsufuji, Stefano Ermon
Abstract: This book presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the book discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.
Authors: Pierangelo Lombardo, Antonio Casoli, Cristian Cingolani, Shola Oshodi, Michele Zanatta
Abstract: Selecting an appropriate evaluation metric for classifiers is crucial for model comparison, parameter optimization, and deployment decisions, yet there is no consensus on a broadly accepted evaluation paradigm explicitly aligned with Total Classification Cost (TCC) minimization. At the same time, class imbalance is often treated as a problem to be corrected \emph{per se}, potentially causing misalignments with TCC minimization. To address these limitations, (\emph{i}) we define Weighted Accuracy (WA), an evaluation metric for binary classifiers with a straightforward interpretation as a weighted version of accuracy and (\emph{ii}) we propose a general reweighting framework for handling class imbalance in cost-sensitive scenarios, providing an alternative to resampling techniques. This framework applies to any evaluation metric or loss function that can be expressed as a linear combination of example-dependent quantities; it enables meaningful comparison of evaluation results obtained on different datasets and accounts for discrepancies between the \emph{development} dataset, used for training, validation, and testing, and the \emph{target} dataset, where the model will be deployed. Within this framework, we derive the conditions under which standard rebalancing techniques remain coherent with TCC minimization, and when they may instead become misleading. We prove that, under example-independent Unit Classification Costs, maximizing WA is equivalent to minimizing TCC. Finally, we analyze the robustness of WA in realistic example-dependent cost scenarios by studying its correlation with TCC across a broad range of class imbalance and cost regimes. The results show that WA maintains robust alignment with TCC across almost all examined scenarios.
Authors: Jiachen Zhao, Yiyou Sun, Weiyan Shi, Dawn Song
Abstract: Large language models can generate long chain-of-thought (CoT) reasoning, yet prior work suggests that CoT can be post-hoc rationalization rather than a faithful reflection of the computation through explicitly designed settings. In this work, we go further and propose a True Thinking Score (TTS) to quantify the causal contribution of each step in CoT to the model's final prediction in realistic reasoning problems. Across eleven models ranging from 1.5B to 1.1T parameters on common reasoning benchmarks, we find that CoTs often interleave true-thinking steps, which causally affect the final answer, with decorative-thinking steps, which appear useful but have little causal influence; Such decorative steps remain prevalent even for frontier models: Over 30% of steps in Kimi-K2.6 are decorative on MATH with TTS <= 0.005. Furthermore, TTS enables effective CoT pruning: removing 50% of CoT steps with the lowest TTS can largely maintain the performance. Self-training on these pruned CoTs reduces reasoning length by 66% while preserving performance on Nemotron3-Nano-30B. Finally, we provide a mechanistic analysis showing that LLMs can be steered in the latent space to engage or disengage with reasoning steps. Overall, our results reveal that frontier LLMs often verbalize reasoning steps that are not causally used, challenging both the efficiency and the trustworthiness of CoT.
Authors: Gennaro Guidone, Luca Monegaglia, Elia Raimondi, Han Wang, Mattia Bianchi, Florian D\"orfler
Abstract: We present a novel decentralized algorithm for coverage control in unknown spatial environments modeled by Gaussian Processes (GPs). To trade-off between exploration and exploitation, each agent autonomously determines its trajectory by minimizing a local cost function. Inspired by the GP-UCB (Upper Confidence Bound for GPs) acquisition function, the proposed cost combines the expected locational cost with a variance-based exploration term, guiding agents toward regions that are both high in predicted density and model uncertainty. Compared to previous work, our algorithm operates in a fully decentralized fashion, relying only on local observations and communication with neighboring agents. In particular, agents periodically update their inducing points using a greedy selection strategy, enabling scalable online GP updates. We demonstrate the effectiveness of our algorithm in simulation.
Authors: Ankush Kadu, Aswanth Krishnan
Abstract: We present ReflexGrad, a dual-process architecture for within-episode failure recovery in LLM agents without demonstrations. When agents commit to a wrong approach early and exhaust the step budget, the post-failure trajectory contains the information to escape -- but no published architecture acts on it within a single episode. ReflexGrad routes between a fast process (TextGrad-style continuous refinement every $k{=}3$ steps) and a slow process (Reflexion-style causal diagnosis when $m{=}5$ consecutive low-progress scores fire a routing gate). A deterministic priority merge keeps the natural-language policy coherent, and each slow activation emits three observable artifacts: a reproducible trigger, a causal diagnostic, and a verified fix. On ALFWorld 134 tasks, $n{=}10$ seeds, no demonstrations, ReflexGrad lifts Qwen-3-8B from $35.1\%$ to $75.4\%$ ($+40.3$pp), beating compute-matched 1-shot LATS by $+2.7$pp ($p{\approx}0.01$), ToT by $+5.7$pp ($p{<}10^{-4}$), and Self-Refine by $+6.7$pp ($p{<}10^{-5}$); on GPT-5 the lift is $46.3{\to}88.1\%$ ($+41.8$pp). The $1.5$pp cross-model difference is within seed noise ($p{\approx}0.13$), suggesting that the routing mechanism, rather than model scale, is the primary source of the gain. Code, prompts, per-seed logs, and sensitivity sweeps are released.
Authors: Sebastian Sanokowski, Kaustubh Patil
Abstract: Diffusion models excel at sampling from complex, unnormalized distributions. In this work, we extend Maximum Entropy Reinforcement Learning (ME-RL) to diffusion processes, enabling sampling from the optimal policy trajectory distribution. By minimizing a tractable upper bound on the reverse KL divergence between the diffusion policy and the optimal policy trajectory distributions, we derive a modified surrogate objective and introduce Diffusion-Augmented Markov Decision Processes (DA-MDPs). DA-MDPs allow for seamless integration of diffusion policies into any ME-RL method with minimal modifications. We demonstrate its effectiveness by adapting Proximal Policy Optimization (PPO), Wasserstein Policy Optimization (WPO), and Relative Entropy Pathwise Policy Optimization (REPPO) into their diffusion-based variants: DA-MDP: PPO, DA-MDP: WPO, and DA-MDP: REPPO. Empirical results on standard continuous-control benchmarks show that our approach matches or outperforms baseline methods, while experiments on multimodal benchmarks confirm its ability to model multimodal action distributions.
Authors: Zhaolan Huang, Emmanuel Baccelli
Abstract: Examples of embedded intelligence include a wide variety of tiny neural networks used on-board wireless sensors and actuators, which are expected to continuously perform inference on time-series of the data they sense. In order to fit lifetime and energy consumption requirements when operating on battery, such hardware is exclusively based on microcontroller with as little memory as possible, e.g., 128 kB of RAM. In this context, optimizing data flows during inference across neural network layers becomes crucial. In this paper, we introduce a new framework, TinyD\'ej\`aVu, and novel algorithms we designed to drastically reduce the RAM budget required by inference using various neural network models for sensor data time-series on typical microcontroller hardware. We publish the implementation of TinyD\'ej\`aVu as open source, and we perform reproducible benchmarks on common microcontroller hardware (Arm Cortex-M). We show that TinyD\'ej\`aVu can save up to 90\% of RAM usage with equal compute latency compared to prior work (StreamiNNC) on overlapping sliding window inputs.
Authors: Zhaolan Huang, Kaspar Schleiser, Gyungmin Myung, Emmanuel Baccelli
Abstract: Low-power microcontroller (MCU) hardware is currently evolving from single-core architectures to predominantly multi-core architectures. In parallel, new embedded software building blocks are more and more written in Rust, while C/C++ dominance fades in this domain. On the other hand, small artificial neural networks (ANN) of various kinds are increasingly deployed in edge AI use cases, thus deployed and executed directly on low-power MCUs. In this context, both incremental improvements and novel innovative services will have to be continuously retrofitted using ANNs execution in software embedded on sensing/actuating systems already deployed in the field. However, there was so far no Rust embedded software platform automating parallelization for inference computation on multi-core MCUs executing arbitrary TinyML models. This paper thus fills this gap by introducing Ariel-ML, a novel toolkit we designed combining a generic TinyML pipeline and an embedded Rust software platform which can take full advantage of multi-core capabilities of various 32bit microcontroller families (Arm Cortex-M, RISC-V, ESP-32). We published the full open source code of its implementation, which we used to benchmark its capabilities using a zoo of various TinyML models. We show that Ariel-ML outperforms prior art in terms of inference latency as expected, and we show that, compared to pre-existing toolkits using embedded C/C++, Ariel-ML achieves comparable memory footprints. Ariel-ML thus provides a useful basis for TinyML practitioners and resource-constrained embedded Rust developers.
Authors: Tung-Ling Li, Yuhao Wu, Hongliang Liu
Abstract: LLM-as-a-Judge systems supply the reward signal in modern RLHF and RLVR pipelines, but their binary verdict reduces to a single linear readout F_gap on one hidden state. We show this readout is shallow enough that short, low-perplexity tokens flip the verdict from "No" to "Yes". These tokens are sampled from the judge's own next-token distribution at the response position, with no manual seed set and no gradient-based optimization. Our procedure, AdvJudge-Zero, reaches $>$90% ensemble false-positive rate on 22 of 24 (model, dataset) cells across six Qwen, Llama, and Gemma judges, versus 54-72% for the prior curated 10-token benchmark, and the discovered surface transfers cross-format to a 70B scalar reward model. The same discovered pool enables a defense: a LoRA fine-tune stratified by a 9-class mechanism taxonomy hardens cross-family generalization where naive sampling on the same pool fails, with mechanism breadth rather than pool size carrying the gain. Under GRPO training, the hardened judge eliminates the reward-collapse failures (false-positive spikes and length collapse) we observe in the unhardened baseline on both MATH and GSM8K at ten seeds per condition. The discovered pool, the mechanism taxonomy, and per-prompt flip records will be released under responsible disclosure.
Authors: Zihan Yao, Ruoyu Wu, Tianxiang Gao
Abstract: Deep neural networks have achieved remarkable success in practice, yet a mechanistic understanding of how features evolve during training remains incomplete, especially in the large-depth limit. For ResNets under depth-$\mu$P scaling, prior work treats the layer index $\ell$ as a continuous time $t_\ell = \ell/L$, yielding SDE descriptions of the training dynamics. A key unresolved issue is that backpropagation reuses each forward weight matrix $W_\ell$ through its transpose $W_\ell^\top$, creating correlations between forward features and backward gradients whose behavior and role in feature learning remain unclear. We study this reused-weight forward--backward coupling in one-layer ResNets under depth-$\mu$P. Using conditional Gaussian representations, we explicitly separate the coupling terms induced by weight reuse from decoupled Gaussian fluctuations before taking any network limit. At initialization, we prove that the coupling is a finite-width effect and vanishes at rate $O(n^{-1})$, uniformly over depth. During training, however, SGD induces a nontrivial forward--backward correlation term that survives the infinite-width limit. The key depth effect is that, under depth-$\mu$P scaling, this surviving term is higher order in depth and its accumulated contribution over layers becomes negligible as $L\to\infty$. This depth-induced suppression motivates Neural Feature Dynamics (NFD), a forward--backward SDE system with decoupled backward weights that retains the feature-gradient covariance structure generated during training. Under nondegeneracy assumptions, we prove that the finite-network training dynamics converge to its NFD limit with an $O(L^{-1})$ depth-discretization error, while the reused-weight coupling term has a faster $O(L^{-2})$ decay. These results provide a rigorous infinite-depth limit for the feature-learning dynamics of one-layer ResNets under depth-$\mu$P.
Authors: Kasra Jalaldoust, Elias Bareinboim
Abstract: Generalization across domains requires stable structure that links the source and target distributions. Building on causal transportability theory, we study a sequential prediction setting in which the target predictor can be represented as a circuit composed of causal mechanisms that are learnable from source data. We introduce two classes of transportability. Module transportability captures the atomic case, where the target predictor is given by a mechanism learnable from a single source domain. Circuit transportability generalizes this idea to target predictors obtained by composing several modules learned from source data, enabling zero-shot prediction even when no source mechanism directly predicts the target label. We study these classes of circuits under increasingly relaxed assumptions. First, we provide conditions under which the relevant circuits can be learned from source data alone, given causal knowledge about the source and target domains. We then relax these structural assumptions by allowing limited data from the target domain. In particular, we develop a supervised domain adaptation scheme that learns circuits without requiring explicit causal structure. The resulting few-shot guarantees tie the achievable error to the size of the smallest target circuit composable from modules learned from source data. Finally, we propose a gradient-based relaxation of the symbolic circuit search and evaluate it empirically, showing that it qualitatively tracks the predicted regimes of fast adaptation -- with and without process supervision over intermediate positions -- and slow adaptation when no source mechanism matches.
Authors: Md Istiauk Hossain Rifat, Moin Khan, Zohara Kamal, Md Borhan Uddin Khan, Mohammad Zunaed
Abstract: The textile industry in Bangladesh is one of the most energy-intensive sectors, yet its monitoring practices remain largely outdated, resulting in inefficient power usage and high operational costs. To address this, we propose a real-time Non-Intrusive Load Monitoring (NILM)-based framework tailored for industrial applications, with a focus on identical motor-driven loads representing textile cutting machines. A hardware setup comprising voltage and current sensors, Arduino Mega and ESP8266 was developed to capture aggregate and individual load data, which was stored and processed on cloud platforms. A new dataset was created from three identical induction motors and auxiliary loads, totaling over 180,000 samples, to evaluate the state-of-the-art MATNILM model under challenging industrial conditions. Results indicate that while aggregate energy estimation was reasonably accurate, per-appliance disaggregation faced difficulties, particularly when multiple identical machines operated simultaneously. Despite these challenges, the integrated system demonstrated practical real-time monitoring with remote accessibility through the Blynk application. This work highlights both the potential and limitations of NILM in industrial contexts, offering insights into future improvements such as higher-frequency data collection, larger-scale datasets and advanced deep learning approaches for handling identical loads.
Authors: Jannis Becktepe, Aleksandra Franz, Nils Thuerey, Sebastian Peitz
Abstract: Reinforcement learning (RL) has shown promising results in active flow control (AFC), yet progress in the field remains difficult to assess as existing studies rely on heterogeneous observation and actuation schemes, numerical setups, and evaluation protocols. Current AFC benchmarks attempt to address these issues but heavily rely on external computational fluid dynamics (CFD) solvers, are not fully differentiable, and provide limited 3D and multi-agent support. To overcome these limitations, we introduce FluidGym, the first standalone, fully differentiable benchmark suite for RL in AFC. Built entirely in PyTorch on top of the GPU-accelerated PICT solver, FluidGym runs in a single Python stack, requires no external CFD software, and provides standardized evaluation protocols. We present baseline results with PPO, SAC, DPC, and TD-MPC, and release all environments, datasets, and trained models as public resources. FluidGym enables systematic comparison of control methods, establishes a scalable foundation for future research in learning-based flow control, and is available at github.com/safe-autonomous-systems/fluidgym.
Authors: Jiayu Xu, Junbiao Pang
Abstract: Learning from Noisy Labels (LNL) remains a fundamental challenge in deep learning because real-world datasets often contain corrupted annotations. Most existing methods rely on label correction or sample selection mechanisms. In contrast, we study LNL from an optimization perspective by establishing a theoretical connection between label noise and the flatness-seeking behavior of Sharpness-Aware Minimization (SAM). Based on this analysis, we propose Noise-Compensated Sharpness-Aware Minimization (NCSAM), which uses a noise-compensated perturbation to counteract the optimization bias induced by noisy labels. By correcting distorted SAM perturbations, NCSAM mitigates the memorization of noisy labels during training while preserving the simplicity of optimization-based learning. Experiments on synthetic and real-world noisy-label benchmarks show that NCSAM consistently improves over SAM-based optimization baselines and remains competitive with representative noisy-label learning methods.
Authors: Shuai Liu, Alireza Bakhtiari, Alex Ayoub, Botao Hao, Csaba Szepesv\'ari
Abstract: We study stochastic logistic bandits with $d$-dimensional action features under the simple-regret objective, where a learner uses $T$ rounds of exploration to output a single final action. The logistic structure is essential here: because the informativeness of an action depends on the local curvature of the sigmoid, actions that are best for immediate reward need not be the most useful for identifying the best final recommendation. We show that the first-order minimax difficulty is governed by $\kappa_*$, the inverse slope of the sigmoid at the optimal action. The lower bound is realized by a shifted saturated hard family in which saturation simultaneously limits the information available about the final decision and controls the value loss from a wrong recommendation. This reveals a hard mechanism distinct from cumulative-regret constructions, even though online-to-batch reductions recover the same leading order in expectation. We then develop two curvature-aware algorithms: \MULog, a pure-exploration method whose final recommendation satisfies a high-probability upper bound of order $\tilde O(d/\sqrt{\kappa_* T})$, matching the lower bound up to logarithmic factors, and \THATS, a Thompson-sampling-style method that provides a computationally lighter alternative. Experiments on both hard and easy geometries support the same picture: informative low-reward actions can make instances substantially easier, and the curvature-aware methods exploit this structure especially effectively.
Authors: Chuan-Shen Hu
Abstract: Combinatorial and topological structures, such as graphs, simplicial complexes, and cell complexes, form the foundation of geometric and topological deep learning (GDL and TDL) architectures. These models aggregate signals over such domains, integrate local features, and generate representations for diverse real-world applications. However, the distribution and diffusion behavior of GDL and TDL features during training remains an open and underexplored problem. Motivated by this gap, we introduce a cellular sheaf theoretic framework for modeling and analyzing the local consistency and harmonicity of node features and edge weights in graph-based architectures. By tracking local feature alignments and agreements through sheaf structures, the framework offers a topological perspective on feature diffusion and aggregation. Furthermore, a multiscale extension inspired by topological data analysis (TDA) is proposed to capture hierarchical feature interactions in graph models. This approach enables a joint characterization of GDL and TDL architectures based on their underlying geometric and topological structures and the learned signals defined on them, providing insights for future studies on conventional tasks such as node classification, substructure detection, and community detection.
Authors: Huaming Du, Yijie Huang, Su Yao, Yiying Wang, Yueyang Zhou, Jingwen Yang, Jinshi Zhang, Han Ji, Yu Zhao, Guisong Liu, Hegui Zhang, Carl Yang, Gang Kou
Abstract: The increasing scale of graph datasets has significantly improved the performance of graph representation learning methods, but it has also introduced substantial training challenges. Graph dataset condensation techniques have emerged to compress large datasets into smaller yet information-rich datasets, while maintaining similar test performance. However, these methods strictly require downstream applications to match the original dataset and task, which often fails in cross-task and cross-domain scenarios. To address these challenges, we propose a novel causal-invariance-based and transferable graph dataset condensation method, named TGCC, providing effective and transferable condensed datasets. Specifically, to preserve domain-invariant knowledge, we first extract domain causal-invariant features from the spatial domain of the graph using causal interventions. Then, to fully capture the structural and feature information of the original graph, we perform enhanced condensation operations. Finally, through spectral-domain enhanced contrastive learning, we inject the causal-invariant features into the condensed graph, ensuring that the compressed graph retains the causal information of the original graph. Experimental results on five public datasets and our novel FinReport dataset demonstrate that TGCC achieves up to a 13.41% improvement in cross-task and cross-domain complex scenarios compared to existing methods, and achieves state-of-the-art performance on 5 out of 6 datasets in the single dataset and task scenario.
Authors: Andrew Millard, Fredrik Lindsten, Zheng Zhao
Abstract: We introduce a guided stochastic sampling method that augments sampling from diffusion models with physics-based guidance derived from partial differential equation (PDE) residuals and observational constraints, ensuring generated samples remain physically admissible. We embed this sampling procedure within a new Sequential Monte Carlo (SMC) framework, yielding a scalable generative PDE solver. Across multiple benchmark PDE systems as well as multiphysics and interacting PDE systems, our method produces solution fields with lower numerical error than existing state-of-the-art generative methods.
Authors: Wenhao Yu, Shaohang Wei, Jiahong Liu, Yifan Li, Minda Hu, Aiwei Liu, Hao Zhang, Irwin King
Abstract: Token-level reweighting is a simple yet effective mechanism for controlling supervised fine-tuning, but common indicators are largely one-dimensional: the ground-truth probability reflects downstream alignment, while token entropy reflects intrinsic uncertainty induced by the pre-training prior. Ignoring entropy can misidentify noisy or easily replaceable tokens as learning-critical, while ignoring probability fails to reflect target-specific alignment. RankTuner introduces a probability--entropy calibration signal, the Relative Rank Indicator, which compares the rank of the ground-truth token with its expected rank under the prediction distribution. The inverse indicator is used as a token-wise Relative Scale to reweight the fine-tuning objective, focusing updates on truly under-learned tokens without over-penalizing intrinsically uncertain positions. Experiments on multiple backbones show consistent improvements on mathematical reasoning benchmarks, transfer gains on out-of-distribution reasoning, and pre code generation performance over probability-only or entropy-only reweighting baselines.
Authors: Wenbo Pan, Zhichao Liu, Xianlong Wang, Haining Yu, Xiaohua Jia
Abstract: Token attribution methods provide intuitive explanations for language model outputs by identifying causally important input tokens. However, as modern LLMs increasingly rely on extended reasoning chains, existing schemes face two critical challenges: (1) efficiency bottleneck, where attributing a target span of M tokens within a context of length N requires O(M*N) operations, making long-context attribution prohibitively slow; and (2) faithfulness drop, where intermediate reasoning tokens absorb attribution mass, preventing importance from propagating back to the original input. To address these, we introduce FlashTrace, an efficient multi-token attribution method that employs span-wise aggregation to compute attribution over multi-token targets in a single pass, while maintaining faithfulness. Moreover, we design a recursive attribution mechanism that traces importance through intermediate reasoning chains back to source inputs. Extensive experiments on long-context retrieval (RULER) and multi-step reasoning (MATH, MorehopQA) tasks demonstrate that FlashTrace achieves over 130x speedup over existing baselines while maintaining superior faithfulness. We further analyze the dynamics of recursive attribution, showing that even a single recursive hop improves faithfulness by tracing importance through the reasoning chain.
