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arXiv:2408.01857v4 Announce Type: replace-cross Abstract: We develop an Euler-type method to predict the evolution of a time-dependent probability measure without explicitly learning an operator that governs its evolution. We use linearized optimal transport theory to prove that the measure-valued analog of Euler's method is first-order accurate when the measure evolves ``smoothly.'' In applications of interest, however, the measure is an empirical distribution of a system of stochastic particles whose behavior is only accessible through an agent-based micro-scale simulation. In such cases, this empirical measure does not evolve smoothly because the individual particles move chaotically on short time scales. However, we can still perform our Euler-type method, and when the particles' collective distribution approximates a measure that \emph{does} evolve smoothly, we observe that the algorithm still accurately predicts this collective behavior over relatively large Euler steps, thus reducing the number of micro-scale steps required to step forward in time. In this way, our algorithm provides a ``macro-scale timestepper'' that requires less micro-scale data to still maintain accuracy, which we demonstrate with three illustrative examples: a biological agent-based model, a model of a PDE, and a model of Langevin dynamics.

arXiv:2405.10264v2 Announce Type: replace-cross Abstract: Parametrized and random unitary (or orthogonal) $n$-qubit circuits play a central role in quantum information. As such, one could naturally assume that circuits implementing symplectic transformations would attract similar attention. However, this is not the case, as $\mathbb{SP} d/2)$ -- the group of $d\times d$ unitary symplectic matrices -- has thus far been overlooked. In this work, we aim at starting to fill this gap. We begin by presenting a universal set of generators $\mathcal{G}$ for the symplectic algebra $\mathfrak{sp}(d/2)$, consisting of one- and two-qubit Pauli operators acting on neighboring sites in a one-dimensional lattice. Here, we uncover two critical differences between such set, and equivalent ones for unitary and orthogonal circuits. Namely, we find that the operators in $\mathcal{G}$ cannot generate arbitrary local symplectic unitaries and that they are not translationally invariant. We then review the Schur-Weyl duality between the symplectic group and the Brauer algebra, and use tools from Weingarten calculus to prove that Pauli measurements at the output of Haar random symplectic circuits can converge to Gaussian processes. As a by-product, such analysis provides us with concentration bounds for Pauli measurements in circuits that form $t$-designs over $\mathbb{SP}(d/2)$. To finish, we present tensor-network tools to analyze shallow random symplectic circuits, and we use these to numerically show that computational-basis measurements anti-concentrate at logarithmic depth.

arXiv:2405.03472v4 Announce Type: replace-cross Abstract: Motivated by understanding the behavior of the Alternating Mirror Descent (AMD) algorithm for bilinear zero-sum games, we study the discretization of continuous-time Hamiltonian flow via the symplectic Euler method. We provide a framework for analysis using results from Hamiltonian dynamics, Lie algebra, and symplectic numerical integrators, with an emphasis on the existence and properties of a conserved quantity, the modified Hamiltonian (MH), for the symplectic Euler method. We compute the MH in closed-form when the original Hamiltonian is a quadratic function, and show that it generally differs from the other conserved quantity known previously in that case. We derive new error bounds on the MH when truncated at orders in the stepsize in terms of the number of iterations, $K$, and use these bounds to show an improved $\mathcal{O}(K^{1/5})$ total regret bound and an $\mathcal{O}(K^{-4/5})$ duality gap of the average iterates for AMD. Finally, we propose a conjecture which, if true, would imply that the total regret for AMD scales as $\mathcal{O}\left(K^{\varepsilon}\right)$ and the duality gap of the average iterates as $\mathcal{O}\left(K^{-1+\varepsilon}\right)$ for any $\varepsilon>0$, and we can take $\varepsilon=0$ upon certain convergence conditions for the MH.

