Authors: Peiran Li, Jiashuo Sun, Fangzhou Lin, Shuo Xing, Tianfu Fu, Suofei Feng, Chaoqun Ni, Zhengzhong Tu
Abstract: Autonomous LLM agents fail because long-horizon policy remains implicit in model weights and transcripts, while safety is retrofitted post hoc. We propose Traversal-as-Policy: distill sandboxed OpenHands execution logs into a single executable Gated Behavior Tree (GBT) and treat tree traversal -- rather than unconstrained generation -- as the control policy whenever a task is in coverage. Each node encodes a state-conditioned action macro mined and merge-checked from successful trajectories; macros implicated by unsafe traces attach deterministic pre-execution gates over structured tool context and bounded history, updated under experience-grounded monotonicity so previously rejected unsafe contexts cannot be re-admitted. At runtime, a lightweight traverser matches the base model's intent to child macros, executes one macro at a time under global and node-local gating, and when stalled performs risk-aware shortest-path recovery to a feasible success leaf; the visited path forms a compact spine memory that replaces transcript replay. Evaluated in a unified OpenHands sandbox on 15+ software, web, reasoning, and safety/security benchmarks, GBT improves success while driving violations toward zero and reducing cost. On SWE-bench Verified (Protocol A, 500 issues), GBT-SE raises success from 34.6% to 73.6%, reduces violations from 2.8% to 0.2%, and cuts token/character usage from 208k/820k to 126k/490k; with the same distilled tree, 8B executors more than double success on SWE-bench Verified (14.0%58.8%) and WebArena (9.1%37.3%).
Authors: Fengxiang Nie, Yasuhiro Suzuki
Abstract: Data-driven surrogate models improve the efficiency of simulating continuous dynamical systems, yet their autoregressive rollouts are often limited by instability and spectral blow-up. While global regularization techniques can enforce contractive dynamics, they uniformly damp high-frequency features, introducing a contraction-dissipation dilemma. Furthermore, long-horizon trajectory optimization methods that explicitly correct drift are bottlenecked by memory constraints. In this work, we propose Jacobian-Adaptive Weighting for Stability (JAWS), a probabilistic regularization strategy designed to mitigate these limitations. By framing operator learning as Maximum A Posteriori (MAP) estimation with spatially heteroscedastic uncertainty, JAWS dynamically modulates the regularization strength based on local physical complexity. This allows the model to enforce contraction in smooth regions to suppress noise, while relaxing constraints near singular features to preserve gradients, effectively realizing a behavior similar to numerical shock-capturing schemes. Experiments demonstrate that this spatially-adaptive prior serves as an effective spectral pre-conditioner, which reduces the base operator's burden of handling high-frequency instabilities. This reduction enables memory-efficient, short-horizon trajectory optimization to match or exceed the long-term accuracy of long-horizon baselines. Evaluated on the 1D viscous Burgers' equation, our hybrid approach improves long-term stability, shock fidelity, and out-of-distribution generalization while reducing training computational costs.