Authors: Zhen-Hao Xie, Jun-Tao Tang, Yu-Cheng Shi, Han-Jia Ye, De-Chuan Zhan, Da-Wei Zhou
Abstract: Multimodal Large Language Models (MLLMs) achieve strong performance through instruction tuning, but real-world deployment requires them to continually expand their capabilities, making Multimodal Continual Instruction Tuning (MCIT) essential. Recent methods leverage sparse expert routing to promote task specialization, but we find that the expert routing process suffers from drift as the data distribution evolves. For example, a grounding query that previously activated localization experts may instead be routed to irrelevant experts after learning OCR tasks. Meanwhile, the grounding-related experts can be overwritten by new tasks and lose their original functionality. Such failure reflects two problems: router drift, where expert selection becomes inconsistent over time, and expert drift, where shared experts are overwritten across tasks. Therefore, we propose StAbilized Mixture-of-Experts (SAME) for MCIT. To address router drift, SAME stabilizes expert selection by decomposing routing dynamics into orthogonal subspaces and updating only task-relevant directions. To mitigate expert drift, we regulate expert updates via curvature-aware scaling using historical input covariance in a rehearsal-free manner. SAME also introduces adaptive expert activation to freeze selected experts during training, reducing redundant computation and cross-task interference. We also introduce a new benchmark to evaluate MCIT with long task sequence, and extensive experiments demonstrate SAME's SOTA performance. Code is available at https://github.com/LAMDA-CL/Prism.
Authors: Chu Zhao, Enneng Yang, Yuting Liu, Jianzhe Zhao, Guibing Guo
Abstract: Test-time reinforcement learning generates multiple candidate answers via repeated rollouts and performs online updates using pseudo-labels constructed by majority voting. To reduce overhead and improve exploration, prior work introduces tree structured rollouts, which share reasoning prefixes and branch at key nodes to improve sampling efficiency. However, this paradigm still faces two challenges: (1) high entropy branching can trigger rollout collapse, where the branching budget concentrates on a few trajectories with consecutive high-entropy segments, rapidly reducing the number of effective branches; (2) early pseudo-labels are noisy and biased, which can induce self-reinforcing overfitting, causing the policy to sharpen prematurely and suppress exploration. To address these issues, we propose Entropy Confidence Hybrid Group Relative Policy Optimization (ECHO). During rollout, ECHO jointly leverages local entropy and group level confidence to adaptively control branch width, and further introduces online confidence-based pruning to terminate persistently low confidence branches, avoiding high entropy traps and mitigating collapse. During policy updates, ECHO employs confidence adaptive clipping and an entropy confidence hybrid advantage shaping approach to enhance training robustness and mitigate early stage bias. Experiments demonstrate that ECHO achieves consistent gains on multiple mathematical and visual reasoning benchmarks, and generalizes more effectively under a limited rollout budget.
Authors: Marcus Fechner, Hamza Adnan, Constantin C. L\"uth, Matthew T. Jackson, Alexey Zakharov, J. Marius Z\"ollner
Abstract: Latent action models (LAMs) offer a promising path to pre-training embodied agents on large amounts of action-free video. They infer latent actions between consecutive observations that can later be decoded to ground-truth actions using a small number of labels. However, recent work has shown that this recipe fails in the presence of action-correlated visual distractors common in real-world video, such as dynamic backgrounds, camera shake, or other moving objects. In these scenarios, the standard reconstruction objective drives latent actions to encode exogenous motion instead of agent-controlled dynamics, resulting in policies that underperform when fine-tuned. We observe, however, that endogenous and exogenous factors are typically spatially separated in pixel space: control-relevant change is concentrated on the agent, while distractor motion occurs elsewhere. We exploit this observation by restricting the reconstruction objective to agent pixels, forcing latent actions to explain agent-controlled dynamics rather than exogenous ones. We call this method MaskLAM; it obtains the agent mask zero-shot from off-the-shelf segmentation foundation models (e.g., SAM) and requires no architectural changes, auxiliary losses, or action labels during pre-training. Across two continuous-control benchmarks (Distracting Control Suite, Distracting Meta-World), MaskLAM reduces normalized linear-probe MSE by up to $3.51\times$ and improves normalized return by up to $4.97\times$ over LAPO, while narrowing the gap to LAOM-Labels, which relies on ground-truth action supervision.
Authors: Zekun Wang, Anant Gupta, Christopher J. MacLellan
Abstract: Continual learning aims to acquire tasks sequentially without catastrophic forgetting, yet standard strategies face a core tradeoff: regularization-based methods (e.g., EWC) can overconstrain updates when task optima are weakly overlapping, while replay-based methods can retain performance but drift due to imperfect replay. We study a hybrid perspective: \emph{trust region continual learning} that combines generative replay with a Fisher-metric trust region constraint. We show that, under local approximations, the resulting update admits a MAML-style interpretation with a single implicit inner step: replay supplies an old-task gradient signal (query-like), while the Fisher-weighted penalty provides an efficient offline curvature shaping (support-like). This yields an emergent meta-learning property in continual learning: the model becomes an initialization that rapidly \emph{re-converges} to prior task optima after each task transition, without explicitly optimizing a bilevel objective. Empirically, on task-incremental diffusion image generation and continual diffusion-policy control, trust region continual learning achieves the best final performance and retention, and consistently recovers early-task performance faster than EWC, replay, and continual meta-learning baselines.
Authors: Gibbs Nwemadji, Bruno Loureiro, Jean Barbier
Abstract: Pre-training on a source task is usually expected to facilitate fine-tuning on similar downstream problems. In this work, we mathematically show that this naive intuition is not always true: excessive pre-training can computationally slow down fine-tuning optimization. We study this phenomenon for low-rank adaptation (LoRA) fine-tuning on single-index models trained under one-pass SGD. Leveraging a summary statistics description of the fine-tuning dynamics, we precisely characterize how the convergence rate depends on the initial fine-tuning alignment and the degree of non-linearity of the target task. The key take away is that even when the pre-training and downstream tasks are well aligned, strong pre-training can induce a prolonged search phase and hinder convergence. Our theory thus provides a unified picture of how pre-training strength and task difficulty jointly shape the dynamics and limitations of LoRA fine-tuning in a nontrivial tractable model. On the practical side, we empirically show that our theoretical findings extend beyond our toy model and remain relevant in the context of a vision-transformer model trained on real data.
Authors: Hyunji Jung, Sungbin Shin, Namhoon Lee
Abstract: Asynchronous pipeline parallelism maximizes hardware utilization by eliminating the pipeline bubbles inherent in synchronous execution, offering a path toward efficient large-scale distributed training. However, this efficiency gain can be compromised by gradient staleness, where the immediate model updates with delayed gradients introduce noise into the optimization process. Crucially, we identify a critical, yet often overlooked, pathology: this delay scales linearly with pipeline depth, fundamentally undermining the very scalability that the method originally intends to provide. We trace this pathology to a specific property of the optimization landscape: the misalignment between the Hessian eigenbasis and the standard coordinate basis, which triggers oscillations in the update trajectories of coordinate-wise adaptive optimizers. We identify that these oscillations cause delayed updates to diverge from their true counterparts, invalidating their use for current iterations. This insight is formalized through theoretical analysis, including a convergence bound showing that basis misalignment amplifies the delay penalty, and substantiated with empirical evaluation. To address this, we propose basis rotation, a framework that rotates the optimizer's coordinate system to align with the Hessian eigenbasis, keeping delayed updates useful. We theoretically demonstrate that basis rotation minimizes basis misalignment, thereby counteracting the conditions that amplify delay penalties. Empirically, in training up to a 3B-parameter LLM, basis rotation reduces the required iterations by 81.7\% compared to the best-performing asynchronous baseline.
Authors: Yuntong Hu, Yuting Zhang, Matthew Trager, Yi Zhang, Shuo Yang, Wei Xia, Stefano Soatto
Abstract: Large language model (LLM)-based multi-agent systems (MAS) show strong promise for complex reasoning, planning, and tool-augmented tasks, but designing effective MAS architectures remains labor-intensive, brittle, and hard to generalize. Existing automatic MAS generation methods either rely on code generation, which often leads to executability and robustness failures, or impose rigid architectural templates that limit expressiveness and adaptability. We propose Evolutionary Generation of Multi-Agent Systems (EvoMAS), which formulates MAS generation as structured configuration generation. EvoMAS performs evolutionary generation in configuration space. Specifically, EvoMAS selects initial configurations from a pool, applies feedback-conditioned mutation and crossover guided by execution traces, and iteratively refines both the candidate pool and an experience memory. We evaluate EvoMAS on diverse benchmarks, including BBEH, SWE-Bench, and WorkBench, covering reasoning, software engineering, and tool-use tasks. EvoMAS consistently improves task performance over both human-designed MAS and prior automatic MAS generation methods, while producing generated systems with higher executability and runtime robustness. EvoMAS outperforms the agent evolution method EvoAgent by +10.5 points on BBEH reasoning and +7.1 points on WorkBench. With Claude-4.5-Sonnet, EvoMAS also reaches 79.1% on SWE-Bench-Verified, matching the top of the leaderboard. Code is available at https://github.com/amazon-science/EvoMAS
Authors: Zitao Song, Cedar Site Bai, Zhe Zhang, Brian Bullins, David F. Gleich
Abstract: Adaptive methods like Adam have become the $\textit{de facto}$ standard for large-scale vector and Euclidean optimization due to their coordinate-wise adaptation with a second-order nature. More recently, matrix-based spectral optimizers like Muon (Jordan et al., 2024b) show the power of treating weight matrices as matrices rather than long vectors. Linking these is hard because many natural generalizations are not feasible to implement, and we also cannot simply move the Adam adaptation to the matrix spectrum. To address this, we reformulate the AdaGrad update and decompose it into a variance adaptation term and a scale-invariant term. This decoupling produces $\textbf{DeVA}$ ($\textbf{De}$coupled $\textbf{V}$ariance $\textbf{A}$daptation), a framework that bridges between vector-based variance adaptation and matrix spectral optimization, enabling a seamless transition from Adam to adaptive spectral descent. Extensive experiments across language modeling and image classification demonstrate that DeVA consistently outperforms state-of-the-art methods such as Muon and SOAP (Vyas et al., 2024), reducing token usage by around 6.6\%. Theoretically, we show that the variance adaptation term effectively improves the blockwise smoothness, facilitating faster convergence. Our implementation is available at https://github.com/Tsedao/Decoupled-Variance-Adaptation
URLs: https://github.com/Tsedao/Decoupled-Variance-Adaptation
Authors: Jia Li, Yu Hou, Rui Zhang
Abstract: Automatically discovering personalized trajectories (i.e., sequential event patterns) from longitudinal EHR data is crucial for enabling precision medicine in clinical research, yet it remains a formidable challenge even for contemporary AI models. For example, while the attention mechanism of transformers can capture rich associations, it is largely agnostic to event timing and ordering, thereby bypassing potential causal reasoning. Intuitively, we need a method capable of evaluating the ``degree of alignment'' among patient-specific trajectories and identifying their shared patterns, that is, the significant events in a consistent sequence. This necessitates treating timing as a true **computable** dimension, allowing models to assign ``relative timestamps'' to candidate events beyond their observed physical times. In this work, we introduce LITT (Individual-Level Time Transformation), a novel architecture that enables temporary alignment of sequential events on a virtual ``relative timeline'', thereby enabling **event-timing-focused attention** and personalized interpretations of clinical trajectories. Its interpretability and effectiveness are validated on real-world longitudinal EHR data from 3,276 breast cancer patients to predict the onset timing of cardiotoxicity-induced heart disease. Furthermore, LITT outperforms both the benchmark and state-of-the-art survival analysis methods on public datasets, positioning it as a significant step forward for precision medicine in clinical AI.
Authors: Max Cairney-Leeming, Amartya Sanyal, Christoph H. Lampert
Abstract: A central requirement for the acceptance of machine learning methods for human-centric tasks is that they should be fair, in the sense that they should work comparably well for individuals from different societal groups. A second, equally important, requirement is that they should respect the privacy of user data. While techniques exist to address each aspect in isolation, such as worst-case group optimization for the former and differentially private SGD for the latter, these are often at odds with with each other, and no practical method currently exists to enforce both requirements simultaneously. In this work, we overcome this problem and propose an algorithm for optimizing the worst-case group accuracy in a differentially private way. Our main contribution is ASC (Adaptively Sampled and Clipped Worst-case Group Optimization), which adaptively controls both the sampling rate and the clipping threshold of each group's gradient contributions. Thereby, it is able to reweight the training objective in favor of harder-to-learn groups, while keeping the noise required to enforce privacy low enough to preserve model utility. Our experiments show that ASC achieves substantially higher worst-case group accuracy than prior work, without sacrificing overall average accuracy.
Authors: Jinwoo Kim, Taylor Berg-Kirkpatrick, Loris D'Antoni
Abstract: Diffusion language models offer a promising alternative to autoregressive models due to their global, non-causal generation process, but their continuous latent dynamics make discrete constraints -- e.g., the output should be a JSON file that matches a given schema -- difficult to impose. We introduce a training-free guidance method for steering continuous diffusion language models to satisfy formal syntactic constraints expressed using regular expressions. Our approach constructs an analytic score estimating the probability that a latent state decodes to a valid string accepted by a given regular expression, and uses its gradient to guide sampling, without training auxiliary classifiers. The denoising process targets the base model conditioned on syntactic validity. We implement our method in Diffinity on top of the PLAID diffusion model and evaluate it on 180 regular-expression constraints over JSON and natural-language benchmarks. Diffinity achieves 68-96\% constraint satisfaction while incurring only a small perplexity cost relative to unconstrained sampling, outperforming autoregressive constrained decoding in both constraint satisfaction and output quality. Diffinity is open-sourced at github.com/large-loris-models/Diffinity.
Authors: Chundong Liang, Yongqi Huang, Dongxiao He, Peiyuan Li, Yawen Li, Di Jin, Weixiong Zhang
Abstract: Graph pre-training has achieved remarkable success in recent years, delivering transferable representations for downstream adaptation. However, most existing methods are designed for either homogeneous or heterogeneous graphs, thereby hindering unified graph modeling across diverse graph types. This separation contradicts real-world applications, where mixed homogeneous and heterogeneous graphs are ubiquitous, and distribution shifts between upstream pre-training and downstream deployment are common. In this paper, we empirically demonstrate that a balanced mixture of homogeneous and heterogeneous graph pre-training benefits downstream tasks and propose a unified multi-domain \textbf{G}raph \textbf{P}re-training method across \textbf{H}omogeneous and \textbf{H}eterogeneous graphs ($\mathbf{GPH^{2}}$). To address the lack of a unified encoder for homogeneous and heterogeneous graphs, we propose a Unified Multi-View Graph Construction that simultaneously encodes both without explicit graph-type-specific designs. To cope with the increased cross-domain distribution discrepancies arising from mixed graphs, we introduce domain-specific expert encoding. Each expert is independently pre-trained on a single graph to capture domain-specific knowledge, thereby shielding the pre-training encoder from the adverse effects of cross-domain discrepancies. For downstream tasks, we further design a Task-oriented Expert Fusion Strategy that adaptively integrates multiple experts based on their discriminative strengths. Extensive experiments on mixed graphs demonstrate that $\text{GPH}^{2}$ enables stable transfer across graph types and domains, significantly outperforming existing graph pre-training methods.
Authors: Gabriel Franco, Carson Loughridge, Mark Crovella
Abstract: Identifying feature representations in language models is a central task in mechanistic interpretability. Several recent studies have made the observation that feature representations can be inferred in some cases from singular vectors of attention matrices. However, sound justification for this phenomenon is lacking. In this paper we address that question, asking: why and when do singular vectors align with features? First, we demonstrate that singular vectors robustly align with features in a model where features can be directly observed. We then show theoretically that such alignment is expected under a range of conditions. We close by asking how, operationally, alignment may be recognized in real models where feature representations are not directly observable. We identify sparse attention decomposition as a testable prediction of alignment, and show evidence that it emerges in real models in a manner consistent with predictions. Together these results suggest that alignment of singular vectors with features can be a sound and theoretically justified basis for feature identification in language models.
Authors: Mohammad Taufeeque, Stefan Heimersheim, Adam Gleave, Chris Cundy
Abstract: Training against white-box deception detectors has been proposed as a way to make AI systems honest. However, such training risks models learning to obfuscate their deception to evade the detector. Prior work has studied obfuscation only in artificial settings where models were directly rewarded for harmful output. We construct a realistic coding environment where reward hacking via hardcoding test cases naturally occurs, and show that obfuscation emerges in this setting. We introduce a taxonomy of possible outcomes when training against a deception detector. The model either remains honest, or becomes deceptive via two possible obfuscation strategies. (i) Obfuscated activations: the model outputs deceptive text while modifying its internal representations to no longer trigger the detector. (ii) Obfuscated policy: the model outputs deceptive text that evades the detector, typically by including a justification for the reward hack. Empirically, obfuscated activations arise from representation drift during RL, with or without a detector penalty. The detector penalty only incentivizes obfuscated policies; we theoretically show this is expected for policy gradient methods. Sufficiently high KL regularization and detector penalty can yield honest policies, establishing white-box deception detectors as viable training signals for tasks prone to reward hacking.
Authors: Adam Zweiger, Xinghong Fu, Han Guo, Yoon Kim
Abstract: Scaling language models to long contexts is often bottlenecked by the size of the key-value (KV) cache. In deployed settings, long contexts are typically managed through compaction in token space via summarization. However, summarization can be highly lossy, substantially harming downstream performance. Recent work on Cartridges has shown that it is possible to train highly compact KV caches in latent space that closely match full-context performance, but at the cost of slow and expensive end-to-end optimization. This work describes an approach for fast context compaction in latent space through Attention Matching, which constructs compact keys and values to reproduce attention outputs and preserve attention mass at a per-KV-head level. We show that this formulation naturally decomposes into simple subproblems, some of which admit efficient closed-form solutions. Within this framework, we develop a family of methods that significantly push the Pareto frontier of compaction time versus quality, achieving up to 50x compaction in seconds on some datasets with little quality loss.
Authors: Hanna Herasimchyk, Robin Labryga, Tomislav Prusina, S\"oren Laue
Abstract: Transformer models systematically favor certain token positions, yet the architectural origins of this position bias remain poorly understood. This bias is closely connected to the Lost-in-the-Middle phenomenon, where models underutilize information placed in the middle of the context. We show that Lost-in-the-Middle-type behavior can arise from the architecture of causal Transformers itself. To do so, we develop a structural theory of position bias based on residual-aware cumulative attention rollout. At finite depth, causal masking and residual connections induce broad, often U-shaped, influence profiles. At infinite depth, our framework resolves a discrepancy between prior attention-only collapse theory and practical Transformer behavior: residual connections fundamentally change cumulative attention dynamics. Empirically, the predicted profiles closely match measured input-token influence in pretrained language models.
Authors: Gabriel Raya, Bac Nguyen, Georgios Batzolis, Yuhta Takida, Dejan Stancevic, Naoki Murata, Chieh-Hsin Lai, Yuki Mitsufuji, Luca Ambrogioni
Abstract: We introduce InfoNoise, an online adaptive noise schedule for diffusion training that reallocates optimization effort toward noise levels where denoising is most informative. Together with loss weighting, a noise schedule induces an effective allocation across denoising problems, often fixed before informative noise levels are known. InfoNoise makes this allocation data-adaptive by estimating a conditional-entropy-rate profile from denoising losses during training, without auxiliary models or offline search. Through I--MMSE, this profile identifies where noisy observations rapidly reduce uncertainty about the clean sample and guides adaptation of the training noise distribution. It changes only this distribution, keeping the objective, weighting, and parameterization fixed. On image benchmarks, where schedules have been extensively tuned, InfoNoise matches or slightly exceeds strong baselines and can reach the same quality with fewer updates. On representation, sequence, and modality shifts, including DNA and language generation, InfoNoise improves over fixed and adaptive baselines and reaches target quality with up to $3\times$ less training compute. These results establish the conditional-entropy-rate profile as the data-dependent target for noise schedule design and make online adaptation a practical alternative to manual schedule search.
Authors: Stephen Zhewen Lu, Aakarsh Vermani, Kohei Sanno, Jiarui Lu, Frederick A Matsen, Milind Jagota, Yun S. Song
Abstract: Common deep learning approaches for antibody engineering focus on modeling the marginal distribution of sequences. By treating sequences as independent samples, however, these methods overlook affinity maturation as a rich and largely untapped source of information about the evolutionary process by which antibodies explore the underlying fitness landscape. In contrast, classical phylogenetic models explicitly represent evolutionary dynamics but lack the expressivity to capture complex epistatic interactions. We bridge this gap with CoSiNE, a continuous-time Markov chain parameterized by a deep neural network. Mathematically, we prove that CoSiNE provides a first-order approximation to the intractable sequential point mutation process, capturing epistatic effects with an error bound that is quadratic in branch length. Empirically, CoSiNE outperforms state-of-the-art language models in zero-shot variant effect prediction by explicitly disentangling selection from context-dependent somatic hypermutation. Finally, we introduce Guided Gillespie, a classifier-guided sampling scheme that steers CoSiNE at inference time, enabling efficient optimization of antibody binding affinity toward specific antigens.
Authors: Abduragim Shtanchaev, Albina Ilina, Yazid Janati, Arip Asadulaev, Martin Takac, Eric Moulines
Abstract: Pretrained diffusion models are effective priors for Bayesian inverse problems, but posterior sampling with these priors is often costly because data-consistency guidance is applied throughout the full reverse trajectory. Existing methods have shown that vector-Jacobian products through the denoiser can sometimes be avoided, yet they typically still rely on dense guidance through the full trajectory or expensive inner solves. We introduce Sparse Scheduled Diffusion Guidance for Inverse Problems (Spin), a solver that avoids starting posterior sampling from pure noise. Spin first samples from a posterior time-marginal at an intermediate timestep $t_*$, and then uses that state as a warm start for a guided reverse diffusion process. At guidance time, instead of enforcing the measurement constraint at every denoising step, Spin applies lightweight corrections only at scheduled timesteps where the denoiser can still clean up artifacts. The resulting procedure decouples prior refinement from data consistency: the prior supplies denoising, while lightweight pixel-space optimization enforces the measurement constraint without backpropagation through the denoiser or decoder. Across linear and nonlinear inverse problems on FFHQ and ImageNet, Spin achieves competitive reconstruction quality with a substantially better runtime--memory profile, running 2x faster on pixel-space models and up to 50x faster on latent diffusion models, with lower memory costs.