arXiv:2511.11472v2 Announce Type: replace Abstract: Conformal prediction constructs a set of labels instead of a single point prediction, while providing a probabilistic coverage guarantee. Beyond the coverage guarantee, adaptiveness to example difficulty is an important property. It means that the method should produce larger prediction sets for more difficult examples, and smaller ones for easier examples. Existing evaluation methods for adaptiveness typically analyze coverage rate violation or average set size across bins of examples grouped by difficulty. However, these approaches often suffer from imbalanced binning, which can lead to inaccurate estimates of coverage or set size. To address this issue, we propose a binning method that leverages input transformations to sort examples by difficulty, followed by uniform-mass binning. Building on this binning, we introduce two metrics to better evaluate adaptiveness. These metrics provide more reliable estimates of coverage rate violation and average set size due to balanced binning, leading to more accurate adaptivity assessment. Through experiments, we demonstrate that our proposed metric correlates more strongly with the desired adaptiveness property compared to existing ones. Furthermore, motivated by our findings, we propose a new adaptive prediction set algorithm that groups examples by estimated difficulty and applies group-conditional conformal prediction. This allows us to determine appropriate thresholds for each group. Experimental results on both (a) an Image Classification (ImageNet) (b) a medical task (visual acuity prediction) show that our method outperforms existing approaches according to the new metrics.

arXiv:2511.10809v2 Announce Type: replace Abstract: Linear Predictive Clustering (LPC) partitions samples based on shared linear relationships between feature and target variables, with numerous applications including marketing, medicine, and education. Greedy optimization methods, commonly used for LPC, alternate between clustering and linear regression but lack global optimality. While effective for separable clusters, they struggle in non-separable settings where clusters overlap in feature space. In an alternative constrained optimization paradigm, Bertsimas and Shioda (2007) formulated LPC as a Mixed-Integer Program (MIP), ensuring global optimality regardless of separability but suffering from poor scalability. This work builds on the constrained optimization paradigm to introduce two novel approaches that improve the efficiency of global optimization for LPC. By leveraging key theoretical properties of separability, we derive near-optimal approximations with provable error bounds, significantly reducing the MIP formulation's complexity and improving scalability. Additionally, we can further approximate LPC as a Quadratic Pseudo-Boolean Optimization (QPBO) problem, achieving substantial computational improvements in some settings. Comparative analyses on synthetic and real-world datasets demonstrate that our methods consistently achieve near-optimal solutions with substantially lower regression errors than greedy optimization while exhibiting superior scalability over existing MIP formulations.

arXiv:2511.10213v2 Announce Type: replace Abstract: Out-of-context misinformation (OOC) is a low-cost form of misinformation in news reports, which refers to place authentic images into out-of-context or fabricated image-text pairings. This problem has attracted significant attention from researchers in recent years. Current methods focus on assessing image-text consistency or generating explanations. However, these approaches assume that the training and test data are drawn from the same distribution. When encountering novel news domains, models tend to perform poorly due to the lack of prior knowledge. To address this challenge, we propose \textbf{VDT} to enhance the domain adaptation capability for OOC misinformation detection by learning domain-invariant features and test-time training mechanisms. Domain-Invariant Variational Align module is employed to jointly encodes source and target domain data to learn a separable distributional space domain-invariant features. For preserving semantic integrity, we utilize domain consistency constraint module to reconstruct the source and target domain latent distribution. During testing phase, we adopt the test-time training strategy and confidence-variance filtering module to dynamically updating the VAE encoder and classifier, facilitating the model's adaptation to the target domain distribution. Extensive experiments conducted on the benchmark dataset NewsCLIPpings demonstrate that our method outperforms state-of-the-art baselines under most domain adaptation settings.