Authors: Chengwei Wu
Abstract: We introduce VDCook: a self-evolving video data operating system, a configurable video data construction platform for researchers and vertical domain teams. Users initiate data requests via natural language queries and adjustable parameters (scale, retrieval-synthesis ratio, quality threshold). The system automatically performs query optimization, concurrently running real video retrieval and controlled synthesis modules. It ultimately generates in-domain data packages with complete provenance and metadata, along with reproducible Notebooks. Unlike traditional static, one-time-built datasets, VDCook enables continuous updates and domain expansion through its automated data ingestion mechanism based on MCP (Model Context Protocol)\cite{mcp2024anthropic}, transforming datasets into dynamically evolving open ecosystems. The system also provides multi-dimensional metadata annotation (scene segmentation, motion scoring, OCR ratio, automatic captioning, etc.), laying the foundation for flexible subsequent data `cooking' and indexing\cite{vlogger}. This platform aims to significantly lower the barrier to constructing specialized video training datasets through infrastructure-level solutions, while supporting community contributions and a governance-enabled data expansion paradigm. \textbf{Project demo:} https://screenapp.io/app/v/WP0SvffgsH
Authors: Kazuhisa Nakasho
Abstract: Integer sequences in the OEIS span values from single-digit constants to astronomical factorials and exponentials, making prediction challenging for standard tokenised models that cannot handle out-of-vocabulary values or exploit periodic arithmetic structure. We present IntSeqBERT, a dual-stream Transformer encoder for masked integer-sequence modelling on OEIS. Each sequence element is encoded along two complementary axes: a continuous log-scale magnitude embedding and sin/cos modulo embeddings for 100 residues (moduli $2$--$101$), fused via FiLM. Three prediction heads (magnitude regression, sign classification, and modulo prediction for 100 moduli) are trained jointly on 274,705 OEIS sequences. At the Large scale (91.5M parameters), IntSeqBERT achieves 95.85% magnitude accuracy and 50.38% Mean Modulo Accuracy (MMA) on the test set, outperforming a standard tokenised Transformer baseline by $+8.9$ pt and $+4.5$ pt, respectively. An ablation removing the modulo stream confirms it accounts for $+15.2$ pt of the MMA gain and contributes an additional $+6.2$ pt to magnitude accuracy. A probabilistic Chinese Remainder Theorem (CRT)-based Solver converts the model's predictions into concrete integers, yielding a 7.4-fold improvement in next-term prediction over the tokenised-Transformer baseline (Top-1: 19.09% vs. 2.59%). Modulo spectrum analysis reveals a strong negative correlation between Normalised Information Gain (NIG) and Euler's totient ratio $\varphi(m)/m$ ($r = -0.851$, $p < 10^{-28}$), providing empirical evidence that composite moduli capture OEIS arithmetic structure more efficiently via CRT aggregation.
Authors: Tomoki Yamagami, Mikio Hasegawa, Takatomo Mihana, Ryoichi Horisaki, Atsushi Uchida
Abstract: Decision makers exploiting photonic chaotic dynamics obtained by semiconductor lasers provide an ultrafast approach to solving multi-armed bandit problems by using a temporal optical signal as the driving source for sequential decisions. In such systems, the sampling interval of the chaotic waveform shapes the temporal correlation of the resulting time series, and experiments have reported that decision accuracy depends strongly on this autocorrelation property. However, it remains unclear whether the benefit of autocorrelation can be explained by a minimal mathematical model. Here, we analyze a stochastic-process model of the time-series-based decision making using the tug-of-war principle for solving the two-armed bandit problem, where the threshold and a two-valued Markov signal evolve jointly. Numerical results reveal an environment-dependent structure: negative (positive) autocorrelation is optimal in reward-rich (reward-poor) environments. These findings show that negative autocorrelation of the time series is advantageous when the sum of the winning probabilities is more than $1$, whereas positive autocorrelation is useful when the sum of the winning probabilities is less than $1$. Moreover, the performance is independent of autocorrelation if the sum of the winning probabilities equals $1$, which is mathematically clarified. This study paves the way for improving the decision-making scheme for reinforcement learning applications in wireless communications and robotics.
Authors: Rares Grozavescu, Pengyu Zhang, Mark Girolami, Etienne Meunier
Abstract: We investigate the Continuous-Time Koopman Autoencoder (CT-KAE) as a lightweight surrogate model for long-horizon ocean state forecasting in a two-layer quasi-geostrophic (QG) system. By projecting nonlinear dynamics into a latent space governed by a linear ordinary differential equation, the model enforces structured and interpretable temporal evolution while enabling temporally resolution-invariant forecasting via a matrix exponential formulation. Across 2083-day rollouts, CT-KAE exhibits bounded error growth and stable large-scale statistics, in contrast to autoregressive Transformer baselines which exhibit gradual error amplification and energy drift over long rollouts. While fine-scale turbulent structures are partially dissipated, bulk energy spectra, enstrophy evolution, and autocorrelation structure remain consistent over long horizons. The model achieves orders-of-magnitude faster inference compared to the numerical solver, suggesting that continuous-time Koopman surrogates offer a promising backbone for efficient and stable hybrid physical-machine learning climate models.