Authors: Zhengzhao Ma, Xueru Wen, Boxi Cao, Yaojie Lu, Hongyu Lin, Jinglin Yang, Min He, Xianpei Han, Le Sun
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) significantly enhances large language models (LLMs) reasoning but severely suffers from calibration degeneration, where models become excessively over-confident in incorrect answers. Previous studies devote to directly incorporating calibration objective into existing optimization target. However, our theoretical analysis demonstrates that there exists a fundamental gradient conflict between the optimization for maximizing policy accuracy and minimizing calibration error. Building on this insight, we propose DCPO, a simple yet effective framework that systematically decouples reasoning and calibration objectives. Extensive experiments demonstrate that our DCPO not only preserves accuracy on par with GRPO but also achieves the best calibration performance and substantially mitigates the over-confidence issue. Our study provides valuable insights and practical solution for more reliable LLM deployment.
Authors: Prithviraj Tarale, Kiet Chu, Abhishek Varghese, Kai-Chun Liu, Maxwell A. Xu, Mohit Iyyer, Sunghoon I. Lee
Abstract: Wearable accelerometers enable large-scale health monitoring, yet learning robust human-activity representations has been constrained by scarce labeled data. While self-supervised learning offers a remedy, existing methods treat sensor streams as unstructured time series, overlooking the underlying biological structure of human movement, a factor we argue is critical for effective Human Activity Recognition (HAR). We introduce a novel tokenization strategy grounded in the submovement theory of motor control, which posits that continuous wrist motion is composed of elementary basis functions called submovements. We define our token as the movement segment, a computationally tractable unit of motion composed of a finite sequence of submovements. By pretraining a Transformer encoder via masked reconstruction of these tokens, we shift the learning focus from local waveform morphology to high-level structural and temporal organization. Pretrained on the NHANES corpus (approximately 28k hours; 11k participants), our representations outperform strong wearable SSL baselines across six subject-disjoint HAR benchmarks. Code and pretrained weights are available at https://prithvitarale.github.io/biopm-site/.
Authors: Khiem Le, Sreejata Dey, Marcos Mart\'inez Galindo, Vanessa Lopez, Ting Hua, Nitesh V. Chawla, Hoang Thanh Lam
Abstract: Molecular Property Prediction (MPP) is a fundamental problem in drug discovery that has recently attracted growing attention. Large Language Models (LLMs), known for their impressive proficiency across domains, show promise as generalist models for MPP. However, their current performance remains below the threshold needed for practical adoption. To bridge this gap, we propose TreeKD for distilling the knowledge of tree-based specialist models into LLMs to complement the internal knowledge of LLMs and improve their predictive accuracy. For each property, we train a specialist decision tree using features derived from 40K functional groups in the input molecules. Then, the predictive rule learned by the decision tree, which encodes its knowledge, is verbalized and incorporated into the prompts for training LLMs. In addition, by replacing a single decision tree with a Random Forest, we introduce a test-time scaling technique called rule-consistency, which aggregates predictions generated from different prompts constructed with different rules. An extensive evaluation with two LLMs, Gemma-2-2B and Granite-3.3-2B, on the TDC benchmark with 22 prediction tasks shows that our method substantially enhances the performance of LLMs, advancing the development of generalist models for MPP.
Authors: Nicholas Gao, Till Grutschus, Frank No\'e, Stephan G\"unnemann
Abstract: Neural-network wave functions in Variational Monte Carlo (VMC) have achieved great success in accurately representing both ground and excited states. However, achieving sufficient numerical accuracy in state overlaps requires increasing the number of Monte Carlo samples, and consequently the computational cost, with the number of states. We present a nearly constant sample-size approach, Multi-State Importance Sampling (MSIS), that leverages samples from all states to estimate pairwise overlap. To efficiently evaluate all states for all samples, we introduce Excited Pfaffians. Inspired by Hartree-Fock, this architecture represents many states within a single neural network. Excited Pfaffians also serve as generalized wave functions, allowing a single model to represent multi-state potential energy surfaces. On the carbon dimer, we match the $O(N_s^4)$-scaling natural excited states while training $>200\times$ faster and modeling 50% more states. Our favorable scaling enables us to be the first to use neural networks to find all distinct energy levels of the beryllium atom. Finally, we demonstrate that a single wave function can represent excited states across various molecules.
Authors: Qiyuan Chen, Xian Wu, Yi Wang, Xianhao Chen
Abstract: Fine-tuning large models on edge devices is severely hindered by the memory-intensive backpropagation (BP) in standard frameworks like federated learning and split learning. While substituting BP with zeroth-order optimization can significantly reduce memory footprints, it typically suffers from prohibitively degraded convergence speed. To resolve this dilemma, we propose Hybrid-Order Split Federated Learning (HO-SFL). By reformulating the split learning process within a Lagrangian framework, HO-SFL decouples the optimization landscape: The server performs precise first-order updates (i.e., BP), whereas clients conduct memory-efficient zeroth-order optimization. This hybrid design not only eliminates the need for client-side BP but also enables dimension-free model aggregation, drastically lowering communication costs. Crucially, we provide a theoretical convergence analysis, demonstrating that HO-SFL mitigates the dimension-dependent convergence slowdown of zeroth-order optimization, achieving a convergence rate comparable to first-order methods. Extensive experiments on tasks across vision and language modalities validate that HO-SFL achieves convergence speeds comparable to first-order baselines while significantly reducing communication costs and client memory footprints.
Authors: Yu-Chen Den, Kuan-Yu Chen, Kendro Vincent, Darby Tien-Hao Chang
Abstract: Transformer-based models have been widely adopted for time-series forecasting due to their high representational capacity and architectural flexibility. However, many Transformer variants implicitly assume stationarity and stable temporal dynamics -- assumptions routinely violated in financial markets characterized by regime shifts and non-stationarity. Empirically, state-of-the-art time-series Transformers often underperform even vanilla Transformers on financial tasks, while simpler architectures with distinct inductive biases, such as CNNs and RNNs, can achieve stronger performance with substantially lower complexity. At the same time, no single inductive bias dominates across markets or regimes, suggesting that robust financial forecasting requires integrating complementary temporal priors. We propose TIPS (Transformer with Inductive Prior Synthesis), a knowledge distillation framework that synthesizes diverse inductive biases -- causality, locality, and periodicity -- within a unified Transformer. TIPS trains bias-specialized Transformer teachers via attention masking, then distills their knowledge into a single student model with regime-dependent alignment across inductive biases. Across four major equity markets, TIPS achieves state-of-the-art performance, outperforming strong ensemble baselines by 55%, 9%, and 16% in annual return, Sharpe ratio, and Calmar ratio, while requiring only 38% of the inference-time computation. Further analyses show that TIPS generates statistically significant excess returns beyond both vanilla Transformers and its teacher ensembles, and exhibits regime-dependent behavioral alignment with classical architectures during their profitable periods. These results highlight the importance of regime-dependent inductive bias utilization for robust generalization in non-stationary financial time series.
Authors: Dmitry Zaytsev, Valentina Kuskova, Michael Coppedge
Abstract: Time-varying causal models provide a powerful framework for studying dynamic scientific systems, yet most existing approaches assume that the underlying causal network is known a priori - an assumption rarely satisfied in real-world domains where causal structure is uncertain, evolving, or only indirectly observable. This limits the applicability of dynamic causal inference in many scientific settings. We propose Dynamic Causal Network Autoregression (DCNAR), a two-stage neural causal modeling framework that integrates data-driven causal discovery with time-varying causal inference. In the first stage, a neural autoregressive causal discovery model learns a sparse directed causal network from multivariate time series. In the second stage, this learned structure is used as a structural prior for a time-varying neural network autoregression, enabling dynamic estimation of causal influence without requiring pre-specified network structure. We evaluate the scientific validity of DCNAR using behavioral diagnostics that assess causal necessity, temporal stability, and sensitivity to structural change, rather than predictive accuracy alone. Experiments on multi-country panel time-series data demonstrate that learned causal networks yield more stable and behaviorally meaningful dynamic causal inferences than coefficient-based or structure-free alternatives, even when forecasting performance is comparable. These results position DCNAR as a general framework for using AI as a scientific instrument for dynamic causal reasoning under structural uncertainty.
Authors: Huanran Chen, Huaqing Zhang, Xiao Li, Yinpeng Dong, Ke Shen, Jun Zhu
Abstract: The foundational capabilities of large language models are acquired during pretraining on internet-scale, highly heterogeneous data mixtures. In this work, we investigate an interesting geometric question regarding the converged state of pretraining: Does the model converge to a common minimizer across all data sources (e.g., \cref{fig:cwa_illustration:close}), or merely a minimizer of the summed loss (e.g., \cref{fig:cwa_illustration:distant})? We hypothesize that the geometric "closeness" of task-specific minima is intrinsically linked to downstream generalization. We reveal that standard optimizers (e.g., AdamW) often converge to points where task-specific minima are distant from each other. To address this, we propose the Nexus optimizer, which encourages the closeness of these minima by maximizing gradient similarity during optimization. Experiments across models ranging from 130M to 3B parameters, various data mixtures and hyperparameter schedules, show that Nexus \textit{significantly boosts downstream performance}, despite \textit{achieving the same pretraining loss} (see \cref{fig:demo:benchmark}). Notably, on the 3B model, Nexus reduces the out-of-distribution loss by 0.012 and yields up to a 15.0\% accuracy improvement on complex reasoning tasks (e.g., GSM8k). This finding challenges the reliance on pretraining loss as the sole proxy for model evaluation and demonstrates the importance of implicit biases in unlocking downstream generalization.
Authors: Haolong Hu, Hanyu Li, Tiancheng He, Huahui Yi, An Zhang, Qiankun Li, Kun Wang, Yang Liu, Zhigang Zeng
Abstract: MLLMs are increasingly deployed in multi-turn settings, where attackers can escalate unsafe intent through the evolving visual-text history and exploit long-context safety decay. Yet safety alignment is still dominated by single-turn data and fixed-template dialogues, leaving a mismatch between training and deployment. To bridge this gap, we propose SaFeR-Steer, a progressive multi-turn alignment framework that combines staged synthetic bootstrapping with tutor-in-the-loop GRPO to train a single student under adaptive, on-policy attacks. We also introduce Trajectory-Consistent Summative Reward (TCSR), which aggregates the historical minimum and average of turn rewards so that any low-quality turn affects the trajectory-level return. I. Dataset. We release STEER, a multi-turn multimodal safety dataset with STEER-SFT (12,934), STEER-RL (2,000), and STEER-Bench (3,227) dialogues spanning 2-10 turns. II. Experiment. Starting from Qwen2.5-VL-3B/7B, SaFeR-Steer substantially improves Safety/Helpfulness on both single-turn (48.30/45.86 $\rightarrow$ 81.84/70.77 for 3B; 56.21/60.32 $\rightarrow$ 87.89/77.40 for 7B) and multi-turn benchmarks (12.55/27.13 $\rightarrow$ 55.58/70.27 for 3B; 24.66/46.48 $\rightarrow$ 64.89/72.35 for 7B), shifting failures to later turns and yielding robustness beyond scaling alone. Code is available at https://anonymous.4open.science/r/SaFeR-Steer
Authors: Jiaoyang Ruan, Xin Gao, Yinda Chen, Hengyu Zeng, Liang Du, Guanghao Li, Jie Fu, Jian Pu
Abstract: While Diffusion Large Language Models (dLLMs) offer structural advantages for global planning, efficiently verifying that they arrive at correct answers via valid reasoning traces remains a critical challenge. In this work, we propose a geometric perspective: Reasoning on the Manifold. We hypothesize that valid generation trajectories reside as stable attractors on the high-density manifold of the learned distribution, whereas invalid paths exhibit off-manifold drift. To operationalize this, we introduce Bidirectional Manifold Consistency (BMC), a training-free, unsupervised metric that quantifies the stability of the generated sequence through a forward-masking and backward-reconstruction cycle. Empirically, we demonstrate BMC's versatility across the full reasoning lifecycle: (1) in Diagnosis, it serves as a robust discriminator of solution validity without ground truth answer; (2) in Inference, it enables rejection resampling to effectively concentrate computational resources on complex reasoning tasks; and (3) in Alignment, it functions as a dense geometric reward that transforms sparse outcome supervision into fine-grained guidance, empowering models to self-evolve beyond standard baselines. Our results establish intrinsic geometric stability as a robust indicator of correctness for dLLMs.
Authors: Muhammad Rajabinasab, Arthur Zimek
Abstract: Feature selection is a fundamental machine learning and data mining task, involved with discriminating redundant features from informative ones. It is an attempt to address the curse of dimensionality by removing the redundant features, while unlike dimensionality reduction methods, preserving explainability. Feature selection is conducted in both supervised and unsupervised settings, with different evaluation metrics employed to determine which feature selection algorithm is the best. In this paper, we propose FSEVAL, a feature selection evaluation toolbox accompanied with a visualization dashboard, with the goal to make it easy to comprehensively evaluate feature selection algorithms. FSEVAL aims to provide a standardized, unified, evaluation and visualization toolbox to help the researchers working in the field, conduct extensive and comprehensive evaluation of feature selection algorithms with ease.
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: Huayu Deng, Jinghui Zhong, Xiangming Zhu, Yunbo Wang, Xiaokang Yang
Abstract: High-fidelity measurements of continuum physical fields are essential for scientific discovery and engineering design but remain challenging under sparse and constrained sensing. Conventional reconstruction methods typically rely on fixed sensor layouts, which cannot adapt to evolving physical states. We propose LASER, a unified, closed-loop framework that formulates active sensing as a Partially Observable Markov Decision Process (POMDP). At its core, LASER employs a continuum field latent world model that captures the underlying physical dynamics and provides intrinsic reward feedback. This enables a reinforcement learning policy to simulate ''what-if'' sensing scenarios within a latent imagination space. By conditioning sensor movements on predicted latent states, LASER navigates toward potentially high-information regions beyond current observations. Our experiments demonstrate that LASER consistently outperforms static and offline-optimized strategies, achieving high-fidelity reconstruction under sparsity across diverse continuum fields.
Authors: Andrea Goertzen, Kaveh Alim, Youngjae Min, Navid Azizan
Abstract: Enforcing constraint satisfaction in neural network outputs is critical for safety, reliability, and physical fidelity in many control and decision-making applications. While soft-constrained methods penalize constraint violations during training, they do not guarantee constraint adherence during inference. Other approaches guarantee constraint satisfaction via a projection layer, but often rely on the existence of a tractable projection onto the feasible set, limiting their utility in more general problem settings. Many real-world problems of interest are nonlinear and lack the special structure admitting a tractable projection, motivating the development of methods that can enforce general nonlinear constraints. To this end, we introduce HardNet++, a constraint-satisfaction method that enforces linear and nonlinear equality and inequality constraints. Our approach iteratively adjusts the network output via damped local linearizations of the constraints. Each iteration is differentiable, admitting an end-to-end training framework, where the constraint satisfaction layer is active during training. We show that under certain regularity conditions, this procedure enforces nonlinear constraint satisfaction to arbitrary tolerance. Finally, we demonstrate tight constraint adherence without loss of optimality in a learning-for-optimization context, where we apply this method to a nonlinear model predictive control problem.
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 bottleneck-sensitive non-linear reward aggregation to improve stability across competing molecular properties. Experiments on C-MuMOInstruct and S$^2$-Bench MolOpt show that C-Moral achieves the best performance among compared methods on both benchmarks. On C-MuMOInstruct, C-Moral achieves the best Success Optimized Rate (SOR) of 48.9\% on in-domain tasks and 39.5\% on out-of-domain tasks while preserving scaffold similarity. On S$^2$-Bench MolOpt, it also achieves the strongest results across LogP, MR, and QED optimization tasks. These results suggest that C-Moral is an effective way to align molecular LLMs with continuous and constrained molecular design objectives. Our code and models are publicly available at https://github.com/Rwigie/C-MORAL.
Authors: Nicola Zanarini, Niccol\`o Ferrari, Evelina Lamma
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: Minkyu Kim, Vincent-Daniel Yun, Youngrae Kim, Suin Cho, Woosang Lim, Sunwoo Lee
Abstract: Depth pruning improves the inference efficiency of large language models by removing Transformer blocks. Prior work typically treats layer redundancy as an inherent structural property of pretrained networks, emphasizing importance criteria and search algorithms to identify removable layers. In this study, we empirically investigate depth pruning from a functional perspective. Evaluating representative LLM families across diverse calibration configurations and multiple search algorithms, we show that different configurations produce different pruning patterns. Furthermore, under a fixed calibration configuration, complex search algorithms yield marginal performance improvements over simple one-shot methods, converging to similar pruned subsets. Overall, our results suggest that the calibration configuration plays a substantially larger role than the choice of search algorithm in shaping pruning patterns and calibration perplexity, while contributing comparably to variance in downstream reasoning accuracy. This indicates that future pruning efforts may benefit from prioritizing the calibration configuration over search complexity.
Authors: Satoshi Noguchi, Yoshinobu Kawahara
Abstract: We present Mesh Field Theory (MeshFT) and its neural realization, MeshFT-Net: a structure-preserving framework for mesh-based continuum physics that cleanly separates the physics' topological structure from its metric structure. Imposing minimal physical principles (locality, permutation equivariance, orientation covariance, and energy balance/dissipation inequality), we prove a reduction theorem for mesh-based physics. Under these conditions, the physical dynamics admit a local factorization into a port-Hamiltonian form: the conservative interconnection is fixed uniquely by mesh topology, whereas metric effects enter only through constitutive relations and dissipation. This reduction clarifies what must be fixed and what should be learned, directly informing MeshFT-Net's design. Across evaluations on analytic and realistic datasets, physics-consistency tests, and out-of-distribution validation, MeshFT-Net achieves near-zero energy drift and strong physical fidelity (correct dispersion and momentum conservation) along with robust extrapolation and high data efficiency. By eliminating non-physical degrees of freedom and learning only metric-dependent structure, MeshFT provides a principled inductive bias for stable, faithful, and data-efficient learning-based physical simulation.
Authors: Zhi-Quan Feng, Ying-Jia Lin, Hung-Yu Kao
Abstract: LoRA adapts large language models (LLMs) by restricting updates to low-rank subspaces of pre-trained weights. While this substantially reduces training cost, the effectiveness of adaptation critically depends on which subspace is chosen at initialization: a poor initialization that allocates capacity to task-irrelevant directions can severely hinder downstream performance. Existing initialization strategies primarily rely on the intrinsic properties of pre-trained weights, implicitly assuming that weight geometry alone reflects task relevance. However, such criteria overlook how the model interacts with the downstream data distribution. In this work, we formulate LoRA initialization as identifying the degree of impact of directions in parameter space under the target data distribution. We argue that data-aware sensitivity, rather than weight-only magnitude, should govern the choice of adaptation subspaces. Building on this perspective, we propose a Fisher-guided framework that leverages curvature information induced by downstream data to characterize how parameter perturbations influence model predictions. This perspective yields a principled, task-dependent criterion for selecting LoRA directions that better align adaptation with the target objective. Empirical results across diverse tasks and modalities demonstrate that data-aware initialization consistently and significantly improves downstream performance over existing approaches.
Authors: Yan Jiang, Ruihong Qiu, Zi Huang
Abstract: Recent diffusion large language models (dLLMs) have demonstrated both effectiveness and efficiency in reasoning via a block-based semi-autoregressive generation paradigm. Despite their progress, the fixed-size block generations remain a critical bottleneck for effective and coherent reasoning. 1. From a global perspective, different reasoning tasks would correspond to different optimal decoding block sizes, which makes a ``one-size-fits-all'' assumption ineffective. 2. Even within a single reasoning task, the rigid block partitioning would break the logical flow and reduce reasoning coherence. Through empirical observations, we reveal that for block-wise entropy, incorrect reasoning exhibits a fluctuating and unsteady trend between blocks, whereas the correctly generated tasks follow a consistent descending trend. Therefore, this paper proposes b1, a novel post-training framework for dLLMs that learns dynamic-size reasoning blocks via a Monotonic Entropy Descent objective with reinforcement learning to enhance reasoning coherence.b1 integrates seamlessly as a plug-and-play module with existing dLLM's post-training algorithms. Extensive experiments across various reasoning benchmarks showcase b1's consistent improvement over existing fixed-size block baselines. Our code has been released at https://github.com/YanJiangJerry/Block-R1.
Authors: Fabian A Mikulasch, Friedemann Zenke
Abstract: Self-supervised learning (SSL) excels at finding general-purpose latent representations from complex data, yet lacks a unifying theoretical framework that explains the diverse existing methods and guides the design of new ones. We cast SSL as latent distribution matching (LDM): learning representations that maximize their log-probability under an assumed latent model (alignment), while maximizing latent entropy to prevent collapse (uniformity). This view unifies independent component analysis with contrastive, non-contrastive, and predictive SSL methods, including stop gradient approaches. Leveraging LDM, we derive a nonlinear, sampling-free Bayesian filtering model with a Kalman-based predictor for high-dimensional timeseries. We further prove that predictive LDM yields identifiable latent representations under mild assumptions, even with nonlinear predictors. Overall, LDM clarifies the assumptions behind established SSL methods and provides principled guidance for developing new approaches.
Authors: Chacha Chen, Matthew J\"orke, Adam Goli\'nski, Masha Fedzechkina, Guillermo Sapiro, Sinead Williamson, Nicholas Foti
Abstract: Modern AI systems are being deployed in complex domains such as medicine, science, and law, where it is important that they not only produce correct answers, but also represent and update uncertain beliefs about the world as new evidence arrives. We introduce the novel technique of studying LLMs as information processing rules and utilize the information processing gap to study the internal (in)consistencies of how LLMs update their probabilistic beliefs from evidence. Our extensive experiments evaluate multiple approaches in which LLMs can incorporate evidence into their beliefs. Some of these approaches produce (nearly) Bayesian updates; others seem to use a learned heuristic. Surprisingly, the non-Bayesian heuristic updates often outperform exact Bayesian computation in terms of downstream task performance -- indicating the LLMs' probabilistic models of the world are misspecified. Lastly, we show how our measure can provide diagnostics to identify issues with LLM-powered inferential systems.
Authors: Bohan Lyu, Yucheng Yang, Siqiao Huang, Jiaru Zhang, Qixin Xu, Xinghan Li, Xinyang Han, Yicheng Zhang, Huaqing Zhang, Runhan Huang, Kaicheng Yang, Zitao Chen, Wentao Guo, Junlin Yang, Xinyue Ai, Wenhao Chai, Yadi Cao, Ziran Yang, Kun Wang, Dapeng Jiang, Huan-ang Gao, Shange Tang, Chengshuai Shi, Simon S. Du, Max Simchowitz, Jiantao Jiao, Dawn Song, Chi Jin
Abstract: Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.
URLs: https://mls-bench.com.