arXiv:2511.10089v2 Announce Type: replace Abstract: Text-to-image (T2I) generative models are largely used in AI-powered real-world applications and value creation. However, their strategic deployment raises critical concerns for responsible AI management, particularly regarding the reproduction and amplification of race- and gender-related stereotypes that can undermine organizational ethics. In this work, we investigate whether such societal biases are systematically encoded within the pretrained latent spaces of state-of-the-art T2I models. We conduct an empirical study across the five most popular open-source models, using ten neutral, profession-related prompts to generate 100 images per profession, resulting in a dataset of 5,000 images evaluated by diverse human assessors representing different races and genders. We demonstrate that all five models encode and amplify pronounced societal skew: caregiving and nursing roles are consistently feminized, while high-status professions such as corporate CEO, politician, doctor, and lawyer are overwhelmingly represented by males and mostly White individuals. We further identify model-specific patterns, such as QWEN-Image's near-exclusive focus on East Asian outputs, Kandinsky's dominance of White individuals, and SDXL's comparatively broader but still biased distributions. These results provide critical insights for AI project managers and practitioners, enabling them to select equitable AI models and customized prompts that generate images in alignment with the principles of responsible AI. We conclude by discussing the risks of these biases and proposing actionable strategies for bias mitigation in building responsible GenAI systems. The code and Data Repository: https://github.com/Sufianlab/T2IBias

arXiv:2511.09901v2 Announce Type: replace Abstract: Modern deep neural networks rely heavily on massive model weights and training samples, incurring substantial computational costs. Weight pruning and coreset selection are two emerging paradigms proposed to improve computational efficiency. In this paper, we first explore the interplay between redundant weights and training samples through a transparent analysis: redundant samples, particularly noisy ones, cause model weights to become unnecessarily overtuned to fit them, complicating the identification of irrelevant weights during pruning; conversely, irrelevant weights tend to overfit noisy data, undermining coreset selection effectiveness. To further investigate and harness this interplay in deep learning, we develop a Simultaneous Weight and Sample Tailoring mechanism (SWaST) that alternately performs weight pruning and coreset selection to establish a synergistic effect in training. During this investigation, we observe that when simultaneously removing a large number of weights and samples, a phenomenon we term critical double-loss can occur, where important weights and their supportive samples are mistakenly eliminated at the same time, leading to model instability and nearly irreversible degradation that cannot be recovered in subsequent training. Unlike classic machine learning models, this issue can arise in deep learning due to the lack of theoretical guarantees on the correctness of weight pruning and coreset selection, which explains why these paradigms are often developed independently. We mitigate this by integrating a state preservation mechanism into SWaST, enabling stable joint optimization. Extensive experiments reveal a strong synergy between pruning and coreset selection across varying prune rates and coreset sizes, delivering accuracy boosts of up to 17.83% alongside 10% to 90% FLOPs reductions.

arXiv:2511.09832v2 Announce Type: replace Abstract: Learning intersections of halfspaces is a central problem in Computational Learning Theory. Even for just two halfspaces, it remains a major open question whether learning is possible in polynomial time with respect to the margin $\gamma$ of the data points and their dimensionality $d$. The best-known algorithms run in quasi-polynomial time $d^{O(\log(1/\gamma))}$, and it has been shown that this complexity is unavoidable for any algorithm relying solely on correlational statistical queries (CSQ). In this work, we introduce a novel algorithm that provably circumvents the CSQ hardness barrier. Our approach applies to a broad class of distributions satisfying a natural, previously studied, factorizability assumption. Factorizable distributions lie between distribution-specific and distribution-free settings, and significantly extend previously known tractable cases. Under these distributions, we show that CSQ-based methods still require quasipolynomial time even for weakly learning, whereas our algorithm achieves $poly(d,1/\gamma)$ time by leveraging more general statistical queries (SQ), establishing a strong separation between CSQ and SQ for this simple realizable PAC learning problem. Our result is grounded in a rigorous analysis utilizing a novel duality framework that characterizes the moment tensor structure induced by the marginal distributions. Building on these structural insights, we propose new, efficient learning algorithms. These algorithms combine a refined variant of Jennrich's Algorithm with PCA over random projections of the moment tensor, along with a gradient-descent-based non-convex optimization framework.