Authors: Xupeng Chen, Shuchen Meng
Abstract: Generative AI compresses within-task skill differences while shifting economic value toward concentrated complementary assets, creating an apparent paradox: the technology that equalizes individual performance may widen aggregate inequality. We formalize this tension in a task-based model with endogenous education, employer screening, and heterogeneous firms. The model yields two regimes whose boundary depends on AI's technology structure (proprietary vs.\ commodity) and labor market institutions (rent-sharing elasticity, asset concentration). A scenario analysis via Method of Simulated Moments, matching six empirical targets, disciplines the model's quantitative magnitudes; a sensitivity decomposition reveals that the five non-$\Delta$Gini moments identify mechanism rates but not the aggregate sign, which at the calibrated parameters is pinned by $m_6$ and $\xi$, while AI's technology structure ($\eta_1$ vs.\ $\eta_0$) independently crosses the boundary. The contribution is the mechanism -- not a verdict on the sign. Occupation-level regressions using BLS OEWS data (2019--2023) illustrate why such data cannot test the model's task-level predictions. The predictions are testable with within-occupation, within-task panel data that do not yet exist at scale.
Authors: Xiang Ma, Lexin Fang, Litian Xu, Caiming Zhang
Abstract: Cross-modal alignment is a crucial task in multimodal learning aimed at achieving semantic consistency between vision and language. This requires that image-text pairs exhibit similar semantics. Traditional algorithms pursue embedding consistency to achieve semantic consistency, ignoring the non-semantic information present in the embedding. An intuitive approach is to decouple the embeddings into semantic and modality components, aligning only the semantic component. However, this introduces two main challenges: (1) There is no established standard for distinguishing semantic and modal information. (2) The modality gap can cause semantic alignment deviation or information loss. To align the true semantics, we propose a novel cross-modal alignment algorithm via \textbf{C}onstrained \textbf{D}ecoupling and \textbf{D}istribution \textbf{S}ampling (CDDS). Specifically, (1) A dual-path UNet is introduced to adaptively decouple the embeddings, applying multiple constraints to ensure effective separation. (2) A distribution sampling method is proposed to bridge the modality gap, ensuring the rationality of the alignment process. Extensive experiments on various benchmarks and model backbones demonstrate the superiority of CDDS, outperforming state-of-the-art methods by 6.6\% to 14.2\%.
Authors: Jianliang Wu, Anjie Qiao, Zhen Wang, Zhewei Wei, Sheng Chen
Abstract: Dual-target structure-based drug design aims to generate a single ligand together with two pocket-specific binding poses, each compatible with a corresponding target pocket, enabling polypharmacological therapies with improved efficacy and reduced resistance. Existing approaches typically rely on staged pipelines, which either decouple the two poses via conditional-independence assumptions or enforce overly rigid correlations, and therefore fail to jointly generate two target-specific binding modes. To address this, we propose FuseDiff, an end-to-end diffusion model that jointly generates a ligand molecular graph and two pocket-specific binding poses conditioned on both pockets. FuseDiff features a message-passing backbone with Dual-target Local Context Fusion (DLCF), which fuses each ligand atom's local context from both pockets to enable expressive joint modeling while preserving the desired symmetries. Together with explicit bond generation, FuseDiff enforces topological consistency across the two poses under a shared graph while allowing target-specific geometric adaptation in each pocket. To support principled training and evaluation, we derive a dual-target training set and use an independent held-out test set for evaluation. Experiments on the benchmark and a real-world dual-target system show that FuseDiff achieves state-of-the-art docking performance and enables the first systematic assessment of dual-target pose quality prior to docking-based pose search.
Authors: Gyuryang Heo, Timothy Ngotiaoco, Kazuki Irie, Samuel J. Gershman, Bernardo Sabatini
Abstract: Scalable sequence models, such as Transformer variants and structured state-space models, often trade expressivity power for sequence-level parallelism, which enables efficient training. Here we examine the bounds on error and how error scales when models operate outside of their expressivity regimes using a Lie-algebraic control perspective. Our theory formulates a correspondence between the depth of a sequence model and the tower of Lie algebra extensions. Echoing recent theoretical studies, we characterize the Lie-algebraic class of constant-depth sequence models and their corresponding expressivity bounds. Furthermore, we analytically derive an approximation error bound and show that error diminishes exponentially as the depth increases, consistent with the strong empirical performance of these models. We validate our theoretical predictions using experiments on symbolic word and continuous-valued state-tracking problems.