Authors: Han Xiao
Abstract: Test-time compute is widely believed to benefit only large reasoning models. We show it also helps small embedding models. Since modern embedding models are distilled from LLM backbones, a frozen encoder should benefit from extra inference compute without retraining. An agentic program-search loop explores 144 candidate programs over a frozen encoder API and produces twelve Pareto-optimal programs that trade extra inference compute for retrieval quality. The search independently rediscovers Rocchio pseudo-relevance feedback, ColBERT-style MaxSim at sentence granularity, reciprocal rank fusion, and the Fisher linear discriminant, all without trainable parameters or external models. Every frontier program improves nDCG@10 over the frozen baseline on all 14 tasks used during program search. Generalization is validated separately: a single fixed program, selected from the discovery frontier before any held-out evaluation, improves nDCG@10 on 61% of model-task pairs across three unseen encoder families and nineteen held-out retrieval tasks, without any per-task selection.
Authors: Jiaqi Han, Puheng Li, Qiushan Guo, Renyuan Xu, Stefano Ermon, Emmanuel J. Cand\`es
Abstract: Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256$\times$256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100$\times$ faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.
Authors: Yifan Duan, Siyuan Zheng, Lihuan Li, Chao Xue, Flora Salim
Abstract: Open datasets and benchmarks for entity-level carbon-emission prediction remain fragmented across access, scale, granularity, and evaluation. We introduce GHGbench, an open dataset and benchmark for company- and building-level greenhouse-gas prediction. The company track contains 32,000+ company-year records from 12,000+ firms with Scope 1+2 and Scope 3 disclosures and financial/sectoral signals; the building track harmonises 491,591 building-year records from 13 open sources into a single schema across 26 metropolitan areas (10 U.S., 15 Australian, 1 Singaporean), with climate covariates and multimodal remote-sensing embeddings. GHGbench defines canonical splits with in-distribution and cross-region/city transfer as primary tasks and temporal hold-out plus short-horizon forecasting as supplementary appendix evidence; headline baselines span gradient-boosted trees, a tabular foundation model, MLP, FT-Transformer, and multimodal fusion, with an LLM panel as auxiliary, all evaluated under multi-seed paired-bootstrap tests. Three benchmark-level findings emerge: (i) building emissions are structurally harder than company emissions; (ii) the in-distribution to out-of-distribution gap dwarfs any within-model gap across both the company track and the building track, and a tabular foundation model is, to our knowledge, the first baseline to open a paired-bootstrap-significant gap over tuned trees on a multi-city building-emissions task; (iii) multimodal remote-sensing embeddings help precisely where tabular generalisation breaks. GHGbench also exposes catastrophic city transfer and the sector-factor lookup ceiling as systematic failure modes. Code and reconstruction recipes are available at GHGbench.
Authors: Wenxin Chen, Weishen Pan, Kyra Gan, Fei Wang
Abstract: Comparative evaluation of multiple dynamic treatment policies is essential for healthcare and policy decisions, yet conventional longitudinal causal inference methods estimate each in isolation, preventing information sharing across counterfactuals. We demonstrate that this separate estimation paradigm induces a structurally uncontrolled second-order bias, inflating finite-sample variance even after standard debiasing with longitudinal targeted maximum likelihood estimation(LTMLE). To address this, we propose a policy-aware reparameterization of Iterative Conditional Expectation (ICE) Q-functions that enables joint estimation through shared representations. We implement this approach in the Policy-Encoded Q Network (PEQ-Net), an architecture centered on a shared policy encoder. The encoder is trained using kernel mean embeddings, ensuring that the learned representation space reflects population-level policy dissimilarities. After applying an LTMLE correction step, we prove this design imposes a structural constraint on the second-order remainder, thereby stabilizing finite-sample variance. Experiments on semi-synthetic datasets demonstrate that PEQ-Net consistently outperforms existing ICE-based methods, achieving substantial reductions in root-mean-square error, particularly when evaluating closely related policies.
Authors: Yan Jiang, Ruihong Qiu, Zi Huang
Abstract: Graph prompt tuning has shown great potential in graph learning by introducing trainable prompts to enhance the model performance in conventional single-domain scenarios. Recent research has extended graph prompts to improve Graph Foundation Models (GFMs) by few-shot tuning auxiliary prompts. Despite their progress, most existing methods embed source-domain information into prompts, which serve either as input to GFMs or encoded during model pre-training. Such prompt entanglement with specific source domains and GFM pre-training strategy restricts their generalisability to other domains and different GFMs. Furthermore, existing GFM prompts merely rely on few-shot tuning for adaptation, neglecting the rich information in unlabelled target domain test data. Motivated by these insights, this paper aims to empower GFMs with pre-training-agnostic test-time graph prompt tuning, named GFMate. GFMate introduces centroid and layer prompts applied after pre-training on target domains, avoiding entanglement with specific source domains and model pre-training. In addition, a test-time complementary learning objective is devised to exploit both labelled and unlabelled target domain data for effective test-time prompt tuning. Extensive experiments on 12 benchmark datasets demonstrate the superior performance and efficiency of GFMate, achieving improvements of up to 30.63%. Code is available at https://github.com/YanJiangJerry/GFMate.
Authors: Fanxu Meng
Abstract: Multi-head Latent Attention (MLA), the attention used in DeepSeek-V2/V3, jointly compresses keys and values into a low-rank latent and matches the H100 roofline almost perfectly. Its trained weights, however, expose only one decoding path - an absorbed MQA form - which ties efficient inference to H100-class compute-bandwidth ratios, forfeits tensor parallelism along the head axis, and yields no Multi-Token Prediction (MTP) gain on commodity inference GPUs such as the export-restricted H20. We propose Group-Query Latent Attention (GQLA), a minimal modification of MLA whose trained weights expose two algebraically equivalent decoding paths over the same parameters: an MQA-absorb path identical to MLA's, and a GQA path with a per-group expanded cache. The runtime picks the path that matches the target hardware - no retraining, no custom kernels - so a single set of GQLA weights pins the rooflines of both H100 (MQA-absorb, s_q=1) and H20 (GQA + MTP, s_q=2), while supporting up to 8-way zero-redundancy tensor parallelism on the GQA path. To avoid pretraining from scratch we extend TransMLA into TransGQLA, which converts a pretrained GQA checkpoint into a GQLA model; on LLaMA-3-8B it compresses the per-token KV cache to 28.125% of the GQA baseline on the MQA-absorb path while structurally preserving GQA-level traffic on the per-group path.
Authors: Shaojun Xu, Xiaoling Zhou, Yihan Lin, Yapeng Meng, Xinglong Ji, Luping Shi, Rong Zhao
Abstract: Model-Based Reinforcement Learning yields sample efficiency via latent imagination, yet remains constrained by Historical Tethering: imagination is typically initialized from observed states. This creates a learning asymmetry, where the world model's manifold discovery outpaces the policy's sparse-reward optimization. We propose Mind Dreamer (MD), a framework that instantiates Active Causal Intervention to transcend Markovian continuity. MD reformulates discovery as the minimization of a global Relay Expected Free Energy. Instead of initializing from historical data, it draws initial states from an adversarial generator $s_0 \sim p_{gen}(\cdot)$, creating non-continuous latent jumps to epistemic blind spots that are physically plausible yet cognitively challenging. We derive Relay Value Function and Relay Uncertainty Function to resolve the credit assignment paradox across these spatial ruptures. Treating synthesized anchors as interventional intermediary states, these potentials propagate pragmatic and epistemic value through Bellman-style backups. Notably, we prove that uncertainty propagation across discontinuities necessitates a quadratic discount $\gamma^2$, establishing a formal epistemic horizon. Theoretically, MD approximates a variance-minimizing importance sampler that expands the manifold's spectral gap, reducing the hitting time to critical bottleneck states. Empirically, MD achieves a 1.67$\times$ average speedup over DreamerV3 on DeepMind Control Suite, reaching 8.8$\times$ in sparse-reward tasks.
Authors: Ligong Han, Kai Xu, Hao Wang, Akash Srivastava
Abstract: Autoregressive language models execute Transformer layers sequentially, creating a latency bottleneck that is not removed by conventional tensor or pipeline parallelism. We study whether this layerwise dependency can be relaxed by treating the hidden-state trace across layers as the solution of a nonlinear residual equation and solving it with parallel Newton-style updates. While this view is principled, exact Newton corrections require expensive Jacobian-vector products and naive fixed-point iterations are unstable on trained Transformers. We introduce Structured Newton Layer Parallelism (SNLP), a training and inference framework that replaces exact layer Jacobians with cheap architecture-induced surrogate dynamics. In residual Transformers, this yields Identity Newton (IDN), where the correction reduces to a prefix-sum-like update; in mHC-style architectures, HC Newton (HCN) uses the model's residual mixing matrix. We also study SNLP-aware training, including pretraining regularization and direct SNLP-forward SFT. Experiments on Nanochat-scale Transformers show that SNLP exposes a practical speed-quality frontier: on 0.5B models, it reaches up to 2.58x wall-clock speedup, and a less aggressive configuration reaches 1.40x speedup without increasing PPL. The useful tradeoff comes from the biased finite-iteration computation induced by IDN/HCN rather than exact recovery of the sequential trace. We further show that SNLP-forward SFT can preserve downstream task accuracy, and that SNLP can serve as a drafter for self-speculative decoding while a sequential verifier preserves output correctness.
Authors: Hongxiang Lin, Zhirui Kuai, Erpeng Xue, Lei Wang
Abstract: Test-time reinforcement learning (TTRL) reports substantial accuracy gains on mathematical reasoning benchmarks using majority vote as a pseudo-label signal. We argue these gains are systematically misinterpreted: most reflect sharpening of already-solvable problems rather than genuine learning, while problems corrupted from correct to incorrect outnumber truly learned ones, and this damage is irreversible once majority vote locks onto a wrong answer. Per-problem tracking reveals that correct-answer signals in low-ability problems are briefly active before being permanently suppressed, a phenomenon we term the \textit{Correct-Answer Extinction Window}, with Flip Rate (FR) as its leading indicator. We thus propose TTRL-Guard, a lightweight framework with three mechanisms targeting the extinction window: Flip-Rate-Aware Reward Scaling (FRS) down-weights at-risk updates as FR declines, Minority-Preserving Sampling (MPS) retains gradient signal from minority correct answers, and Risk-Conditioned Sparse Updatings (RCSU) suspends updates on polarized problems. Experiments across three models and four benchmarks show that TTRL-Guard achieves the best average pass@1 on Qwen2.5-7B-Instruct and Qwen3-4B, improves relatively over TTRL by +54\% on AIME 2025.
Authors: Joschka Gro{\ss}, Mohammad Shaique Solanki, Verena Wolf
Abstract: We introduce B-cos GNNs, an inherently explainable class of graph neural networks whose predictions decompose exactly into per-node, per-feature contributions via a single input-dependent linear map. B-cos GNNs use linear (sum-based) aggregation and replace non-linear message and update functions with B-cos transforms. This induces meaningful, task-specific weight-input alignment that is directly accessible through the model's dynamic linearity. Instance-level explanations follow from a single forward and backward pass, requiring no auxiliary explainer, modified learning objective, or perturbation procedure. Instantiated as a GIN, our approach trades small losses in predictive accuracy for state-of-the-art explainability across diverse synthetic and real-world benchmarks, producing explanations orders of magnitude faster than post-hoc baselines.
Authors: Congwei Song
Abstract: This paper proposes a general machine learning framework called the localization method, which is fundamentally built on two core concepts: localization kernels and local means -- key components that underpin the self-attention mechanism. To establish a rigorous theoretical foundation, the framework is formally defined through two essential pillars: the formulation of the local(-ized) model and the localization trick. We systematically investigate the connections between the localization method and a wide range of existing machine learning models/methods, including (but not limited to) kernel methods, lazy learning, the MeanShift algorithm, relaxation labeling, Hopfield networks, local linear embedding (LLE), fuzzy inference, and denoising autoencoders (DAEs). By dissecting these relationships, we clarify the broader theoretical significance of the localization method and demonstrate its practical applicability across diverse machine learning tasks. Furthermore, we explore advanced extensions of the framework, such as adaptive kernels, hierarchical local models, and non-local models. Notably, we show that the Transformer -- a cornerstone of modern sequence modeling -- can be constructed using hierarchical local models, revealing the ability of the localization method to unify and generalize state-of-the-art architectures. This work not only provides a unified theoretical lens to reinterpret existing models but also offers new methodological tools for designing flexible, data-adaptive learning systems.
Authors: Youngjoon Park
Abstract: Random forests construct each tree with a different, randomised representation of the feature space. Their uniform voting cannot correct errors in regions where trees with incorrect representations probabilistically outnumber correct ones, even when the ensemble collectively holds enough correct information -- a reducible error that this paper addresses. We propose using the structural pattern of each tree's decision path as a per-sample reliability signal to identify and differentially weight the more reliable trees. At inference, a random forest reaches its prediction through the root-to-leaf path the sample traverses in each tree, so path-level reliability offers a finer granularity than tree-level weighting can access. We show that this reliability varies meaningfully across path patterns in the boundary region identified by the forest itself, and that using this signal yields a statistically significant accuracy improvement over RF on 36 binary classification benchmarks (Wilcoxon p < 0.0001). We further devise a way to quantify the reducible error accessible to the method from the fitted RF alone; this estimate correlates strongly with per-dataset gain (Pearson r = +0.840, p < 0.0001), and on the qualifying group it identifies, the method delivers a mean +0.99 pp accuracy improvement with strict wins on every dataset (7/0/0). Class-recall regression -- the typical failure mode of RF correction methods -- is measured: zero minority-recall regressions and a single majority-recall regression at the 0.2 pp threshold, indicating that the correction operates in the direction of bias reduction rather than class trade-off. Our work suggests that the structural information of decision paths, previously overlooked in random forest research, can contribute to RF performance improvement.
Authors: Di He, Songjun Tu, Keyu Wang, Lu Yin, Shiwei Liu
Abstract: Learning rate configuration is a fundamental aspect of modern deep learning. The prevailing practice of applying a uniform learning rate across all layers overlooks the structural heterogeneity of Transformers, potentially limiting their effectiveness as the backbone of Large Language Models (LLMs). In this paper, we introduce Layerwise Learning Rate (LLR), an adaptive scheme that assigns distinct learning rates to individual Transformer layers. Our method is grounded in Heavy-Tailed Self-Regularization (HT-SR) theory, which characterizes the empirical spectral density (ESD) of weight correlation matrices to quantify heavy-tailedness. Layers with weaker heavy-tailedness are assigned larger learning rates to accelerate training, while layers with stronger heavy-tailedness receive smaller learning rates. By tailoring learning rates in this manner, LLR promotes more balanced training across layers, leading to faster convergence and improved generalization. Extensive experiments across architectures ranging from LLaMA to GPT-nano, optimizers including AdamW and Muon, and model scales from 60M to 3B parameters with up to 100B training tokens demonstrate the effectiveness of LLR. LLR achieves up to 1.5x training speedup and consistently outperforms uniform-learning-rate baselines. In particular, it improves the average zero-shot accuracy of 1B models from 47.09% to 49.02%, and that of 3B models from 48.58% to 50.61%. A key advantage of LLR is its low tuning overhead: it can transfer nearly optimal learning-rate settings directly from the uniform baseline. Code is available at https://github.com/hed-ucas/Layer-wise-Learning-Rate.
Authors: Joss Armstrong
Abstract: Foundation model agents increasingly operate in multi-agent deployments where a coordinator must decide which agent's response to trust. The standard approach weights agents by their self-reported confidence, but recent evidence shows that foundation model confidence is systematically miscalibrated and, on hard tasks, inversely correlated with accuracy. Design-time calibration methods (temperature scaling, Platt scaling, histogram binning) cannot address this problem because they fit a fixed correction to held-out data and degrade under distribution shift. We present MARGIN (Multi-Agent Runtime Grading via Incremental Normalisation), an online calibration method that learns per-agent, per-confidence-band calibration factors from the task stream itself, requiring no model access, no held-out data, and no retraining. MARGIN uses symmetric exponentially weighted moving averages with Bayesian shrinkage blending, and has three hyperparameters with robust defaults. Across 18 foundation models, 8 benchmarks, and over 44,000 observations, MARGIN achieves 3-6x lower calibration error than the best design-time baseline under distribution shift. In multi-agent selection, raw verbalized confidence fails to beat random at pairwise resolution (43-50%) on hard benchmarks. MARGIN corrects this completely, raising pairwise resolution to 70-89% and closing 37-78% of the Raw-to-Oracle pass@1 gap across the five code-generation benchmarks without any oracle knowledge of which model is strongest. Six formal propositions characterize convergence, tracking speed, and the optimality of symmetric updates for non-strategic agents, with all predictions illustrated empirically.
Authors: Xiaofeng Lin, Han Bao, Hisashi Kashima
Abstract: Estimating individual treatment effect (ITE) from observational graph data is crucial for decision-making in the fields such as commerce and medicine. This task is challenging due to interference, where individual outcomes can be influenced by the treatments and covariates of their neighbors. Existing methods attempt to model such interference for accurate ITE estimation. However, a critical issue is often overlooked: differentiated networked effect (DNE), an effect caused by local networks consisting of neighbors with varying importance and scales. Capturing DNE is vital; otherwise, we will end up with imprecise ITE estimation due to an erroneous characterization of interference, which can result in misguided decisions. To address this challenge, we propose a novel interference modeling mechanism that incorporates two partial attention mechanisms and a message amplifier. The partial attention mechanisms automatically estimate the importance of different neighbors in contributing to interference, while the message amplifier adjusts the results of the interference modeling mechanism based on the scale of neighbors, all of which enables the model to capture DNE. Experiments on three real-world graphs demonstrate that our methods outperform existing approaches for ITE estimation from graph data, which corroborates the importance of explicitly capturing DNE.
Authors: Yuki Nakamura
Abstract: We audit alignment-induced shifts in residual-stream activations of three open-weight instruction-tuned LLMs (Llama-3.1-8B-Instruct, Gemma-2-9B-it, Qwen-2.5-7B-Instruct) using the effective rank of the alignment modification matrix on safety-relevant inputs, rho_eps := rank_eps(M_Ds)/d, which formalizes the single-refusal-direction observation of Arditi et al. (2024) as a continuous quantity. The paper has three contributions. (1) Confound-controlled measurement: a four-variant decomposition (M_naive, M_template, M_aligned, M_DiD) separates chat-template formatting, alignment-stage shift, and the refusal-mediating direction, and recovers the Arditi refusal direction on M_DiD at |cos| in {0.77, 0.86, 0.50} (Llama/Gemma/Qwen); chat-template-controlled rho_eps is {0.0029, 0.0048, 0.0044}, and the centered SVD residual is 4-7x larger. (2) Constructive calibration on a 3-layer MLP across rho_eps in {0.008, 0.17, 0.33, 0.40} exhibits a sweet-spot vs. brittle distinction: mild rank-maximization (lambda=5) buys ablation robustness, while strong regularization at the same nominal rho_eps (lambda=50) does not. rho_eps is a diagnostic for fragility, not a target whose mechanical inflation buys robustness. (3) Limits of rank-based diagnostics: (a) not safety-specific (LRH baseline is 2-3x the safety value); (b) SVD principal ordering does not match causal ordering (Llama u_2 inert despite ranking second; cumulative ablation non-monotone at k=5); (c) the spectral-gap hypothesis required to upgrade the O(rho_eps * d) achievability bound to a matching Mirsky-route lower bound fails empirically (1/90 Llama layer-reference pairs, 0/36 MLP combinations) and structurally (kappa_lb <= 2/(eps * r)). The matching lower bound remains an open problem.
Authors: Ryo Mitsuhashi, Patrick Chen, Isabelle Tseng, Jasin Cekinmez, Addison J. Wu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a standard paradigm for post-training language models, but in practice, verifiers are rarely perfect. Recent theoretical work predicts that verifier noise affects the rate of learning but not its final outcome, implying that sufficient compute should close any gap induced by imperfect supervision. We test this prediction empirically by post-training Qwen2.5 (0.5B, 1.5B) with GRPO on GSM8K while injecting controlled false-positive and false-negative noise into the binary correctness signal, and varying rollouts per prompt as a compute axis. In practice, the gap in validation accuracy persists under substantial compute scaling, with returns to compute that are sharply diminishing. We further find a structural asymmetry where false negatives monotonically degrade performance more quickly than false positives. These findings suggest verifier quality and training compute are not interchangeable, and that reducing false negatives is a more effective lever than scaling compute alone.
Authors: Maoyang Xiang, Bo Wang, Tao Luo
Abstract: The deployment of Large Language Models (LLMs) and Vision Transformers (ViTs) on edge devices is significantly constrained by memory limitations and the critical timing bottlenecks introduced by dense Multiply-Accumulate (MAC) arrays. In the ultra-low bit regime, logarithmic Power-of-Two (PoT) quantization provides a hardware-efficient alternative by replacing MAC operations with bit-shifts. However, the non-uniform exponential lattice is inherently limited by a \textbf{Low Angular Resolution Regime}, a structural flaw that becomes particularly pronounced at sub-4-bit thresholds, leading to a notable degradation of high-dimensional feature manifolds. To address this geometric limitation, we propose Geometric Orthogonal Residual Projection Quantization (GoQuant), an algorithm-hardware co-design framework. By formulating quantization as a dual-basis geometric projection, GoQuant adaptively synthesizes a higher-resolution residual lattice using strictly shift-and-add operations. Furthermore, its analytical solver offers a practical alternative to computationally intensive gradient-based optimization, reducing the full-model calibration time for LLaMA-2-7B to approximately 15 minutes. Extensive evaluations demonstrate GoQuant's applicability across modalities and its hardware efficiency. Under the 3-bit (W3/A16) constraint, it achieves a perplexity of 6.10 on LLaMA-2-7B, comparing favorably to conventional MAC-intensive baselines like AWQ without relying on asymmetric scaling, while maintaining competitive accuracy in 4-bit scenarios. At the silicon level, standard-cell RTL synthesis at a 28nm node indicates that GoQuant effectively mitigates the timing bottlenecks associated with dense multiplier trees. By flattening the combinational logic depth, our parallel shift-and-add datapath reduces the critical path delay to 0.35 ns.