arXiv:2511.09754v2 Announce Type: replace Abstract: Financial markets are inherently non-stationary: structural breaks and macroeconomic regime shifts often cause forecasting models to fail when deployed out of distribution (OOD). Conventional multimodal approaches that simply fuse numerical indicators and textual sentiment rarely adapt to such shifts. We introduce macro-contextual retrieval, a retrieval-augmented forecasting framework that grounds each prediction in historically analogous macroeconomic regimes. The method jointly embeds macro indicators (e.g., CPI, unemployment, yield spread, GDP growth) and financial news sentiment in a shared similarity space, enabling causal retrieval of precedent periods during inference without retraining. Trained on seventeen years of S&P 500 data (2007-2023) and evaluated OOD on AAPL (2024) and XOM (2024), the framework consistently narrows the CV to OOD performance gap. Macro-conditioned retrieval achieves the only positive out-of-sample trading outcomes (AAPL: PF=1.18, Sharpe=0.95; XOM: PF=1.16, Sharpe=0.61), while static numeric, text-only, and naive multimodal baselines collapse under regime shifts. Beyond metric gains, retrieved neighbors form interpretable evidence chains that correspond to recognizable macro contexts, such as inflationary or yield-curve inversion phases, supporting causal interpretability and transparency. By operationalizing the principle that "financial history may not repeat, but it often rhymes," this work demonstrates that macro-aware retrieval yields robust, explainable forecasts under distributional change. All datasets, models, and source code are publicly available.

arXiv:2511.09598v2 Announce Type: replace Abstract: Many real-world applications require solving families of expensive multi-objective optimization problems~(EMOPs) under varying operational conditions. This gives rise to parametric expensive multi-objective optimization problems (P-EMOPs) where each task parameter defines a distinct optimization instance. Current multi-objective Bayesian optimization methods have been widely used for finding finite sets of Pareto optimal solutions for individual tasks. However, P-EMOPs present a fundamental challenge: the continuous task parameter space can contain infinite distinct problems, each requiring separate expensive evaluations. This demands learning an inverse model that can directly predict optimized solutions for any task-preference query without expensive re-evaluation. This paper introduces the first parametric multi-objective Bayesian optimizer that learns this inverse model by alternating between (1) acquisition-driven search leveraging inter-task synergies and (2) generative solution sampling via conditional generative models. This approach enables efficient optimization across related tasks and finally achieves direct solution prediction for unseen parameterized EMOPs without additional expensive evaluations. We theoretically justify the faster convergence by leveraging inter-task synergies through task-aware Gaussian processes. Meanwhile, empirical studies in synthetic and real-world benchmarks further verify the effectiveness of our alternating framework.

arXiv:2511.09512v2 Announce Type: replace Abstract: Exploring how genetic sequences shape phenotypes is a fundamental challenge in biology and a key step toward scalable, hypothesis-driven experimentation. The task is complicated by the large modality gap between sequences and phenotypes, as well as the pleiotropic nature of gene-phenotype relationships. Existing sequence-based efforts focus on the degree to which variants of specific genes alter a limited set of phenotypes, while general gene knockout induced phenotype abnormality prediction methods heavily rely on curated genetic information as inputs, which limits scalability and generalizability. As a result, the task of broadly predicting the presence of multiple phenotype abnormalities under gene knockout directly from gene sequences remains underexplored. We introduce GenePheno, the first interpretable multi-label prediction framework that predicts knockout induced phenotypic abnormalities from gene sequences. GenePheno employs a contrastive multi-label learning objective that captures inter-phenotype correlations, complemented by an exclusive regularization that enforces biological consistency. It further incorporates a gene function bottleneck layer, offering human interpretable concepts that reflect functional mechanisms behind phenotype formation. To support progress in this area, we curate four datasets with canonical gene sequences as input and multi-label phenotypic abnormalities induced by gene knockouts as targets. Across these datasets, GenePheno achieves state-of-the-art gene-centric $F_{\text{max}}$ and phenotype-centric AUC, and case studies demonstrate its ability to reveal gene functional mechanisms.