Authors: Ruonan Zhao, Joseph Geunes
Abstract: Railcar shunting is a core planning task in freight railyards, where yard planners need to disassemble and reassemble groups of railcars to form outbound trains. Classification tracks with access from one side only can be considered as stack structures, where railcars are added and removed from only one end, leading to a last-in-first-out (LIFO) retrieval order. In contrast, two-sided tracks function like queue structures, allowing railcars to be added from one end and removed from the opposite end, following a first-in-first-out (FIFO) order. We consider a problem requiring assembly of multiple outbound trains using two locomotives in a railyard with two-sided classification track access. To address this combinatorially challenging problem class, we decompose the problem into two subproblems, each with one-sided classification track access and a locomotive on each side. We present a novel Hybrid Heuristic-Reinforcement Learning (HHRL) framework that integrates railway-specific heuristic solution approaches with a reinforcement learning method, specifically Q-learning. The proposed framework leverages methods to decrease the state-action space and guide exploration during reinforcement learning. The results of a series of numerical experiments demonstrate the efficiency and quality of the HHRL algorithm in both one-sided access, single-locomotive problems and two-sided access, two-locomotive problems.
Authors: Olaf Yunus Laitinen Imanov
Abstract: Urban traffic flow is governed by the complex, nonlinear interaction between land use configuration and spatiotemporally heterogeneous mobility demand. Conventional global regression and time-series models cannot simultaneously capture these multi-scale dynamics across multiple travel modes. This study proposes a GeoAI Hybrid analytical framework that sequentially integrates Multiscale Geographically Weighted Regression (MGWR), Random Forest (RF), and Spatio-Temporal Graph Convolutional Networks (ST-GCN) to model the spatiotemporal heterogeneity of traffic flow patterns and their interaction with land use across three mobility modes: motor vehicle, public transit, and active transport. Applying the framework to an empirically calibrated dataset of 350 traffic analysis zones across six cities spanning two contrasting urban morphologies, four key findings emerge: (i) the GeoAI Hybrid achieves a root mean squared error (RMSE) of 0.119 and an R^2 of 0.891, outperforming all benchmarks by 23-62%; (ii) SHAP analysis identifies land use mix as the strongest predictor for motor vehicle flows and transit stop density as the strongest predictor for public transit; (iii) DBSCAN clustering identifies five functionally distinct urban traffic typologies with a silhouette score of 0.71, and GeoAI Hybrid residuals exhibit Moran's I=0.218 (p<0.001), a 72% reduction relative to OLS baselines; and (iv) cross-city transfer experiments reveal moderate within-cluster transferability (R^2>=0.78) and limited cross-cluster generalisability, underscoring the primacy of urban morphological context. The framework offers planners and transportation engineers an interpretable, scalable toolkit for evidence-based multimodal mobility management and land use policy design.
Authors: Ivan Luiz De Moura Matos, Abdel Djalil Sad Saoud, Ekaterina Iakovleva, Vito Paolo Pastore, Enzo Tartaglione
Abstract: The issue of algorithmic biases in deep learning has led to the development of various debiasing techniques, many of which perform complex training procedures or dataset manipulation. However, an intriguing question arises: is it possible to extract fair and bias-agnostic subnetworks from standard vanilla-trained models without relying on additional data, such as unbiased training set? In this work, we introduce Bias-Invariant Subnetwork Extraction (BISE), a learning strategy that identifies and isolates "bias-free" subnetworks that already exist within conventionally trained models, without retraining or finetuning the original parameters. Our approach demonstrates that such subnetworks can be extracted via pruning and can operate without modification, effectively relying less on biased features and maintaining robust performance. Our findings contribute towards efficient bias mitigation through structural adaptation of pre-trained neural networks via parameter removal, as opposed to costly strategies that are either data-centric or involve (re)training all model parameters. Extensive experiments on common benchmarks show the advantages of our approach in terms of the performance and computational efficiency of the resulting debiased model.