Authors: Yingying Cheng, Jinquan Shi, Li Zhou, Zhiyang He, Zhaoyi Sun, Fan Zhang, Jie Sun
Abstract: Quantization-aware training (QAT) with low-bit floating-point formats enables efficient LLM deployment, yet introduces subtle failure modes invisible to standard training metrics. We present a systematic study of HiF8 W8A8 QAT for OpenPangu-Embedded-1B through the lens of Delayed Tensor Scaling (DTS). Across eight controlled experiments, we identify and disentangle two orthogonal failure modes: (i)amax saturation, where delayed scale estimates silently corrupt knowledge-sensitive representations via forward-pass clipping, and (ii)catastrophic forgetting, where an aggressive learning rate overwrites pretrained commonsense knowledge independently of quantization. Neither is detectable from training loss alone. We address amax saturation with a conservative max-algorithm DTS strategy over a 64-step history window, and mitigate forgetting via a 500-step BF16 warmup followed by QAT at lr=10^{-5}. Both fixes are necessary and sufficient: our final configuration achieves 0.43% MMLU drop, 0.58% HellaSwag drop, and 0.22% ARC-Challenge drop versus a matched BF16 baseline, with a training loss APE of only 0.11% over 10,000 steps.
Authors: Raymond Chua, Doina Precup, Blake Richards
Abstract: A hallmark of intelligence is the ability to adapt in non-stationary environments, yet deep Reinforcement Learning (RL) agents often struggle in such settings. Prior studies introduce non-stationarity through abrupt shifts in features or dynamics, whereas real-world environments often evolve gradually through continual drift. This distinction has important implications for the "stability-plasticity dilemma" in RL, as abrupt task changes may demand more plasticity than naturalistic settings. To address this, we modify existing 3D Miniworld and MuJoCo environments to incorporate naturalistic, continual non-stationarity, and use them to examine how stability and adaptation affect performance under continuous environmental change. We find that methods favoring stability, such as synaptic consolidation, outperform approaches focused on plasticity, such as parameters resetting. Motivated by this result, and prior evidence that Successor Features (SFs) reduce interference, we investigate whether SFs are better consolidation targets than Q-values. Across both environments, applying neuro-inspired synaptic consolidation to SFs yields superior performance on continually changing settings. Moreover, consolidation is most effective when SFs are stabilized across multiple timescales, which capture complementary aspects of gradual environmental change. Together, these results suggest that stability is more critical in continual learning when changes are gradual, and that multi-timescale consolidation of predictive representations is an effective approach.
Authors: Jaewoo Lee, Hyeongyu Kang, Dohyun Kim, Kyuil Sim, Woocheol Shin, Minsu Kim, Taeyoung Yun, Jeongjae Lee, Sanghyeok Choi, Tabitha Edith Lee, Jong Chul Ye, Jinkyoo Park
Abstract: Aligning a few-step generative model is challenging, since existing alignment frameworks typically rely on restrictive assumptions: a tractable likelihood, a specific ODE/SDE solver, or a particular model family. We introduce FAV, Few-step Generative Models Alignment via Sample-based Variational Inference, a general alignment framework that requires only sample access to the generator and the reference distribution. We cast alignment as sampling from a reward-tilted distribution anchored to a reference distribution. We leverage Stein Variational Gradient Descent as a sample-based variational inference scheme and amortize its particle updates into the generator parameters via fixed-point regression. We evaluate FAV on two domains: robotics manipulation and image generator alignment. On generative policy alignment for robotic manipulation, FAV outperforms prevailing policy extraction baselines across 56 offline and 30 offline-to-online RL tasks. For image generator alignment, FAV fine-tunes diverse few-step backbones, including GAN, drifting model, consistency models, and flow maps, scaling from ImageNet-$256$ to 1024$^2$ text-to-image synthesis. Code is available at https://github.com/Jaewoopudding/FAV.
Authors: Zhong Zhang, Giacomo Acciarini, Dario Izzo, Hexi Baoyin, Francesco Topputo
Abstract: Low-thrust trajectory design relies heavily on repeated evaluations of fuel consumption and transfer feasibility, which require expensive optimal control solutions. In this work, we show these quantities can be accurately approximated by machine learning surrogates, enabling fast and scalable evaluation across a wide range of scenarios. By increasing both dataset size and model capacity, we observe that low-thrust trajectory optimization follows a scaling law, with performance improving linearly with the logarithm of training data and network parameters, and no evidence of saturation within the explored regime. Guided by this observation, we construct a large-scale dataset using the proposed homotopy-ray strategy tailored to mission design requirements. A key is the introduction of a self-similar transformation, which allows generalization across semi-major axes, inclinations, and central bodies avoiding retraining. As a result, the same neural approximator can be applied to diverse orbital environments and mission classes. The proposed models accurately predict optimal fuel consumption and minimum transfer time for single- and multi-revolution transfers. Their performance and generalization are demonstrated on a public dataset, a multi-asteroid flyby problem from the Global Trajectory Optimization Competition, and an asteroid rendezvous mission design. The models and datasets are released as open-source to support the space community.
Authors: Qin Lu, Konstantinos D. Polyzos, Bingcong Li, Georgios B. Giannakis
Abstract: Bayesian optimization (BO) has well-documented merits for optimizing black-box functions with an expensive evaluation cost. Such functions emerge in applications as diverse as hyperparameter tuning, drug discovery, and robotics. BO hinges on a Bayesian surrogate model to sequentially select query points so as to balance exploration with exploitation of the search space. Most existing works rely on a single Gaussian process (GP) based surrogate model, where the kernel function form is typically preselected using domain knowledge. To bypass such a design process, this paper leverages an ensemble (E) of GPs to adaptively select the surrogate model fit on-the-fly, yielding a GP mixture posterior with enhanced expressiveness for the sought function. Acquisition of the next evaluation input using this EGP-based function posterior is then enabled by Thompson sampling (TS) that requires no additional design parameters. To endow function sampling with scalability, random feature-based kernel approximation is leveraged per GP model. The novel EGP-TS readily accommodates parallel operation. To further establish convergence of the proposed EGP-TS to the global optimum, analysis is conducted based on the notion of Bayesian regret for both sequential and parallel settings. Tests on synthetic functions and real-world applications showcase the merits of the proposed method.
Authors: Alan F. Karr, Zac Bowen, Adam A. Porter, Regina Ruane
Abstract: For a Bayes classifier whose input space is a graph, we study the structure of the boundary, which comprises those points for which at least one neighbor is classified differently. The scientific setting is assignment of DNA reads produced by next generations sequencers to candidate source genomes. We show that the boundary is both large and complicated in structure. A new measure of uncertainty, Neighbor Similarity, which compares the classifier result for an input point to the distribution of results for its neighbors, not only tracks two inherent uncertainty measures for the Bayes classifier, but also can be implemented for classifiers without inherent measures of uncertainty.
Authors: Tom Gunter, Zirui Wang, Chong Wang, Ruoming Pang, Andy Narayanan, Aonan Zhang, Bowen Zhang, Chen Chen, Chung-Cheng Chiu, David Qiu, Deepak Gopinath, Dian Ang Yap, Dong Yin, Feng Nan, Floris Weers, Guoli Yin, Haoshuo Huang, Jianyu Wang, Jiarui Lu, John Peebles, Ke Ye, Mark Lee, Nan Du, Qibin Chen, Quentin Keunebroek, Sam Wiseman, Syd Evans, Tao Lei, Vivek Rathod, Xiang Kong, Xianzhi Du, Yanghao Li, Yongqiang Wang, Yuan Gao, Zaid Ahmed, Zhaoyang Xu, Zhiyun Lu, Al Rashid, Albin Madappally Jose, Alec Doane, Alfredo Bencomo, Allison Vanderby, Andrew Hansen, Ankur Jain, Anupama Mann Anupama, Areeba Kamal, Bugu Wu, Carolina Brum, Charlie Maalouf, Chinguun Erdenebileg, Chris Dulhanty, Daniel Parilla, Dominik Moritz, Doug Kang, Eduardo Jimenez, Evan Ladd, Fangping Shi, Felix Bai, Frank Chu, Fred Hohman, Hadas Kotek, Hannah Gillis Coleman, Jane Li, Jeffrey Bigham, Jeffery Cao, Jeff Lai, Jessica Cheung, Jiulong Shan, Joe Zhou, John Li, Jun Qin, Karanjeet Singh, Karla Vega, Kelvin Zou, Laura Heckman, Lauren Gardiner, Margit Bowler, Maria Cordell, Meng Cao, Nicole Hay, Nilesh Shahdadpuri, Otto Godwin, Pranay Dighe, Pushyami Rachapudi, Ramsey Tantawi, Roman Frigg, Sam Davarnia, Sanskruti Shah, Saptarshi Guha, Sasha Sirovica, Shen Ma, Shuang Ma, Simon Wang, Sulgi Kim, Suma Jayaram, Vaishaal Shankar, Varsha Paidi, Vivek Kumar, Xin Wang, Xin Zheng, Walker Cheng, Yael Shrager, Yang Ye, Yasu Tanaka, Yihao Guo, Yunsong Meng, Zhao Tang Luo, Zhi Ouyang, Alp Aygar, Alvin Wan, Andrew Walkingshaw, Andy Narayanan, Antonie Lin, Arsalan Farooq, Brent Ramerth, Colorado Reed, Chris Bartels, Chris Chaney, David Riazati, Eric Liang Yang, Erin Feldman, Gabriel Hochstrasser, Guillaume Seguin, Irina Belousova, Joris Pelemans, Karen Yang, Keivan Alizadeh Vahid, Liangliang Cao, Mahyar Najibi, Marco Zuliani, Max Horton, Minsik Cho, Nikhil Bhendawade, Patrick Dong, Piotr Maj, Pulkit Agrawal, Qi Shan, Qichen Fu, Regan Poston, Sam Xu, Shuangning Liu, Sushma Rao, Tashweena Heeramun, Thomas Merth, Uday Rayala, Victor Cui, Vivek Rangarajan Sridhar, Wencong Zhang, Wenqi Zhang, Wentao Wu, Xingyu Zhou, Xinwen Liu, Yang Zhao, Yin Xia, Zhile Ren, Zhongzheng Ren
Abstract: We present foundation language models developed to power Apple Intelligence features, including a ~3 billion parameter model designed to run efficiently on devices and a large server-based language model designed for Private Cloud Compute. These models are designed to perform a wide range of tasks efficiently, accurately, and responsibly. This report describes the model architecture, the data used to train the model, the training process, how the models are optimized for inference, and the evaluation results. We highlight our focus on Responsible AI and how the principles are applied throughout the model development.
Authors: Dan Kalifa, Uriel Singer, Kira Radinsky
Abstract: Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in utilizing machine learning and deep learning techniques for unsupervised learning of protein representations. However, these approaches often focus solely on the amino acid sequence of proteins and lack factual knowledge about proteins and their interactions, thus limiting their performance. In this study, we present GOProteinGNN, a novel architecture that enhances protein language models by integrating protein knowledge graph information during the creation of amino acid level representations. Our approach allows for the integration of information at both the individual amino acid level and the entire protein level, enabling a comprehensive and effective learning process through graph-based learning. By doing so, we can capture complex relationships and dependencies between proteins and their functional annotations, resulting in more robust and contextually enriched protein representations. Unlike previous methods, GOProteinGNN uniquely learns the entire protein knowledge graph during training, which allows it to capture broader relational nuances and dependencies beyond mere triplets as done in previous work. We perform a comprehensive evaluation on several downstream tasks demonstrating that GOProteinGNN consistently outperforms previous methods, showcasing its effectiveness and establishing it as a state-of-the-art solution for protein representation learning.
Authors: Kam\'elia Daudel, Fran\c{c}ois Roueff
Abstract: Several variational bounds involving importance weighting ideas generalize the Evidence Lower BOund (ELBO) for marginal likelihood optimization, such as the Importance-weighted Auto-Encoder (IWAE), Variational R\'enyi (VR) and VR-IWAE bounds. Yet, it remains unclear how the joint choice of bound and gradient estimator impacts the behavior of the resulting variational inference (VI) algorithms. This paper provides a unified theoretical comparison of reparameterized (REP) and doubly-reparameterized (DREP) gradient estimators tied to the IWAE, VR and VR-IWAE bounds. Through asymptotic analyses of the Signal-to-Noise Ratio as the number of Monter Carlo samples $N$ goes to infinity, we identify a bias-variance tradeoff in these gradient estimators and we formally justify the superiority of DREP over REP in importance-weighted VI. An additional asymptotic analysis for challenging regimes, where both $N$ and the Kullback-Leibler divergence between the variational and posterior densities go to infinity, indicates that importance-weighted VI gradient estimators point in a well-founded direction even when the variational approximation deteriorates. Together, these complementary results characterize the optimization trajectory in importance-weighted VI from poor initialization to final convergence. Importantly, our proof techniques establish general theoretical tools for the study of sample means ratios whose scope extend beyond VI and constitute an independent contribution to the field of Monte Carlo methods.
Authors: Guillaume Principato, Gilles Stoltz, Yvenn Amara-Ouali, Yannig Goude, Bachir Hamrouche, Jean-Michel Poggi
Abstract: We consider conformal prediction for multivariate data and focus on hierarchical data, where some components are linear combinations of others. Intuitively, the hierarchical structure can be leveraged to reduce the size of prediction regions for the same coverage level. We implement this intuition by including a projection step (also called a reconciliation step) in the split conformal prediction [SCP] procedure, and prove that the resulting prediction regions are indeed globally smaller. We do so both under the classic objective of joint coverage and under a new and challenging task: component-wise coverage, for which efficiency results are more difficult to obtain. The associated strategies and their analyses are based both on the literature of SCP and of forecast reconciliation, which we connect. We also illustrate the theoretical findings, for different scales of hierarchies on simulated data.
Authors: Samson Koelle, Marina Meila
Abstract: Isometry pursuit is a convex algorithm for identifying orthonormal column-submatrices of wide matrices. It consists of a novel normalization method followed by multitask basis pursuit. Applied to Jacobians of putative coordinate functions, it helps identity isometric embeddings from within interpretable dictionaries. We provide theoretical and experimental results justifying this method. For problems involving coordinate selection and diversification, it offers a synergistic alternative to greedy and brute force search.
Authors: Guanxu Chen, Jing Shao, Tao Luo, Lijie Hu, Qihao Lin, Dongrui Liu
Abstract: Large language models (LLMs) are becoming increasingly capable, but the mechanisms of their thinking and decision-making processes remain unclear. Chain-of-thoughts (CoTs) have been commonly utilized to externalize LLMs' thinking, but this strategy fails to accurately reflect LLMs' thinking process. Techniques based on LLMs' hidden representations provide an inner perspective to improve the monitorability of their latent thinking. However, previous methods only try to develop external modules instead of making LLMs themselves easier to monitor. In this paper, we propose a novel method, TELLME, improving the transparency of LLMs and helping monitors identify unsuitable and sensitive behaviors. Furthermore, we showcase the effectiveness of TELLME on detoxification tasks, where LLMs achieve consistent improvement among multimodal test sets, distinct architectures, and varying parameter scales. We further analyze TELLME's improvement on LLMs' generalization ability from both optimal transport theory and empirical perspectives.
Authors: Randolph W. Linderman (Electrical and Computer Engineering Department, Duke University, Durham, NC, USA), Noah Cowan (Statistics Department, Stanford University, Stanford, CA, USA), Yiran Chen (Electrical and Computer Engineering Department, Duke University, Durham, NC, USA), Scott W. Linderman (Statistics Department, Stanford University, Stanford, CA, USA, The Wu Tsai Neurosciences Institute, Stanford University, Stanford, CA, USA)
Abstract: Bayesian nonparametric methods are naturally suited to the problem of out-of-distribution (OOD) detection. However, these techniques have largely been eschewed in favor of simpler methods based on distances between pre-trained or learned embeddings of data points. Here we show a formal relationship between Bayesian nonparametric models and the relative Mahalanobis distance score (RMDS), a commonly used method for OOD detection. Building on this connection, we propose Bayesian nonparametric mixture models with hierarchical priors that generalize the RMDS. We evaluate these models on the OpenOOD detection benchmark and show that Bayesian nonparametric methods can improve upon existing OOD methods, especially in regimes where training classes differ in their covariance structure and where there are relatively few data points per class.
Authors: Nimet Beyza Bozdag, Shuhaib Mehri, Gokhan Tur, Dilek Hakkani-T\"ur
Abstract: Large Language Models (LLMs) demonstrate persuasive capabilities that rival human-level persuasion. While these capabilities can be used for social good, they also present risks of potential misuse. Beyond the concern of how LLMs persuade others, their own susceptibility to persuasion poses a critical alignment challenge, raising questions about robustness, safety, and adherence to ethical principles. To study these dynamics, we introduce Persuade Me If You Can (PMIYC), an automated framework for evaluating persuasiveness and susceptibility to persuasion in multi-agent interactions. Our framework offers a scalable alternative to the costly and time-intensive human annotation process typically used to study persuasion in LLMs. PMIYC automatically conducts multi-turn conversations between Persuader and Persuadee agents, measuring both the effectiveness of and susceptibility to persuasion. Our comprehensive evaluation spans a diverse set of LLMs and persuasion settings (e.g., subjective and misinformation scenarios). We validate the efficacy of our framework through human evaluations and demonstrate alignment with human assessments from prior studies. Through PMIYC, we find that Llama-3.3-70B and GPT-4o exhibit similar persuasive effectiveness, outperforming Claude 3 Haiku by 30%. However, GPT-4o demonstrates over 50% greater resistance to persuasion for misinformation compared to Llama-3.3-70B. Notably, o4-mini emerges as both an effective persuader, and a resistant persuadee. These findings provide empirical insights into the persuasive dynamics of LLMs and contribute to the development of safer AI systems.
Authors: Chi-Chih Chang, Wei-Cheng Lin, Chien-Yu Lin, Hung-Yueh Chiang, Yash Akhauri, Xilai Dai, Huiqiang Jiang, Yucheng Li, Luis Ceze, Kai-Chiang Wu, Mohamed S. Abdelfattah
Abstract: Long-context Large Language Models (LLMs) enable powerful applications but incur high memory costs due to the key-value states (KV-Cache). Recent studies attempt to share KV-Cache across layers, but these approaches either require expensive pretraining or rely on per-token cross-layer cosine similarity that is often limited in practice. We show, via Centered Kernel Alignment (CKA), that the dominant singular vectors of KV-Cache are well aligned across layers. Motivated by this observation, we propose xKV, a post-training compression method that jointly factorizes grouped-layer KV-Cache into a shared low-rank subspace, substantially reducing KV-Cache memory. Across widely used LLMs, xKV achieves up to 8x KV-Cache compression while preserving accuracy on long-context tasks and in multi-turn settings. To further improve efficiency, we introduce Selective Reconstruction (SR) at decode time. Combined with SR, xKV achieves up to 4.23x end-to-end speedup over the full attention baseline, and surpasses notable baselines with 30% higher throughput under a similar accuracy level. Overall, xKV provides a plug-and-play approach to reduce both memory and latency for long-context LLM inference. Our code is publicly available at: https://github.com/abdelfattah-lab/xKV.
Authors: Ivan Bioli, Carlo Marcati, Giancarlo Sangalli
Abstract: Natural Gradient Descent (NGD) has emerged as a promising optimization algorithm for training neural network-based solvers for partial differential equations (PDEs), such as Physics-Informed Neural Networks (PINNs). However, its practical use is often limited by the high computational cost of solving linear systems involving the Gramian matrix. While matrix-free NGD methods based on the conjugate gradient (CG) method avoid explicit matrix inversion, the ill-conditioning of the Gramian significantly slows the convergence of CG. In this work, we extend matrix-free NGD to broader classes of problems than previously considered and propose the use of Randomized Numerical Linear Algebra (RandNLA) techniques for efficient preconditioning of the inner CG solver. The resulting algorithm demonstrates substantial performance improvements over existing NGD-based methods and other state-of-the-art optimizers on a range of PDE problems discretized using neural networks.
Authors: Gerasimos Chatzoudis, Zhuowei Li, Gemma E. Moran, Hao Wang, Dimitris N. Metaxas
Abstract: Sparse Autoencoders (SAEs) are increasingly used to interpret foundation models, but their role as an actionable intervention space remains less understood, especially in vision. We study whether sparse visual features can be used not only for post-hoc analysis, but also to steer frozen vision-language models. We introduce Visual Sparse Steering (VS2), a label-free method that trains a top-$k$ SAE on unlabeled activations from a frozen CLIP image encoder and, at test time, constructs an interpretable steering vector by amplifying the input's active sparse features and decoding the induced change. We show that this procedure admits a closed-form decomposition as centroid-deviation steering: each input is moved along its deviation from the SAE-learned centroid. The residual term is controlled exactly by the SAE's per-sample reconstruction error, measured by FVU, yielding an FVU-based residual bound and motivating a reliability gate that falls back to zero-shot CLIP when SAE reconstruction is unreliable. With target-domain SAEs trained on unlabeled CLIP image-encoder activations, VS2 improves zero-shot accuracy across nine image-classification datasets, achieving gains up to $+4.12\%$ with less than $0.1\%$ additional inference compute. Finally, a controlled upper-bound study, VS2++, shows that selective amplification of sparse features can yield gains up to $+21.44\%$, exposing a reconstruction-vs-task saliency gap: features salient for reconstruction need not align with features useful for downstream prediction.
Authors: Duc Toan Nguyen, Trang H. Tran, Lam M. Nguyen
Abstract: In this paper, we propose Adjusted Shuffling SARAH, a novel algorithm that integrates shuffling strategies into the recursive SARAH framework using a dynamic weighting mechanism to enhance exploration. We analyze the algorithm under two operating modes. First, we show that the Exact Mode matches the best-known theoretical guarantees for shuffling variance-reduced methods in both strongly convex and non-convex settings. Second, to address large-scale regimes, we introduce an Inexact Mode that utilizes mini-batch estimators. A key contribution of our work is proving that this Inexact Mode achieves a total complexity independent of the dataset size, making it significantly more scalable than existing shuffling methods when the sample size is large.
Authors: Yu Zhang, Xi Zhang, Hualin Zhou, Xinyuan Chen, Shang Gao, Hong Jia, Jianfei Yang, Yuankai Qi, Tao Gu
Abstract: Deep learning for human sensing on edge systems presents significant potential for smart applications. However, its training and development are hindered by the limited availability of sensor data and resource constraints of edge systems. While transferring pre-trained models to different sensing applications is promising, existing methods often require extensive sensor data and computational resources, resulting in high costs and limited transferability. In this paper, we propose XTransfer, a first-of-its-kind method enabling modality-agnostic, few-shot model transfer with resource-efficient design. XTransfer flexibly uses pre-trained models and transfers knowledge across different modalities by (i) model repairing that safely mitigates modality shift by adapting pre-trained layers with only few sensor data, and (ii) layer recombining that efficiently searches and recombines layers of interest from source models in a layer-wise manner to restructure models. We benchmark various baselines across diverse human sensing datasets spanning different modalities. The results show that XTransfer achieves state-of-the-art performance while significantly reducing the costs of sensor data collection, model training, and edge deployment.