arXiv:2511.09144v2 Announce Type: replace Abstract: Gaussian process regression (GPR) is a popular nonparametric Bayesian method that provides predictive uncertainty estimates and is widely used in safety-critical applications. While prior research has introduced various uncertainty bounds, most existing approaches require access to specific input features, and rely on posterior mean and variance estimates or the tuning of hyperparameters. These limitations hinder robustness and fail to capture the model's global behavior in expectation. To address these limitations, we propose a chaining-based framework for estimating upper and lower bounds on the expected extreme values over unseen data, without requiring access to specific input features. We provide kernel-specific refinements for commonly used kernels such as RBF and Mat\'ern, in which our bounds are tighter than generic constructions. We further improve numerical tightness by avoiding analytical relaxations. In addition to global estimation, we also develop a novel method for local uncertainty quantification at specified inputs. This approach leverages chaining geometry through partition diameters, adapting to local structures without relying on posterior variance scaling. Our experimental results validate the theoretical findings and demonstrate that our method outperforms existing approaches on both synthetic and real-world datasets.

arXiv:2511.08229v5 Announce Type: replace Abstract: Time series forecasting is critical for decision-making across dynamic domains such as energy, finance, transportation, and cloud computing. However, real-world time series often exhibit non-stationarity, including temporal distribution shifts and spectral variability, which pose significant challenges for long-term time series forecasting. In this paper, we propose DTAF, a dual-branch framework that addresses non-stationarity in both the temporal and frequency domains. For the temporal domain, the Temporal Stabilizing Fusion (TFS) module employs a non-stationary mix of experts (MOE) filter to disentangle and suppress temporal non-stationary patterns while preserving long-term dependencies. For the frequency domain, the Frequency Wave Modeling (FWM) module applies frequency differencing to dynamically highlight components with significant spectral shifts. By fusing the complementary outputs of TFS and FWM, DTAF generates robust forecasts that adapt to both temporal and frequency domain non-stationarity. Extensive experiments on real-world benchmarks demonstrate that DTAF outperforms state-of-the-art baselines, yielding significant improvements in forecasting accuracy under non-stationary conditions. All codes are available at https://github.com/PandaJunk/DTAF.

arXiv:2511.09828v2 Announce Type: replace Abstract: Split Federated Learning is a system-efficient federated learning paradigm that leverages the rich computing resources at a central server to train model partitions. Data heterogeneity across silos, however, presents a major challenge undermining the convergence speed and accuracy of the global model. This paper introduces Step-wise Momentum Fusion (SMoFi), an effective and lightweight framework that counteracts gradient divergence arising from data heterogeneity by synchronizing the momentum buffers across server-side optimizers. To control gradient divergence over the training process, we design a staleness-aware alignment mechanism that imposes constraints on gradient updates of the server-side submodel at each optimization step. Extensive validations on multiple real-world datasets show that SMoFi consistently improves global model accuracy (up to 7.1%) and convergence speed (up to 10.25$\times$). Furthermore, SMoFi has a greater impact with more clients involved and deeper learning models, making it particularly suitable for model training in resource-constrained contexts.

arXiv:2511.07904v2 Announce Type: replace Abstract: Reinforcement learning (RL) has been recognized as a powerful tool for robot control tasks. RL typically employs reward functions to define task objectives and guide agent learning. However, since the reward function serves the dual purpose of defining the optimal goal and guiding learning, it is challenging to design the reward function manually, which often results in a suboptimal task representation. To tackle the reward design challenge in RL, inspired by the satisficing theory, we propose a Test-driven Reinforcement Learning (TdRL) framework. In the TdRL framework, multiple test functions are used to represent the task objective rather than a single reward function. Test functions can be categorized as pass-fail tests and indicative tests, each dedicated to defining the optimal objective and guiding the learning process, respectively, thereby making defining tasks easier. Building upon such a task definition, we first prove that if a trajectory return function assigns higher returns to trajectories closer to the optimal trajectory set, maximum entropy policy optimization based on this return function will yield a policy that is closer to the optimal policy set. Then, we introduce a lexicographic heuristic approach to compare the relative distance relationship between trajectories and the optimal trajectory set for learning the trajectory return function. Furthermore, we develop an algorithm implementation of TdRL. Experimental results on the DeepMind Control Suite benchmark demonstrate that TdRL matches or outperforms handcrafted reward methods in policy training, with greater design simplicity and inherent support for multi-objective optimization. We argue that TdRL offers a novel perspective for representing task objectives, which could be helpful in addressing the reward design challenges in RL applications.