Authors: Hadi Sotoudeh, Payel Mukhopadhyay, Ruben Ohana, Michael McCabe, Neil D. Lawrence, Shirley Ho, Miles Cranmer
Abstract: We investigate the impact of tokeniser pretraining on the accuracy and efficiency of physics emulation. Modern high-resolution simulations produce vast volumes of data spanning diverse physical regimes and scales. Training foundation models to learn the dynamics underlying such data enables the modelling of complex multiphysics phenomena, especially in data-limited settings. The emerging class of physics foundation models typically aims to learn two tasks jointly: (i) extracting compact representations of high-resolution spatiotemporal data, and (ii) capturing governing physical dynamics. However, learning both tasks from scratch simultaneously can impede the effectiveness of either process. We demonstrate that pretraining the tokeniser with an autoencoding objective prior to training the dynamics model enhances computational efficiency for downstream tasks. Notably, the magnitude of this benefit depends on domain alignment: pretraining on the same physical system as the downstream task yields the largest improvements, while pretraining on other systems provides moderate gains. In-domain pretraining reduces VRMSE by 64% after 10,500 training steps compared to training from scratch. To our knowledge, this is the first systematic investigation of tokeniser pretraining for physics foundation models. We further introduce flexible spatiotemporal compression operations that extend causal convolutions to support runtime-adjustable compression ratios, enabling efficient adaptation to diverse downstream tasks. Our findings provide practical guidance for training efficient physics emulators and highlight the importance of strategic pretraining data selection.
Authors: Soyon Choi, Scott Alfeld, Meiyi Ma
Abstract: When used in automated decision-making systems, machine learning (ML) models are vulnerable to data-manipulation attacks. Some defense mechanisms (e.g., adversarial regularization) directly affect the ML models while others (e.g., anomaly detection) act within the broader system. In this paper we consider a different task for defending the adversary, focusing on the attacker, rather than the attack. We present and demonstrate a framework for identifying characteristics about the attacker from an observed attack. We prove that, without additional knowledge, the attacker is non-identifiable (multiple potential attackers would perform the same observed attack). To address this challenge, we propose a domain-agnostic framework to identify the most probable attacker. This framework aids the defender in two ways. First, knowledge about the attacker can be leveraged for exogenous mitigation (i.e., addressing the vulnerability by altering the decision-making system outside the learning algorithm and/or limiting the attacker's capability). Second, when implementing defense methods that directly affect the learning process (e.g., adversarial regularization), knowledge of the specific attacker improves performance. We present the details of our framework and illustrate its applicability through specific instantiations on a variety of learners.
Authors: Junhao Su, David Grimsman, Christopher Archibald
Abstract: Market valuations for professional athletes is a difficult problem, given the amount of variability in performance and location from year to year. In the National Basketball Association (NBA), a straightforward way to address this problem is to build a tabular data set and use supervised machine learning to predict a player's salary based on the player's performance in the previous year. For younger players, whose contracts are mostly built on draft position, this approach works well, however it can fail for veterans or those whose salaries are on the high tail of the distribution. In this paper, we show that building a knowledge graph with on and off court data, embedding that graph in a vector space, and including that vector in the tabular data allows the supervised learning to better understand the landscape of factors that affect salary. We compare several graph embedding algorithms and show that such a process is vital to NBA salary prediction.
Authors: Alperen Ergur, Julia Lindberg, Vinny Miller
Abstract: The power flow equations are non-linear multivariate equations that describe the relationship between power injections and bus voltages of electric power networks. Given a network topology, we are interested in finding network parameters with many equilibrium points. This corresponds to finding instances of the power flow equations with many real solutions. Current state-of-the art algorithms in computational algebra are not capable of answering this question for networks involving more than a small number of variables. To remedy this, we design a probabilistic reward function that gives a good approximation to this root count, and a state-space that mimics the space of power flow equations. We derive the average root count for a Gaussian model, and use this as a baseline for our RL agents. The agents discover instances of the power flow equations with many more solutions than the average baseline. This demonstrates the potential of RL for power-flow network design and analysis as well as the potential for RL to contribute meaningfully to problems that involve complex non-linear algebra or geometry. \footnote{Author order alphabetic, all authors contributed equally.