Authors: Yahan Yu, Yuyang Dong, Masafumi Oyamada
Abstract: Reasoning is essential for large language models (LLMs), especially in complex tasks such as mathematical problem solving. However, multimodal reasoning still faces challenges in modality alignment and training scalability, as many existing methods rely on additional annotations or complex rule-based rewards. To address these issues, we propose the Deliberate-to-Intuitive reasoning framework (D2I), which improves the understanding and reasoning abilities of multimodal LLMs (MLLMs) without extra annotations or complex rewards. During training, D2I uses deliberate reasoning strategies supervised only by rule-based format rewards to enhance modality alignment. During inference, it shifts to intuitive reasoning by removing these explicit strategies, allowing the model to implicitly apply the acquired abilities in its responses. D2I outperforms baselines on both in-domain and out-of-domain benchmarks, highlighting the effectiveness of format rewards in fostering transferable multimodal reasoning skills and suggesting the benefit of decoupling training-time reasoning depth from test-time response flexibility.
Authors: Clement Ruah, Houssem Sifaou, Osvaldo Simeone, Bashir M. Al-Hashimi
Abstract: Training effective artificial intelligence models for telecommunications is challenging due to the scarcity of deployment-specific data. Real data collection is expensive, and available datasets often fail to capture the unique operational conditions and contextual variability of the network environment. Digital twinning provides a potential solution to this problem, as simulators tailored to the current network deployment can generate site-specific data to augment the available training datasets. However, there is a need to develop solutions to bridge the inherent simulation-to-reality (sim-to-real) gap between synthetic and real-world data. This paper reviews recent advances on two complementary strategies: 1) the calibration of digital twins (DTs) through real-world measurements, and 2) the use of sim-to-real gap-aware training strategies to robustly handle residual discrepancies between digital twin-generated and real data. For the latter, we evaluate two conceptually distinct methods that model the sim-to-real gap either at the level of the environment via Bayesian learning or at the level of the training loss via prediction-powered inference.
Authors: Hao Chen, Lin Liu, Yu Guang Wang
Abstract: Causal representation learning (CRL) has garnered increasing interest from the causal inference and artificial intelligence communities due to its potential to disentangle complex data-generating mechanism into causally interpretable latent features by leveraging the heterogeneity of modern datasets. In this paper, we further contribute to the CRL literature, by focusing on the stylized linear structural causal model over latent features and assuming a linear mixing function that maps latent features to the observed data or measurements. Existing linear CRL methods often rely on stringent assumptions, such as access to single-node interventional data or restrictive distributional constraints on latent features and/or exogenous measurement noise. However, these prerequisites can be easy to violate in practice. In this work, we propose a novel linear CRL algorithm that, unlike existing methods, operates under weaker assumptions on environment heterogeneity and data-generating distributions while still recovering latent causal features up to an equivalence class. We further validate our new algorithm via synthetic experiments and an interpretability analysis of large language models, demonstrating both its superiority over competing methods in finite samples and its potential in integrating causality into understanding artificial intelligence. The source code is available at https://github.com/utulie/code_for_linear_crl_paper_creator.
URLs: https://github.com/utulie/code_for_linear_crl_paper_creator.
Authors: Yash Akhauri, Xingyou Song, Arissa Wongpanich, Bryan Lewandowski, Mohamed S. Abdelfattah
Abstract: We study code-to-metric regression: predicting numeric outcomes of code executions, a challenging task due to the open-ended nature of programming languages. While prior methods have resorted to heavy and domain-specific feature engineering, we show that a single unified Regression Language Model (RLM) using a frozen LLM encoder can simultaneously predict directly from text, (i) the memory footprint of code across multiple high-level languages such as Python and C++, (ii) the latency of Triton GPU kernels, and (iii) the accuracy and speed of trained neural networks represented in ONNX. In particular, a relatively small 300M parameter RLM based on T5Gemma, obtains $>$0.9 Spearman-rank on competitive programming submissions from APPS, and a single unified model achieves $>$0.5 average Spearman-rank across 17 separate languages from CodeNet. Furthermore, the RLM can obtain the highest average Kendall-Tau of 0.46 on five classic NAS design spaces previously dominated by graph neural networks, and simultaneously predict architecture latencies on numerous hardware platforms.
Authors: Nicol\`o Dal Fabbro, Milad Mesbahi, Renato Mendes, Jo\~ao Borges de Sousa, George J. Pappas
Abstract: We study the problem of long-term (multiple days) mapping of a river plume using multiple autonomous underwater vehicles (AUVs), focusing on the Douro river representative use-case. We propose an energy - and communication - efficient multi-agent reinforcement learning approach in which a central coordinator intermittently communicates with the AUVs, collecting measurements and issuing commands. Our approach integrates spatiotemporal Gaussian process regression (GPR) with a multi-head Q-network controller that regulates direction and speed for each AUV. Simulations using the Delft3D ocean model demonstrate that our method consistently outperforms both single- and multi-agent benchmarks, with scaling the number of agents both improving mean squared error (MSE) and operational endurance. In some instances, our algorithm demonstrates that doubling the number of AUVs can more than double endurance while maintaining or improving accuracy, underscoring the benefits of multi-agent coordination. Our learned policies generalize across unseen seasonal regimes over different months and years, demonstrating promise for future developments of data-driven long-term monitoring of dynamic plume environments.
Authors: Marlon M\"uller, Florian Finkeldei, Hanna Krasowski, Murat Arcak, Matthias Althoff
Abstract: Compliance with maritime traffic rules is essential for the safe operation of autonomous vessels, yet training reinforcement learning (RL) agents to adhere to them is challenging. The behavior of RL agents is shaped by the training scenarios they encounter, but creating scenarios that capture the complexity of maritime navigation is non-trivial, and real-world data alone is insufficient. To address this, we propose a falsification-driven RL approach that generates adversarial training scenarios in which the vessel under test violates maritime traffic rules, which are expressed as signal temporal logic specifications. Our experiments on open-sea navigation with two vessels demonstrate that the proposed approach provides more relevant training scenarios and achieves more consistent rule compliance.
Authors: M. S. Hossain (Center for Computational and Data Sciences, Independent University, Bangladesh), M. S. H. Shahal (Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh), K. M. B. Asad (Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh, Department of Physical Sciences, Independent University, Bangladesh), P. Saikia (Department of Astronomy and Physics, Yale University, USA), A. Khan (Center for Computational and Data Sciences, Independent University, Bangladesh), F. Akter (Department of Agricultural and Biosystems Engineering, North Dakota State University, USA), A. Ali (Center for Computational and Data Sciences, Independent University, Bangladesh, Department of Computer Science and Engineering, Independent University, Bangladesh), M. A. Amin (Center for Computational and Data Sciences, Independent University, Bangladesh, Department of Computer Science and Engineering, Independent University, Bangladesh), D. P. Guha (Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh), M. O. B. Jihad (Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh), A. Momen (Center for Computational and Data Sciences, Independent University, Bangladesh, Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh, Department of Physical Sciences, Independent University, Bangladesh), S. Sen (Center for Astronomy, Space Science and Astrophysics, Independent University, Bangladesh), A. K. M. M. Rahman (Center for Computational and Data Sciences, Independent University, Bangladesh, Department of Computer Science and Engineering, Independent University, Bangladesh)
Abstract: Bent radio active galactic nuclei (RAGNs) -- wide-angle tails (WATs) and narrow-angle tails (NATs) -- trace dense environments in galaxy groups and clusters, yet no multiclass classifier simultaneously separates them from straight Fanaroff--Riley types (sFRI, sFRII) using visually inspected labels and unlabelled data. We release FIRST-2060, a four-class labelled dataset of 2060 RAGNs (sFRI, sFRII, WAT, NAT) constructed from three publicly available catalogues through multi-tier visual inspection, together with the semi-supervised RGC 1.0 model that leverages 20,000 unlabelled sources. We benchmark RGC against five supervised baselines. FIRST-2060 is provided in two preprocessing variants: $\mathbf{R}_{L1}$, which retains spurious sources, and $\mathbf{R}_{L2}$, from which they are removed. The RGC model integrates the self-supervised framework BYOL (Bootstrap Your Own Latent) with an $E(2)$-equivariant steerable CNN (E2CNN) encoder, pre-trained on the unlabelled data and fine-tuned on the labelled sets. All six models are evaluated with 5-fold cross-validation, Grad-CAM attention analysis, and controlled class-imbalance experiments. ConvNeXT ($M_1$) and RGC ($M_2$) form a top tier at macro-$F_1$ $0.80\pm0.02$ and $0.79\pm0.02$ respectively, a difference within one standard deviation. $M_2$ is the only model whose Grad-CAM contours consistently trace the morphological structure of RAGNs -- lobes, jets, and bends -- rather than defaulting to compact blobs or diffuse patterns. The four-class scheme introduced here enables WAT/NAT-resolved catalogues that can serve as environment probes and progenitor classifications for diffuse cluster radio emission. The complementary strengths of $M_1$ and $M_2$ -- in cross-type and within-type discrimination respectively -- suggest that an ensemble approach may offer a practical framework for survey-scale morphological catalogues.
Authors: Daniel Chenyu Lin, Michael Freeman, John Thickstun
Abstract: Large audio language models (LALMs) leverage multimodal representations to generate open-ended answers to natural language queries about audio. In this paper, we (1) provide empirical evidence that assessment of LALMs using the popular MusicQA dataset fails to measure whether a model's responses about music are factually correct, and (2) develop a new protocol for assessing the music comprehension capabilities of LALMs. Specifically, we propose an evaluation protocol that prompts a LALM for factually verifiable information, and parses its open-ended response into a structured format that can be objectively assessed using Precision, Recall, and F1 scores. Using this protocol, we define a benchmark consisting of six factual information retrieval tasks defined on three diverse datasets: MusicNet, the Free Music Archive, and OverClocked ReMix. We benchmark nine recent LALMs, including frontier models like Gemini and the latest open models like Music Flamingo, and release the suite of evaluation scripts at https://github.com/DCL2004/LALM-Eval to facilitate benchmarking of new LALMs.
Authors: Tommaso Castellani, Naimeng Ye, Daksh Mittal, Thomson Yen, Emmanouil Koukoumidis, William Zeng, Hongseok Namkoong
Abstract: For agentic systems to use external tools to solve complex, long-horizon tasks, we need a large set of diverse and controllable tool-use environments. We introduce SynthTools, a fully LLM-based pipeline spanning the entire lifecycle: environment generation, simulation, validation and task construction. By operating end-to-end through LLMs, our framework complements other tool-use environments bottlenecked by the complexity of real APIs, and ensures scalability and controllability by design. The framework consists of three components: top-down environment generation, which hierarchically constructs diverse, domain-grounded tool environments; environment simulation and validation, which ensures tools can be reliably emulated and filters out those that cannot; and bottom-up task and trajectory generation, which produces solvable and verifiable tasks together with multi-step trajectories, exposing control over difficulty, length, trajectory composition, and domain focus to guarantee flexibility. As a concrete instantiation, we release the dataset comprising $73{,}883$ validated tools across $6{,}800$ environments and $100$ fields, $79{,}925$ verifiable tasks as well as the pipeline to generate trajectories at scale. Training Qwen3 models of various sizes on a corpus of trajectories generated from these tasks yields gains across multiple tool-use benchmarks, including real APIs, indicating tool-use capabilities trained on synthetic data may transfer to some real environments. Together, these results suggest that SynthTools can serve as a useful infrastructure for large-scale training of tool-use agents.
Authors: Biagio La Rosa, Leilani H. Gilpin
Abstract: Compositional explanations are a family of methods that aim to describe the spatial alignment between neurons' receptive field activations and concepts through logical rules, typically computed via a search over all possible concept combinations. Since computing the spatial alignment over the entire state space is computationally infeasible, the literature commonly adopts assumptions related to the structure of the combinations and beam search to restrict the state space. However, beam search cannot provide any theoretical guarantees of optimality, and it remains unclear how close current explanations are to the true optimum. In this theoretical paper, we address this gap by introducing the first framework for computing guaranteed optimal compositional explanations over the entire state space spanned by the adopted assumptions. Specifically, we propose: (i) a decomposition that identifies the factors influencing the spatial alignment, (ii) a heuristic to estimate the alignment at any stage of the search, and (iii) the first algorithm that can compute optimal compositional explanations in a time comparable to exhaustive beam search. Using this framework, we demonstrate that 10-40% of explanations previously obtained with beam search are suboptimal when overlapping concepts are involved. Finally, we evaluate a beam-search variant guided by our proposed decomposition and heuristic, showing that it matches or improves runtime over prior methods while offering greater flexibility in hyperparameters and computational resources.
Authors: Martin Andrae, Erik Wikingsson, So Takao, Tomas Landelius, Fredrik Lindsten
Abstract: Data assimilation (DA) is a cornerstone of scientific and engineering applications, combining model forecasts with sparse and noisy observations to estimate latent system states. Classical high-dimensional DA methods, such as the ensemble Kalman filter, rely on Gaussian approximations that are violated for complex dynamics or observation operators. To address this limitation, we introduce DAISI, a scalable filtering algorithm built on flow-based generative models that enables flexible probabilistic inference using data-driven priors. The core idea is to use a stationary, pre-trained generative prior that first incorporates forecast information through a novel inverse-sampling step, before assimilating observations via guidance-based conditional sampling. This allows us to leverage any forecasting model as part of the DA pipeline without having to retrain or fine-tune the generative prior at each assimilation step. Experiments on challenging nonlinear systems show that DAISI achieves accurate filtering results in regimes with sparse, noisy, and nonlinear observations where traditional methods struggle. The code for DAISI is available at https://github.com/Erik-Wikingsson/DAISI.
Authors: Vahid Nateghi, Lara Neureither, Selma Moqvist, Carsten Hartmann, Simon Olsson, Feliks N\"uske
Abstract: Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general underdamped Langevin dynamics. Following the Zwanzig projection approach, we derive a closed-form expression for the coarse grained dynamics. In addition, we show how the generator Extended Dynamic Mode Decomposition (gEDMD) method, which was developed in the context of Koopman operator methods, can be used to model the CG dynamics and evaluate its kinetic properties, such as transition timescales. Finally, we combine our approach with thermodynamic interpolation (TI), a generative approach to transform samples between thermodynamic conditions, to extend the scope of the approach across thermodynamic states without repeated numerical simulations. Using a two-dimensional model system, we demonstrate that the proposed method allows to accurately capture the thermodynamic and kinetic properties of the full-space model.
Authors: Gabriel Peyr\'e
Abstract: Several problems in machine learning are naturally expressed as the design and analysis of time-evolving probability distributions. This includes sampling via diffusion methods, optimizing the weights of neural networks, and analyzing the evolution of token distributions across layers of large language models. While the targeted applications differ (samples, weights, tokens), their mathematical descriptions share a common structure. A key idea is to switch from the Eulerian representation of densities to their Lagrangian counterpart through vector fields that advect particles. This dual view introduces challenges, notably the non-uniqueness of Lagrangian vector fields, but also opportunities to craft density evolutions and flows with favorable properties in terms of regularity, stability, and computational tractability. This survey presents an overview of these methods, with emphasis on two complementary approaches: diffusion methods, which rely on stochastic interpolation processes and underpin modern generative AI, and optimal transport, which defines interpolation by minimizing displacement cost. We illustrate how both approaches appear in applications ranging from sampling, neural network optimization, to modeling the dynamics of transformers for large language models.
Authors: Ekaterina Kalinicheva, Florian Helen, St\'ephane Mermoz, Florian Mouret, Milena Planells
Abstract: Fine-scale forest monitoring is essential for understanding canopy structure and its dynamics, which are key indicators of carbon stocks, biodiversity, and forest health. Deep learning is particularly effective for this task, as it integrates spectral, temporal, and spatial signals that jointly reflect the canopy structure. To address this need, we introduce THREASURE-Net, a novel end-to-end framework for Tree Height Regression And Super-Resolution. The model is trained on Sentinel-2 time series using reference height metrics derived from LiDAR HD data at multiple spatial resolutions over Metropolitan France to produce annual height maps. We evaluate three model variants, producing tree-height predictions at 2.5 m, 5 m, and 10 m resolution. THREASURE-Net does not rely on any pretrained model nor on reference very high resolution optical imagery to train its super-resolution module; instead, it learns solely from LiDAR-derived height information. Our approach outperforms existing state-of-the-art methods based on Sentinel data and is competitive with methods based on very high resolution imagery. It can be deployed to generate high-precision annual canopy-height maps, achieving mean absolute errors of 2.63 m, 2.70 m, and 2.88 m at 2.5 m, 5 m, and 10 m resolution, respectively. These results highlight the potential of THREASURE-Net for scalable and cost-effective structural monitoring of temperate forests using only freely available satellite data. The source code for THREASURE-Net is available at: https://github.com/Global-Earth-Observation/threasure-net.
URLs: https://github.com/Global-Earth-Observation/threasure-net.
Authors: Martin Sterchi, Nathan Brack, Lorenz Hilfiker
Abstract: The source detection problem arises when an epidemic process unfolds over a contact network, and the objective is to identify its point of origin, i.e., the source node. Research on this problem began with the seminal work of Shah and Zaman in 2010, who formally defined it and introduced the notion of rumor centrality. With the emergence of Graph Neural Networks (GNNs), several studies have proposed GNN-based approaches to source detection. However, there is room to strengthen methodological clarity and reproducibility across these works. As a result, it remains unclear whether GNNs truly outperform more traditional source detection methods across comparable settings. In this paper, we first systematically review existing GNN-based methods for source detection, clearly outlining the specific settings each addresses and the architectures they employ. We then reproduce and benchmark four representative GNN architectures against a diverse set of traditional and MLP-based baselines under controlled, comparable conditions. We also investigate key questions surrounding this problem, including how detectability evolves over time, how performance scales with training set size, and how sensitive methods are to uncertainty in observation timing and epidemic parameters. Our experiments show that GNNs substantially outperform all other methods we test across a variety of network topologies. Although we initially set out to challenge the notion of GNNs as a solution to source detection, our results instead demonstrate their remarkable effectiveness for this task. To ensure full reproducibility, we release all code and data on GitHub. Finally, we argue that epidemic source detection constitutes a natural and attractive benchmark task for evaluating GNN architectures.
Authors: Chulun Zhou, Chunkang Zhang, Guoxin Yu, Fandong Meng, Jie Zhou, Wai Lam, Mo Yu
Abstract: Multi-step retrieval-augmented generation (RAG) has become a widely adopted strategy for enhancing large language models (LLMs) on tasks that demand global comprehension and intensive reasoning. Although many RAG systems incorporate a working memory to consolidate information, existing designs primarily function as a passive storage for isolated facts. This static nature overlooks crucial high-order correlations among primitive facts, thereby limiting models' capacity for multi-step reasoning and resulting in fragmented reasoning and weak global sense-making within extended contexts. We introduce HGMem, a hypergraph-based working memory system, extending the concept of memory beyond simple storage into a dynamic, expressive structure for complex reasoning and global understanding. In our approach, memory is represented as a hypergraph where hyperedges correspond to distinct memory units, enabling the progressive formation of high-order interactions within memory. This mechanism connects facts and thoughts around the focal problem, evolving the memory into an integrated and situated knowledge structure that provides strong propositions for deeper reasoning. We evaluate HGMem on several challenging global sense-making benchmarks. Extensive experiments and in-depth analyses demonstrate that our method consistently improves multi-step RAG and substantially outperforms strong baseline systems across diverse datasets.
Authors: Mikael M{\o}ller H{\o}gsgaard
Abstract: In this paper, we settle the problem of learning optimal linear contracts from data in the offline setting, where agent types are drawn from an unknown distribution and the principal's goal is to design a contract that maximizes her expected utility. Specifically, our analysis shows that the simple Empirical Utility Maximization (EUM) algorithm yields an $\varepsilon$-approximation of the optimal linear contract with probability at least $1-\delta$, using just $O(\ln(1/\delta) / \varepsilon^2)$ samples. This result improves upon previously known bounds and matches a lower bound from D\"utting et al. 2025 up to constant factors, thereby proving its optimality. Furthermore, our result establishes the stronger guarantee of uniform convergence: the empirical utility of every linear contract is an $\varepsilon$-approximation of its true expectation with probability at least $1-\delta$, using the same optimal $O(\ln(1/\delta) / \varepsilon^2)$ sample complexity.
Authors: Santiago Acevedo, Alessandro Laio, Marco Baroni
Abstract: We study how syntactic and semantic information is encoded in inner layer representations of Large Language Models (LLMs), focusing on the very large DeepSeek-V3. We find that, by averaging hidden-representation vectors of sentences sharing syntactic structure or meaning, we obtain vectors that capture a significant proportion of the syntactic and semantic information contained in the representations. In particular, subtracting these syntactic and semantic ``centroids'' from sentence vectors strongly affects their similarity with syntactically and semantically matched sentences, respectively, suggesting that syntax and semantics are, at least partially, linearly encoded. We also find that the cross-layer encoding profiles of syntax and semantics are different, and that the two signals can to some extent be decoupled, suggesting differential encoding of these two types of linguistic information in LLM representations.
Authors: Minh Hai Nguyen, Quoc Bao Do, Edouard Pauwels, Pierre Weiss
Abstract: Supervised convolutional neural networks (CNNs) are widely used to solve imaging inverse problems, achieving state-of-the-art performance in numerous applications. However, despite their empirical success, these methods are poorly understood from a theoretical perspective and often treated as black boxes. To bridge this gap, we analyze trained neural networks through the lens of the Minimum Mean Square Error (MMSE) estimator, incorporating functional constraints that capture two fundamental inductive biases of CNNs: translation equivariance and locality via finite receptive fields. Under the empirical training distribution, we derive an analytic, interpretable, and tractable formula for this constrained variant, termed Local-Equivariant MMSE (LE-MMSE). Through extensive numerical experiments across various inverse problems (denoising, inpainting, deconvolution), datasets (FFHQ, CIFAR-10, FashionMNIST), and architectures (U-Net, ResNet, PatchMLP), we demonstrate that our theory matches the neural networks outputs (PSNR $\gtrsim25$dB). Furthermore, we provide insights into the differences between \emph{physics-aware} and \emph{physics-agnostic} estimators, the impact of high-density regions in the training (patch) distribution, and the influence of other factors (dataset size, patch size, etc).