arXiv:2511.07892v2 Announce Type: replace Abstract: Empirical scaling laws describe how test loss and other performance metrics depend on model size, dataset size, and compute. While such laws are consistent within specific regimes, apparently distinct scaling behaviors have been reported for related settings such as model compression. Motivated by recent progress in spectral analyses of neural representations, this paper develops a \emph{generalized spectral framework} that unifies learning dynamics and compression phenomena under a common functional ansatz. We generalize the spectral evolution function from the linear kernel form $g(\lambda t)=\lambda t$ to an asymptotically polynomial function $g(\lambda,t;\beta)$, characterized by an effective spectral--temporal elasticity $\rho(\beta)$. This framework recovers existing lazy and feature-learning theories as special cases and yields an invariant relation between learning and compression

arXiv:2511.07046v3 Announce Type: replace Abstract: Deploying continuous-control reinforcement learning policies on embedded hardware requires meeting tight latency and power budgets. Small FPGAs can deliver these, but only if costly floating point pipelines are avoided. We study quantization-aware training (QAT) of policies for integer inference and we present a learning-to-hardware pipeline that automatically selects low-bit policies and synthesizes them to an Artix-7 FPGA. Across five MuJoCo tasks, we obtain policy networks that are competitive with full precision (FP32) policies but require as few as 3 or even only 2 bits per weight, and per internal activation value, as long as input precision is chosen carefully. On the target hardware, the selected policies achieve inference latencies on the order of microseconds and consume microjoules per action, favorably comparing to a quantized reference. Last, we observe that the quantized policies exhibit increased input noise robustness compared to the floating-point baseline.

arXiv:2511.06356v2 Announce Type: replace Abstract: Chemical reaction prediction remains a fundamental challenge in organic chemistry, where existing machine learning models face two critical limitations: sensitivity to input permutations (molecule/atom orderings) and inadequate modeling of substructural interactions governing reactivity. These shortcomings lead to inconsistent predictions and poor generalization to real-world scenarios. To address these challenges, we propose ReaDISH, a novel reaction prediction model that learns permutation-invariant representations while incorporating interaction-aware features. It introduces two innovations: (1) symmetric difference shingle encoding, which extends the differential reaction fingerprint (DRFP) by representing shingles as continuous high-dimensional embeddings, capturing structural changes while eliminating order sensitivity; and (2) geometry-structure interaction attention, a mechanism that models intra- and inter-molecular interactions at the shingle level. Extensive experiments demonstrate that ReaDISH improves reaction prediction performance across diverse benchmarks. It shows enhanced robustness with an average improvement of 8.76% on R$^2$ under permutation perturbations.

arXiv:2511.04774v2 Announce Type: replace Abstract: Large-scale networked services rely on deep soft-ware stacks and microservice orchestration, which increase instruction footprints and create frontend stalls that inflate tail latency and energy. We revisit instruction prefetching for these cloud workloads and present a design that aligns with SLO driven and self optimizing systems. Building on the Entangling Instruction Prefetcher (EIP), we introduce a Compressed Entry that captures up to eight destinations around a base using 36 bits by exploiting spatial clustering, and a Hierarchical Metadata Storage scheme that keeps only L1 resident and frequently queried entries on chip while virtualizing bulk metadata into lower levels. We further add a lightweight Online ML Controller that scores prefetch profitability using context features and a bandit adjusted threshold. On data center applications, our approach preserves EIP like speedups with smaller on chip state and improves efficiency for networked services in the ML era.