Authors: Priyanka Mary Mammen, Emil Joswin, Shankar Venkitachalam
Abstract: Prior research demonstrates that performance of language models on reasoning tasks can be influenced by suggestions, hints and endorsements. However, the influence of endorsement source credibility remains underexplored. We investigate whether language models exhibit systematic bias based on the perceived expertise of the provider of the endorsement. Across 4 datasets spanning mathematical, legal, and medical reasoning, we evaluate 11 models using personas representing four expertise levels per domain. Our results reveal that models are increasingly susceptible to incorrect/misleading endorsements as source expertise increases, with higher-authority sources inducing not only accuracy degradation but also increased confidence in wrong answers. We also show that this authority bias is mechanistically encoded within the model and a model can be steered away from the bias, thereby improving its performance even when an expert gives a misleading endorsement.
Authors: Zhengyan Wan, Yidong Ouyang, Liyan Xie, Hongyuan Zha, Fang Fang, Guang Cheng
Abstract: Discrete flow models (DFMs) have been proposed to learn the data distribution on finite state space, offering a flexible framework as an alternative to discrete diffusion models. A line of recent work has studied samplers for discrete diffusion models, such as tau-leaping and Euler solver. However, these samplers require a large number of iterations to control discretization error, since the transition rates are frozen in time and evaluated at the initial state within each time interval. Moreover, theoretical results for these samplers often require boundedness conditions of the transition rate or they focus on a specific type of source distributions. To address those limitations, we establish non-asymptotic discretization error bounds for those samplers without any restriction on transition rates and source distributions, under the framework of discrete flow models. Furthermore, by analyzing a one-step lower bound of the Euler sampler, we propose two corrected samplers: \textit{time-corrected sampler} and \textit{location-corrected sampler}, which can reduce the discretization error of tau-leaping and Euler solver with almost no additional computational cost. We rigorously show that the location-corrected sampler has a lower complexity than existing parallel samplers. We validate the effectiveness of the proposed method by achieving better generation quality with reduced inference time on simulations and text-to-image generation tasks. Code can be found in https://github.com/WanZhengyan/Corrected-Samplers-for-Discrete-Flow-Models.
URLs: https://github.com/WanZhengyan/Corrected-Samplers-for-Discrete-Flow-Models.
Authors: Zizhuo Fu, Wenxuan Zeng, Runsheng Wang, Meng Li
Abstract: Large Language Models (LLMs) often assign disproportionate attention to the first token, a phenomenon known as the attention sink. Several recent approaches aim to address this issue, including Sink Attention in GPT-OSS and Gated Attention in Qwen3-Next. However, a comprehensive analysis of the relationship among these attention mechanisms is lacking. In this work, we provide both theoretical and empirical evidence demonstrating that the sink in Vanilla Attention and Sink Attention naturally construct a Mixture-of-Experts (MoE) mechanism within attention layers. This insight explains the head collapse phenomenon observed in prior work, where only a fixed subset of attention heads contributes to generation. To mitigate head collapse, we propose a sink-aware training algorithm with an auxiliary load balancing loss designed for attention layers. Extensive experiments show that our method achieves effective head load balancing and improves model performance across Vanilla Attention, Sink Attention, and Gated Attention. We hope this study offers a new perspective on attention mechanisms and encourages further exploration of the inherent MoE structure within attention layers.
Authors: Hayeong Lee, JunHyeok Oh, Byung-Jun Lee
Abstract: The design of environments plays a critical role in shaping the development and evaluation of cooperative multi-agent reinforcement learning (MARL) algorithms. While existing benchmarks highlight critical challenges, they often lack the modularity required to design custom evaluation scenarios. We introduce the Totally Accelerated Battle Simulator in JAX (TABX), a high-throughput sandbox designed for reconfigurable multi-agent tasks. TABX provides granular control over environmental parameters, permitting a systematic investigation into emergent agent behaviors and algorithmic trade-offs across a diverse spectrum of task complexities. Leveraging JAX for hardware-accelerated execution on GPUs, TABX enables massive parallelization and significantly reduces computational overhead. By providing a fast, extensible, and easily customized framework, TABX facilitates the study of MARL agents in complex structured domains and serves as a scalable foundation for future research. Our code is available at: https://github.com/ku-dmlab/TABX.
Authors: DongNyeong Heo, Taehwan Kim, Heeyoul Choi
Abstract: Language models (LMs) are a central component of modern AI systems, and diffusion language models (DLMs) have recently emerged as a competitive alternative. Both paradigms rely on word embeddings not only to represent the input sentence, but also to represent the target sentence that backbone models are trained to predict. We argue that such static embedding of the target word is insensitive to neighboring words, encouraging locally accurate word prediction while global sentence structure is less emphasized. To address this, we propose a continuous sentence representation, termed sentence curve, defined as a spline curve whose control points affect multiple words in the sentence. Based on this representation, we introduce sentence curve language model (SCLM), which extends DLMs to predict sentence curves instead of the static word embeddings. We theoretically show that sentence curve prediction induces a regularization effect that promotes global structure modeling, and characterize how different sentence curve types affect this behavior. Empirically, SCLM achieves state-of-the-art performance among DLMs on IWSLT14 and WMT14, shows stable training without burdensome knowledge distillation, and demonstrates promising potential compared to discrete DLMs on LM1B.
Authors: Xinyu Liu, Zixuan Xie, Amir Moeini, Claire Chen, Shuze Daniel Liu, Yu Meng, Aidong Zhang, Shangtong Zhang
Abstract: While the ecosystem of Lean and Mathlib has enjoyed celebrated success in formal mathematical reasoning with the help of large language models (LLMs), the absence of many folklore lemmas in Mathlib remains a persistent barrier that limits Lean's usability as an everyday tool for mathematicians like \LaTeX{} or Maple. To address this, we introduce MathlibLemma, a modular LLM-based pipeline for automated folklore-lemma mining: the discovery, formalization, and proving of reusable intermediate facts that mathematicians often take for granted but that are not always present in formal libraries. At its core, MathlibLemma proactively mines the missing connective tissue of mathematics. The pipeline produces a verified library of folklore-style lemmas, including 1,506 Lean-checked proofs that pass a proof-bypass screen; a small curated pilot subset has also been merged into Mathlib, providing external evidence that selected outputs can meet expert library standards. Leveraging this pipeline, we further construct the MathlibLemma benchmark, a suite of 4,028 non-trivial type-checked Lean statements spanning a broad range of mathematical domains. By transforming the role of LLMs from passive consumers to active contributors, this work takes a step toward AI-assisted expansion of formal mathematical libraries.
Authors: Le Minh Triet Tran (IMT Atlantique, LaTIM), Sarah Reynaud (IMT Atlantique, LaTIM), Ronan Fablet (IMT Atlantique, Lab-STICC), Adrien Merlini (IMT Atlantique, Lab-STICC), Fran\c{c}ois Rousseau (IMT Atlantique, LaTIM), Mai Quyen Pham (IMT Atlantique, Lab-STICC)
Abstract: Inverse problems are often ill-posed and require optimization schemes with strong stability and convergence guarantees. While learning-based approaches such as deep unrolling and meta-learning achieve strong empirical performance, they typically lack explicit control over descent and curvature, limiting robustness. We propose a learned Majorization-Minimization (MM) framework for inverse problems within a bilevel optimization setting. Instead of learning a full optimizer, we learn a structured curvature majorant that governs each MM step while preserving classical MM descent guarantees. The majorant is parameterized by a lightweight recurrent neural network and explicitly constrained to satisfy valid MM conditions. For cosine-similarity losses, we derive explicit curvature bounds yielding diagonal majorants. When analytic bounds are unavailable, we rely on efficient Hessian-vector product-based spectral estimation to automatically upper-bound local curvature without forming the Hessian explicitly. Experiments on EEG source imaging demonstrate improved accuracy, stability, and cross-dataset generalization over deep-unrolled and meta-learning baselines.
Authors: Haozhen Zhang, Haodong Yue, Tao Feng, Quanyu Long, Jianzhu Bao, Bowen Jin, Weizhi Zhang, Xiao Li, Jiaxuan You, Chengwei Qin, Wenya Wang
Abstract: Memory is increasingly central to Large Language Model (LLM) agents operating beyond a single context window, yet most existing systems rely on offline, query-agnostic memory construction that can be inefficient and may discard query-critical information. Although runtime memory utilization is a natural alternative, prior work often incurs substantial overhead and offers limited explicit control over the performance-cost trade-off. In this work, we present \textbf{BudgetMem}, a runtime agent memory framework for explicit, query-aware performance-cost control. BudgetMem structures memory processing as a set of memory modules, each offered in three budget tiers (i.e., \textsc{Low}/\textsc{Mid}/\textsc{High}). A lightweight router performs budget-tier routing across modules to balance task performance and memory construction cost, which is implemented as a compact neural policy trained with reinforcement learning. Using BudgetMem as a unified testbed, we study three complementary strategies for realizing budget tiers: implementation (method complexity), reasoning (inference behavior), and capacity (module model size). Across LoCoMo, LongMemEval, and HotpotQA, BudgetMem surpasses strong baselines when performance is prioritized (i.e., high-budget setting), and delivers better accuracy-cost frontiers under tighter budgets. Moreover, our analysis disentangles the strengths and weaknesses of different tiering strategies, clarifying when each axis delivers the most favorable trade-offs under varying budget regimes.
Authors: Yanxiao Liu, Yijun Fan, Deniz G\"und\"uz
Abstract: Change of measure inequalities translate divergences between probability measures into explicit bounds on event probabilities, and play an important role in deriving probabilistic guarantees in learning theory, information theory, and statistics. We propose novel change of measure inequalities via a unified framework based on the data processing inequality, which is surprisingly elementary yet powerful enough to yield novel, tighter inequalities. We provide change of measure inequalities in terms of a broad family of information measures, including $f$-divergences (with Kullback-Leibler divergence and $\chi^2$-divergence as special cases), R\'enyi divergence, and $\alpha$-mutual information (with maximal leakage as a special case). We apply these results to generalization error analysis, PAC-Bayesian theory, differential privacy, and data memorization, obtaining stronger guarantees while recovering best-known results through simplified analyses.
Authors: Pierre-Alexandre Mattei, Bruno Loureiro
Abstract: Temperature scaling is a simple method that allows to control the uncertainty of probabilistic models. It is mostly used in two contexts: improving the calibration of classifiers and tuning the stochasticity of large language models (LLMs). In both cases, temperature scaling is the most popular method for the job. Despite its popularity, a rigorous theoretical analysis of the properties of temperature scaling has remained elusive. We investigate here some of these properties. For classification, we show that increasing the temperature increases the uncertainty in the model in a very general sense (and in particular increases its entropy). However, for LLMs, we challenge the common claim that increasing temperature increases diversity. Furthermore, we introduce two new characterisations of temperature scaling. The first one is geometric: the tempered model is shown to be the information projection of the original model onto the set of models with a given entropy. The second characterisation clarifies the role of temperature scaling as a submodel of more general linear scalers such as matrix scaling and Dirichlet calibration: we show that temperature scaling is the only linear scaler that does not change the hard predictions of the model.
Authors: Haihui Pan, Yuzhong Hong, Kaichen Zhang, Shaoke Lv, Junwei Bao, Hongfei Jiang, Yang Song
Abstract: In many large language model (LLM) alignment applications, users expect not only high-quality outputs but also substantial diversity. However, existing methods often face a fundamental trade-off between these objectives: approaches that improve output quality tend to reduce diversity, while methods that increase diversity often do so at the expense of quality. In this work, we propose Quality-constrained Entropy Maximization Policy Optimization (QEMPO), a novel framework that enhances the diversity of LLM outputs while explicitly preserving output quality. QEMPO is grounded in a strong theoretical foundation: we derive a closed-form analytical solution that provably maximizes entropy-a principled measure of diversity-subject to a quality constraint, with guarantees on optimality under the defined objective. Leveraging this solution, QEMPO naturally supports both online and offline training settings. Empirical results demonstrate that QEMPO consistently improves output diversity without sacrificing quality, and in many cases yields gains in both dimensions compared to existing baselines, aligning with our theoretical guarantees.
Authors: Yujie Zhao, Boqin Yuan, Junbo Huang, Haocheng Yuan, Zhongming Yu, Haozhou Xu, Lanxiang Hu, Abhilash Shankarampeta, Zimeng Huang, Wentao Ni, Yuandong Tian, Jishen Zhao
Abstract: Large Language Models (LLMs) are increasingly used as autonomous agents in complex, long-horizon applications, where effective memory is critical for sustained performance. Yet existing memory benchmarks are largely dialogue-centric, while real agent memory consists of continuous agent-environment interaction trajectories composed of states, actions, observations, and tool outputs. To address this gap, we introduce **AMA-Bench** (**A**gent **M**emory with **A**ny length), a benchmark for evaluating long-horizon memory in realistic agentic settings. AMA-Bench combines real-world agent trajectories from representative applications with expert-curated QA, as well as synthetic trajectories that scale to arbitrary horizons with rule-based QA. Our study shows that existing memory systems underperform because they fail to capture causal and objective information and rely heavily on lossy similarity-based retrieval. We further propose **AMA-Agent**, a memory system based on causality-graph construction and tool-augmented retrieval. AMA-Agent achieves **57.22%** accuracy on AMA-Bench, outperforming the strongest baseline by **11.16%**. Resources are available at: [https://ama-bench.github.io/](https://ama-bench.github.io/).
URLs: https://ama-bench.github.io/](https://ama-bench.github.io/).
Authors: Yoichi Chikahara
Abstract: Heteroscedasticity -- where the variance of a variable changes with other variables -- is pervasive in real data, and elucidating why it arises from the perspective of statistical moments is crucial in scientific knowledge discovery and decision-making. However, standard causal discovery does not reveal which causes act on the mean versus the variance, as it returns a single moment-agnostic graph, limiting interpretability and downstream intervention design. We propose a Bayesian, moment-driven causal discovery framework that infers separate \textit{mean} and \textit{variance} causal graphs from observational heteroscedastic data. We first derive the identification results by establishing sufficient conditions under which these two graphs are separately identifiable. Building on this theory, we develop a variational inference method that learns a posterior distribution over both graphs, enabling principled uncertainty quantification of structural features (e.g., edges, paths, and subgraphs). To address the challenges of parameter optimization in heteroscedastic models with two graph structures, we take a curvature-aware optimization approach and develop a prior incorporation technique that leverages domain knowledge on node orderings, improving sample efficiency. Experiments on synthetic, semi-synthetic, and real data show that our approach accurately recovers mean and variance structures and outperforms state-of-the-art baselines.
Authors: Jaehoon Lee, Suhwan Park, Taeyoon Lim, Seunghan Lee, Jun Seo, Dongwan Kang, Hwanil Choi, Minjae Kim, Sungdong Yoo, Soonyoung Lee, Yongjae Lee, Wonbin Ahn
Abstract: The financial domain involves a variety of important time-series problems. Recently, time-series analysis methods that jointly leverage textual and numerical information have gained increasing attention. Accordingly, numerous efforts have been made to construct text-paired time-series datasets in the financial domain. However, financial markets are characterized by complex interdependencies, in which a company's stock price is influenced not only by company-specific events but also by events in other companies and broader macroeconomic factors. Existing approaches that pair text with financial time-series data based on simple keyword matching often fail to capture such complex relationships. To address this limitation, we propose a semantic-based and multi-level pairing framework. Specifically, we extract company-specific context for the target company from SEC filings and apply an embedding-based matching mechanism to retrieve semantically relevant news articles based on this context. Furthermore, we classify news articles into four levels (macro-level, sector-level, related company-level, and target company-level) using large language models (LLMs), enabling multi-level pairing of news articles with the target company. Applying this framework to publicly-available news datasets, we construct FinTexTS, a new large-scale text-paired stock price dataset. Experimental results on FinTexTS demonstrate the effectiveness of our semantic-based and multi-level pairing strategy in stock price forecasting. In addition to publicly-available news underlying FinTexTS, we show that applying our method to proprietary yet carefully curated news sources leads to higher-quality paired data and improved stock price forecasting performance.
Authors: Ayushi Agarwal
Abstract: We argue that formal certification of AI alignment over open-ended or unbounded input domains is impossible under standard assumptions in computational complexity and learning theory, and characterise what remains achievable. Two structurally independent impossibility theorems support this position. The semantic barrier (Theorem 1): deciding whether a system satisfies any non-trivial alignment property over the full input domain is NP-hard for feedforward networks and undecidable for Turing-complete architectures -- a direct consequence of neural-network verification complexity and Rice's Theorem. The statistical barrier (Theorem 2): any verification procedure that is both sound and tractable cannot satisfy Completeness over the full input domain -- a direct consequence of the impossibility of certifying infinite-domain properties from finite observations. These two theorems jointly entail a trilemma: no procedure can simultaneously satisfy soundness (no misaligned system is certified), completeness (no aligned system is rejected), and tractability (polynomial runtime). Each pair is simultaneously achievable; all three are not. We combine these results as a joint framework of two structurally independent barriers, prove their independence, and characterise the achievable Pareto frontier quantitatively via a constructive coverage-gap lower bound.
Authors: Zhuchenyang Liu, Yao Zhang, Yu Xiao
Abstract: Vision-Language Model (VLM) based retrievers have advanced visual document retrieval (VDR) to impressive quality. They require the same multi-billion parameter encoder for both document indexing and query encoding, incurring high latency and GPU dependence even for plain-text queries. We observe that this design is unnecessarily symmetric: documents are visually complex and demand strong visual understanding, whereas queries are just short text strings. NanoVDR exploits this query--document asymmetry by decoupling the two encoding paths: a frozen 2B VLM teacher indexes documents offline, while a distilled text-only student as small as 69M parameters encodes queries at inference. The key design choice is the distillation objective. Through systematic comparison of six objectives across three backbones and 22 ViDoRe benchmark datasets, we find that pointwise cosine alignment on query text consistently outperforms ranking-based and contrastive alternatives, while requiring only pre-cached teacher query embeddings and no document processing during training. Furthermore, we identify cross-lingual transfer as the primary performance bottleneck, and resolve it cheaply by augmenting training data with machine-translated queries. The resulting NanoVDR-S-Multi (DistilBERT, 69M) retains 95.1\% of teacher quality and outperforms DSE-Qwen2 (2B) on v2 and v3 with 32$\times$ fewer parameters and 50$\times$ lower CPU query latency, at a total training cost under 13 GPU-hours.
Authors: Todd Morrill, Christian Pehle, Anthony Zador
Abstract: Continuous-time, event-native spiking neural networks (SNNs) operate strictly on spike events, treating spike timing and ordering as the representation rather than an artifact of time discretization. This viewpoint aligns with biological computation and with the native resolution of event sensors and neuromorphic processors, while enabling compute and memory that scale with the number of events. However, two challenges hinder practical, end-to-end trainable event-based SNN systems: 1) exact charge--fire--reset dynamics impose inherently sequential processing of input spikes, and 2) precise spike times must be solved without time bins. We address both. First, we use parallel associative scans to consume multiple input spikes at once, yielding up to 44x speedups over sequential simulation while retaining exact hard-reset dynamics. Second, we implement differentiable spike time solvers that compute spike times to machine-precision without discrete-time approximations or restrictive analytic assumptions. We demonstrate the viability of training SNNs using our solutions on four event-based datasets on GPUs.
Authors: Siqi Guo, Ming Lin, Tianbao Yang
Abstract: Developing efficient CUDA kernels is a fundamental yet challenging task in the generative AI industry. Recent research leverages Large Language Models (LLMs) to automatically convert PyTorch reference implementations to CUDA kernels, significantly reducing engineering effort. State-of-the-art LLMs, such as GPT-5.2 and Claude-Sonnet-4.5, still struggle with this task. To address this challenge, we propose DRTriton, a scalable learning framework for training LLMs to convert PyTorch programs into highly optimized Triton kernels, which are then compiled to CUDA kernels at runtime. DRTriton consists of three key components: (i) a data synthetic algorithm CSP-DAG that guarantees full coverage and unbiased uniform sampling over the operator space with controlled difficulty; (ii) a curriculum RL framework with decoupled rewards that jointly optimizes conversion success rate and execution speed; and (iii) a test-time search algorithm that further improves the execution speed of the generated Triton kernels. With a warmup stage of SFT on limited PyTorch-Triton pairs curated using existing LLMs, DRTriton trained by RL on synthesized PyTorch programs generalizes effectively to real-world CUDA kernels that are challenging even for human experts. Experimental results show that DRTriton-7B achieves speedup over PyTorch on 92% of KernelBench Level 2 tasks, compared to 23% for GPT-5.2 and 19% for Claude-Sonnet-4.5.
Authors: Ling Yue, Chaoqian Ouyang, Hang Xu, Ruijun Huang, Yuchen Liu, Libin Zheng, Wei Liu, Shaowu Pan, Shimin Di, Min-Ling Zhang
Abstract: LLM-based reviewing systems typically take only the manuscript as input, leaving literature and code-based claims hard to verify. We present FactReview, a system that extracts review-relevant claims, grounds them in related work, and, when code is available, executes released artifacts under a fixed repair budget to audit empirical claims. Across 35 ML papers and 463 benchmark major claims, FactReview covers 84% of claims. Under an evidence-aware rubric, its reviews score 4.86/5 in overall quality, 0.7 above DeepReview-v2 and 1.5 above matched OpenReview comments. Removing execution evidence changes 17% of claim statuses, more than any other single evidence source. In a reviewer-assistance study, FactReview reduces mean review time by 58% while raising benchmark claim coverage from 87% to 99%. We argue that LLM reviewers should audit empirical claims, not make accept-reject decisions. The code is public at: https://github.com/DEFENSE-SEU/FactReview.
Authors: Jiaqi Wang, Haoge Deng, Ting Pan, Yang Liu, Chengyuan Wang, Fan Zhang, Yonggang Qi, Xinlong Wang
Abstract: Uniform Discrete Diffusion Model (UDM) has recently emerged as a promising paradigm for discrete generative modeling; however, its integration with reinforcement learning remains largely unexplored. We observe that naively applying GRPO to UDM leads to training instability and marginal performance gains. To address this, we propose UDM-GRPO, the first framework to integrate UDM with RL. Our method is guided by two key insights: (i) treating the final clean sample as the action provides more accurate and stable optimization signals; and (ii) reconstructing trajectories via the diffusion forward process better aligns probability paths with the pretraining distribution. Additionally, we introduce two strategies, Reduced-Step and CFG-Free, to further improve training efficiency. UDM-GRPO significantly improves base model performance across multiple T2I tasks. Notably, GenEval accuracy improves from $69\%$ to $96\%$ and PickScore increases from $20.46$ to $23.81$, achieving state-of-the-art performance in both continuous and discrete settings. On the OCR benchmark, accuracy rises from $8\%$ to $57\%$, further validating the generalization ability of our method. Code is available at https://github.com/Yovecent/UDM-GRPO.
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. This model generalizes several widely used sparsity-promoting regularizers and provides additional flexibility through the parameters $p$ and $q$. 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, thereby offering a unified perspective on these nonconvex regularizers. In addition, we establish a new sufficient recovery condition under the Restricted Isometry Property (RIP), which shows that the proposed framework can provide relaxed recovery guarantees and improved robustness. To solve the resulting nonconvex problem, we develop a majorization--minimization (MM) algorithm and prove its convergence by using the Kurdyka--{\L}ojasiewicz (KL) property. Numerical experiments on sparse recovery problems with different sensing matrices and MRI reconstruction demonstrate that the proposed approach outperforms existing methods in recovery accuracy.
Authors: Po-Heng Chou, Yi-Fang Yu, Shou-Yu Chen, Chiapin Wang
Abstract: The coexistence of NR-U and Wi-Fi in unlicensed spectrum introduces a challenging coexistence management problem, where heterogeneous channel access mechanisms lead to a significant imbalance in spectrum utilization and degraded Wi-Fi performance. To address this challenge, we propose a policy-driven deep reinforcement learning (DRL) framework for adaptive transmission opportunity (TXOP) control, in which the coexistence process is formulated as a Markov decision process (MDP) and a deep Q-network (DQN) learns control policies through online interaction. A key contribution is the introduction of a policy layer via reward design, enabling explicit control of coexistence tradeoffs among fairness, throughput, and utility. Three policies, namely absolute fairness, moderate fairness, and utility-based fairness, are developed to achieve different operating points. Simulation results show that the proposed framework achieves a Jain fairness index above 0.9 under strict fairness control. Compared to absolute fairness, moderate fairness improves aggregate throughput by 68.22%, while the utility-based policy further enhances utility by 177.6%. These results demonstrate that policy-driven control provides a flexible and effective solution for managing tradeoffs in heterogeneous coexistence networks.
Authors: Ali Baheri, Ignacio Laguna Peralta
Abstract: Fourier Neural Operators (FNOs) can greatly accelerate PDE simulation, but they are often used without formal guarantees that they preserve basic physical structure. We show that, once the trained weights and grid are fixed, the spectral convolution in an FNO is a linear map. As a result, the full forward pass is piecewise-linear and can be represented exactly in Z3's linear real arithmetic. We study two encodings. The exact encoding compiles the spectral convolution into a dense matrix multiplication, which is sound for both proofs and counterexamples. The lighter frozen encoding replaces the spectral path with a constant, making it faster but approximate. On 10 small FNO surrogates for 1D advection-diffusion-reaction (85 to 117 parameters, grids 8 to 32), the exact encoding gives 2 sound positivity proofs on linear (ReLU-free) models, 5 sound positivity counterexamples, and 10 sound mass-violation counterexamples; the remaining 3 positivity queries on ReLU models time out. For mass non-increase, Z3 finds worse counterexamples than both gradient-based falsification and Monte Carlo on 7 of 10 models. The frozen encoding scales to grid size 64 with sub-second positivity checks, but it no longer provides certificates for the original FNO. Overall, the results make the soundness--scalability tradeoff explicit and point to what is needed for formal verification of production-scale neural operators.
Authors: Prasanjit Dubey, Xiaoming Huo
Abstract: Training a language model on data scattered across bandwidth-limited nodes that cannot be centralized is a setting that arises in clinical networks, enterprise knowledge bases, and scientific consortia. We study the regime in which data must remain distributed across nodes, and ask what statistical guarantees are in principle achievable under explicit bandwidth budgets; we aim to characterize what is provably possible, not to demonstrate a deployment-ready system. Existing theory treats either training-time consistency or inference-time calibration in isolation, and no prior work makes bandwidth a first-class statistical parameter. We analyze two protocols, Federated Probe-Logit Distillation (FPLD) for training and Federated Conformal RAG (FC-RAG) for inference, as the analytical vehicles for our results. Our first main result is an explicit high-probability KL-consistency rate for FPLD with simultaneous dependence on node count $K$, per-node sample size $n$, quantization budget $B$, probe-set size $m$, and vocabulary size $V$; bandwidth enters only through an exponentially vanishing quantization term. Our second main result is a distribution-free marginal-coverage bound for FC-RAG, whose novel retrieval-bandwidth slack $\Delta_{\mathrm{RAG}} = f_{\max}\sqrt{K^{-2}\sum_i v(B_i)}$ makes per-node retrieval bandwidth a first-class statistical parameter, with arithmetic aggregation across $K$ nodes shrinking the slack as $K^{-1/2}$ in the per-node-uniform regime. A Pinsker-type corollary composes the two bounds into an end-to-end coverage guarantee. Synthetic experiments verify the predicted scaling along the bounds' parameters; small-scale experiments on a GPT-2 testbed illustrate that the qualitative bandwidth-accuracy tradeoff survives on a real language model. A deployment-scale empirical evaluation is out of scope.
Authors: Hsing Wen Lin, Zong-Fu Sie
Abstract: Modern astrophysical studies rely heavily on complex data analysis pipelines; however, published descriptions often lack the detail required for computational reproducibility. In this work, we present an information-theoretic framework to quantify how effectively a method can be reconstructed from its written description. By treating algorithmic reconstruction as a probability distribution generated by Large Language Models (LLMs), we utilize Shannon entropy and Jensen-Shannon divergence to measure how strongly text constrains the hypothesis space of valid implementations. We demonstrate this approach through a case study of Trans-Neptunian Object (TNO) spectral reconstruction from sparse photometry. By prompting frontier LLMs with varying levels of manuscript text (Title, Abstract, and Methods), we find that while increasing text successfully clarifies the overall algorithmic structure, it fails to eliminate variance at the implementation level. This persistent variance establishes an "entropy floor," demonstrating that multiple divergent implementations remain consistent with explicit instructions. To evaluate practical reproducibility, we convert these reconstructed algorithms into executable pipelines. Our results reveal that, while LLMs easily recover core functional methodologies, they systematically fail to infer the tacit expert knowledge required for strict scientific calibration. This pilot study demonstrates that LLMs can be repurposed as a zero-shot diagnostic tool to audit methodological transparency, helping authors identify missing structural constraints and preserve scientific integrity in an era of automated research.
Authors: Chang Jin, An Wang, Zeming Wei, Kai Wang, Biaojie Zeng, Qiaosheng Zhang, Chao Yang, Jingjing Qu, Xia Hu, Xingcheng Xu
Abstract: Reusable skills are becoming a common interface for extending large language model agents, packaging procedural guidance with access to files, tools, memory, and execution environments. However, this modularity introduces attack surfaces that are largely missed by existing safety evaluations: even when the user request is benign, unsafe influence may reside in skill guidance, local artifacts, or execution-environment files that steer the agent toward unsafe actions. We present SkillSafetyBench, a runnable benchmark for evaluating such skill-mediated safety failures. SkillSafetyBench includes 155 adversarial cases across 47 tasks, 6 risk domains, and 30 safety categories, each evaluated with a case-specific rule-based verifier. Experiments with multiple CLI agents and model backends show that non-user attacks can consistently induce unsafe behavior, with distinct failure patterns across domains, attack methods, and scaffold-model pairings. Our findings suggest that agent safety depends not only on model-level alignment, but also on how agents interpret skills, trust workflow context, and act through executable environments.
Authors: Boyang Zhang, Zhiguo Wang, Ya-Feng Liu
Abstract: Score-based diffusion models demonstrate superior performance in generative tasks but encounter fundamental bottlenecks in inverse problems due to the analytical intractability of the time-dependent likelihood score. To bridge this gap, we propose a novel proximal-based generative modeling (PGM) framework that rigorously circumvents explicit likelihood evaluation. Our framework is built upon a theoretical equivalence between Gaussian convolution in diffusion processes and Moreau-Yosida regularization in nonsmooth optimization. This enables a new sampling mechanism driven by the proposed Moreau score, which admits a closed-form expression via proximal operators. Moreover, we introduce Moreau score matching to learn the proximal operators that rely solely on samples drawn from the prior distribution. Theoretically, PGM eliminates the early-stopping bias inherent in the score-based diffusion model and achieves non-asymptotic convergence. Experiments demonstrate that PGM significantly surpasses state-of-the-art methods in reconstruction quality and sampling time.
Authors: Jaeyung Kim, YoungJoon Yoo
Abstract: Vector Quantized Variational Autoencoder (VQ-VAE) has become a fundamental framework for learning discrete representations in image modeling. However, VQ-VAE models must tokenize entire images using a finite set of codebook vectors, and this capacity limitation restricts their ability to capture rich and diverse representations. In this paper, we propose ArcCosine Additive Margin VQ-VAE (ArcVQ-VAE), a novel vector quantization framework that introduces a spherical angular-margin prior (SAMP) for the codebook of a conventional VQ-VAE. The proposed SAMP consists of Ball-Bounded Norm Regularization, which constrains all codebook vectors within a time-dependent Euclidean ball, and ArcCosine Additive Margin Loss, which encourages greater angular separability among latent vectors. This formulation promotes more discriminative and uniformly dispersed latent representations within the constrained space, thereby improving effective latent-space coverage and leading to improved codebook utilization. Experimental results on standard image reconstruction and generation tasks show that ArcVQ-VAE achieves competitive performance against baseline models in terms of reconstruction accuracy, representation diversity, and sample quality. The code is available at: https://github.com/goals4292/ArcVQ-VAE
Authors: Kaitlyn Zhou, Federico Bianchi, Martijn Bartelds, Anna Pot, Yongchan Kwon, James Zou
Abstract: Artificially generated speech is increasingly embedded in everyday life. Voice cloning in particular enables applications where identity preservation is important, such as completing a recording, dubbing in a new language, or preserving the voices of individuals with speech loss. However, in our work, we find that despite the term, voice cloning does not faithfully ''clone'' an individual's voice. Instead, we find that widely-used voice cloning models systematically apply style transfer to source voices. As rated by human annotators, cloned voices are perceived as more authoritative, warm, customer-service-like, and human-like compared to their sources. Human annotators also report greater trust in cloned voices than source voices, and a greater willingness to disclose sensitive personal information to them. Our work furthermore shows that voice cloning leads to homogenization of speaker characteristics, as measured by reduced variance in accent, speaking rate, and the audio embedding space. Together, our results highlight a new set of limitations and risks of voice cloning technology and their potential impact on human behavior.
Authors: Qianhao Yuan, Jie Lou, Xing Yu, Hongyu Lin, Le Sun, Xianpei Han, Yaojie Lu
Abstract: Multimodal Large Language Models (MLLMs) still struggle with fine-grained visual understanding, where answers often depend on small but decisive evidence in the full image. We observe a regional-to-global perception gap: the same MLLM answers fine-grained questions more accurately when conditioned on evidence-centered crops than on the corresponding full images, suggesting that many failures stem from difficulty to focus on relevant evidence rather than insufficient local recognition ability. Motivated by this observation, we propose Vision-OPD (Vision On-Policy Distillation), a regional-to-global self-distillation framework that transfers the model's own privileged regional perception to its full-image policy. Vision-OPD instantiates two conditional policies from the same MLLM: a crop-conditioned teacher and a full-image-conditioned student. The student generates on-policy rollouts, and Vision-OPD minimizes token-level divergence between the teacher and student next-token distributions along these rollouts. This enables the model to internalize the benefit of visual zooming without external teacher models, ground-truth labels, reward verifiers, or inference-time tool use. Experiments on multiple fine-grained visual understanding benchmarks show that Vision-OPD models achieve competitive or superior performance against much larger open-source, closed-source, and "Thinking-with-Images" agentic models.
Authors: Guanyu Cui, Zhewei Wei, Kun He
Abstract: Many works make the eye-catching claim that Transformers are Turing-complete. However, the literature often conflates two distinct settings: (i) a fixed Transformer system setting, in which a fixed autoregressive Transformer is coupled with a fixed context-management method to process inputs of different lengths step by step, and (ii) a scaling-family setting, in which a family of different models (with increasing context-window length or numerical precision) is used to handle different input lengths. Existing proofs of Transformer Turing-completeness are frequently established in setting (ii), whereas real-world LLM deployment and the standard notion of Turing-completeness correspond more naturally to setting (i). In this paper, we first formalize the fixed-system setting, thereby providing a concrete characterization of how real-world LLMs operate. We then argue that results proved in the scaling-family setting provide theoretically meaningful resource bounds but do not establish Turing-completeness, thereby clarifying a common misinterpretation of existing results. Finally, we show that different context-management methods can yield sharply different computational power, and we advocate the position that context management is a central component that critically determines the computational power of real-world autoregressive Transformers.
Authors: Gioele Molinari, Florian Felten, Soheyl Massoudi, Mark Fuge
Abstract: Large Language Model (LLM) agents are increasingly applied to engineering design tasks, yet existing evaluation frameworks do not adequately address multi-agent systems that combine simulation, retrieval, and manufacturing preparation. We introduce a benchmark suite with three evaluation dimensions: (1) a workflow benchmark with seven prompt styles targeting distinct cognitive demands-including direct tool use, semantic disambiguation, conditional branching, and working-memory tasks; (2) a Retrieval-Augmented Generation (RAG) benchmark with gated scoring isolating retrieval contributions to parameter selection; and (3) an High Performance Computing (HPC) benchmark evaluating end-to-end ML training orchestration on a SLURM cluster. Alongside the benchmark we present EngiAI, a Multi-Agent System (MAS) reference implementation built on LangGraph that operationalizes the benchmark by coordinating seven specialized agents through a supervisor architecture, unifying topology optimization, document retrieval, HPC job orchestration, and 3D printer control. Across four LLM backends and two EngiBench problems, proprietary models achieve 96-97% average task completion on Beams2D, while open-source 4B-parameter models reach 55-78%, with clear generational improvement. Conditional branching proves most challenging, with task completion dropping to 20-53% for the conditional style on Photonics2D. RAG gating confirms near-perfect retrieval-augmented scores (about 1.0) versus near-zero without retrieval, validating the evaluation design. On HPC orchestration, one model completes all pipeline steps in 100% of runs while another drops to 50%, revealing that multi-step instruction following degrades over long-running workflows.
Authors: Colin Gaffney, Shutong Li, Daniel Ng, Anastasia Petrushkina, Niket Kumar, Adam Cogdell, Mridul Sahu, Yaning Liang, Nikhil Bansal, Justin Pan, Angel Mau, Abhishek Agrawal, Marco Berlot, Ruoxin Sang, Kiranbir Sodhia, Rakesh Iyer
Abstract: In a landscape of high-performance distributed ML systems, JAX has emerged as a framework of choice. However, JAX's modular design philosophy leaves it without a standardized checkpointing solution. In this paper, we introduce Orbax, a modular, JAX-native checkpointing library that abstracts the complexities of distributed accelerator systems while also providing flexibility for user-friendly checkpoint manipulations throughout the ML model lifecycle. We demonstrate performance exceeding comparable PyTorch competitors by up to 3.5$\times$ for saving and 2$\times$ for loading. The library is available at https://github.com/google/orbax.
Authors: Ruizhe Zhou, Xiaoyang Liu, Gaoyuan Du, Yi Zheng, Shouxi Ren, Deepayan Chakrabarti, Dengdu Jiang
Abstract: Deploying machine learning in regulated financial environments -- credit risk, fraud detection, and anti-money laundering -- exposes critical vulnerabilities in algorithmic reproducibility. While early financial ML addressed statistical challenges such as backtest overfitting, deep neural networks and Generative AI have introduced mechanical nondeterminism rooted in hardware and architecture. This survey provides a systems perspective on reproducibility failures across three modalities now dominant in financial AI: tabular models (post-hoc explanation variance), graph networks (stochastic sampling and temporal asynchrony), and LLM-based agentic workflows (batch-dependent divergence and trajectory drift). We supplement the literature analysis with first-party experiments on public financial datasets -- quantifying explanation rank instability in credit scoring, prediction flip rates in GNN-based fraud detection, and tensor-parallel-induced output divergence in LLM entity extraction. We propose a layered evaluation framework linking modality-specific metrics (RBO, D_cos, TDI, PSD) to audit readiness, and empirically validate the complementarity of logit-level and semantic-level determinism measures.
Authors: Divit Rawal
Abstract: We study denoising score matching (DSM) when the latent distribution is supported on a smooth embedded manifold $M \subset \mathbb{R}^D$. Under ambient Gaussian corruption, the tangent denoising target contains a singular normal-fiber noise channel whose variance diverges as $d/\sigma^2$ as $\sigma \to 0^+$. We show that conditioning on the nearest-point projection $\pi(X)$ canonically removes this singularity: the resulting conditional expectation is the unique $L^2$-optimal Rao-Blackwellized predictor of the tangent DSM target among all estimators depending only on the projected observation $\pi(X)$. We then compute the small-noise expansion of this canonical target and show that it equals the intrinsic Riemannian score up to an explicit order-$\sigma^2$ correction that decomposes into an intrinsic Tweedie term and an extrinsic curvature term involving the Weingarten and Ricci operators. In the flat case, the construction reduces exactly to ordinary lower-dimensional Gaussian DSM, while on $S^d$ the extrinsic correction simplifies to the scalar factor $(1-d/2)\nabla_M \log q$; this extrinsic $\sigma^2$ correction cancels identically on $S^2$, though the intrinsic Tweedie term remains.
Authors: Ali Rouzbayani, Bidhan Roy, Marcos Villagra, Zhiying Jiang
Abstract: We present Paris 2.0, the first video generation model pre-trained through decentralized computation. Its training recipe builds upon Paris 1.0 (arXiv:2510.03434), the first ever open-weight Decentralized Diffusion Model (DDM), which showed that image generation can be trained without a monolithic GPU cluster. However, temporally coherent video generation had remained an open problem under decentralized training, and Paris 2.0 closes it. In low-resolution text-to-video training, against a monolithic model trained on the same data under a matched total compute budget, Paris 2.0 cuts Frechet Video Distance (FVD) from 561.04 to 279.01, a ~2.0x improvement, and lifts CLIP text-video similarity and aesthetic score.
Authors: Zihang Zhou, Ziqian Ren, Yukai Wu, Yingjie Xiong, Wei Zhou, Chao Peng, Dong Zhang, Bingheng Yan, Xuanhe Zhou, Fan Wu
Abstract: Functionality-correct repository setup aims to configure execution environments (e.g., dependencies, build scripts) to successfully execute a repository's documented features. It presents significant challenges due to diverse, repository-specific failures, including dependency incompatibilities, missing toolchains, incomplete installations, and verification-strategy mismatches. Existing LLM agents struggle to robustly resolve these issues, specifically failing to support (1) cross-repository experience transfer, (2) multi-step trial-and-repair under non-invertible state changes, and (3) robust verification of setup outcomes to distinguish setup-induced failures from repository bugs. To address this, we introduce SetupX, an experiential learning-based setup framework. First, we construct a Self-Evolving Experience Representation (XPU), a dual-modality knowledge unit encoding setup signals, textual guidance, executable actions to dynamically transfer verified environment fixes to unseen repositories. Second, we employ Experience-Augmented Speculative Execution backed by a LIFO Docker snapshot stack, enabling the agent to proactively trial fixes and safely roll back to known-good states. Third, we introduce a Prosecutor-Judge Verification Protocol that separates evidence collection from final judgment, enabling more reliable setup verification beyond superficial build-time metrics. Evaluation results on carefully-crafted benchmarks show SetupX achieves highest performance (e.g., 92% pass rate) and outperforms the strongest baseline by over 19%. Crucially, SetupX excels in complex multi-repository setup requiring coordinating multiple interconnected services across different containers. The code repository is available at https://github.com/OpenDataBox/SetupX.
Authors: Funing Fu, Tenghui Wang, Guanyu Zhou, Junyong Cen, Qichao Zhu
Abstract: Flow matching with clean-data prediction has shown that regressing the clean point can exploit low-dimensional structure more effectively than predicting an ambient noised quantity. We ask whether this principle remains useful after images are mapped into a learned latent space, where compression has already removed much of the raw pixel variability. We introduce JLT, a 130M latent diffusion Transformer over frozen FLUX.2 VAE codes, and compare clean-latent prediction with a matched velocity-prediction DiT under the same representation, backbone, and training settings. Although the three variables x, epsilon, and v are linearly convertible for a fixed corruption time, a local Gaussian analysis shows that velocity regression inherits an isotropic target-covariance floor and amplifies low-variance latent directions, while clean prediction damps them. On ImageNet 256 x 256, JLT-B/1 obtains FID-50K 2.50 with classifier-free guidance, with a large matched-target gap over velocity prediction. These results suggest that prediction targets in latent diffusion are representation-dependent geometric choices, rather than interchangeable algebraic parameterizations.
Authors: Shihao Wang, Shilong Liu, Yuanguo Kuang, Xinyu Wei, Yangzhou Liu, Zhiqi Li, Yunze Man, Guo Chen, Andrew Tao, Guilin Liu, Jan Kautz, Lei Zhang, Zhiding Yu
Abstract: Vision-language models (VLMs) commonly formulate visual grounding and detection as a coordinate-token generation problem, serializing each 2D box into multiple 1D tokens that are learned and decoded largely independently. This token-by-token decoding mismatches the coupled structure of box geometry and creates a practical inference bottleneck due to strictly sequential generation. We introduce LocateAnything, a unified generative grounding and detection framework based on Parallel Box Decoding (PBD). By decoding geometric elements such as bounding boxes and points as atomic units in a single step, LocateAnything preserves intra-box geometric coherence and unlocks substantial parallelism. We show that PBD improves both decoding throughput and localization accuracy. We further develop a scalable data engine and curate LocateAnything-Data, a large-scale dataset with more than 138 million training samples, substantially increasing data diversity for high-precision localization. Extensive evaluations show that LocateAnything advances the speed-accuracy frontier, achieving significantly higher decoding throughput while improving high-IoU localization quality across diverse benchmarks. The results highlight the complementary benefits of Parallel Box Decoding and large-scale training data in enabling efficient and precise unified visual grounding and detection.