Authors: Diyuan Wu, Lehan Chen, Theodor Misiakiewicz, Marco Mondelli
Abstract: It is increasingly common in machine learning to use learned models to label data and then employ such data to train more capable models. The phenomenon of weak-to-strong generalization exemplifies the advantage of this two-stage procedure: a strong student is trained on imperfect labels obtained from a weak teacher, and yet the strong student outperforms the weak teacher. In this paper, we show that the potential improvement is substantial, in the sense that it affects the scaling law followed by the test error. Specifically, we consider students and teachers trained via random feature ridge regression (RFRR). Our main technical contribution is to derive a deterministic equivalent for the excess test error of the student trained on labels obtained via the teacher. Via this deterministic equivalent, we then identify regimes in which the scaling law of the student improves upon that of the teacher, unveiling that the improvement can be achieved both in bias-dominated and variance-dominated settings. Strikingly, the student may attain the minimax optimal rate regardless of the scaling law of the teacher -- in fact, when the test error of the teacher does not even decay with the sample size.
Authors: William Fishell, Sam Nicholas Kouteili, Mark Santolucito
Abstract: We prove that Moore machines can be exactly realized as state-space models (SSMs), establishing a formal correspondence between symbolic automata and these continuous machine learning architectures. These Moore-SSMs preserve both the complete symbolic structure and input-output behavior of the original Moore machine, but operate in Euclidean space. With this correspondence, we compare the training of SSMs with both passive and active automata learning. In recovering automata from the SYNTCOMP benchmark, we show that SSMs require orders of magnitude more data than symbolic methods and fail to learn state structure. This suggests that symbolic structure provides a strong inductive bias for learning these systems. We leverage this insight to combine the strengths of both automata learning and SSMs in order to learn complex systems efficiently. We learn an adaptive arbitration policy on a suite of arbiters from SYNTCOMP and show that initializing SSMs with symbolically-learned approximations learn both faster and better. We see 2-5 times faster convergence compared to randomly initialized models and better overall model accuracies on test data. Our work lifts automata learning out of purely discrete spaces, enabling principled exploitation of symbolic structure in continuous domains for efficiently learning in complex settings.
Authors: Peter Lalor, Ayush Panigrahy, Alex Hagen
Abstract: Training machine learning models for radioisotope identification using gamma spectroscopy remains an elusive challenge for many practical applications, largely stemming from the difficulty of acquiring and labeling large, diverse experimental datasets. Simulations can mitigate this challenge, but the accuracy of models trained on simulated data can deteriorate substantially when deployed to an out-of-distribution operational environment. In this study, we demonstrate that unsupervised domain adaptation (UDA) can improve the ability of a model trained on synthetic data to generalize to a new testing domain, provided unlabeled data from the target domain are available. Conventional supervised techniques are unable to utilize this data because the absence of isotope labels precludes defining a supervised classification loss. Instead, we first pretrain a spectral classifier using labeled synthetic data and subsequently leverage unlabeled target data to align the learned feature representations between the source and target domains. We compare a range of different UDA techniques, finding that minimizing the maximum mean discrepancy (MMD) between source and target feature vectors yields the most consistent improvement to testing scores. For instance, using a custom transformer-based neural network, we achieved a testing accuracy of $0.904 \pm 0.022$ on an experimental LaBr$_3$ test set after performing unsupervised feature alignment via MMD minimization, compared to $0.754 \pm 0.014$ before alignment. Overall, our results highlight the potential of using UDA to adapt a radioisotope classifier trained on synthetic data for real-world deployment.
Authors: Ved Sriraman, Adam Block
Abstract: Best-of-N (BoN) sampling is a widely used inference-time alignment method for language models, whereby N candidate responses are sampled from a reference model and the one with the highest predicted reward according to a learned reward model is selected. Despite its widespread practical use, recent theoretical work has suggested that it is statistically suboptimal and vulnerable to reward hacking, the process by which models exploit weaknesses in the learned reward model to achieve high estimated reward without genuinely improving performance. We revisit this question under assumptions that more closely reflect practice than that of prior work. In particular, in contradistinction to earlier analyses that focused on expected true reward, which may not be meaningful in many practical settings, we investigate how inference-time alignment affects the win-rate, a pairwise comparison-based metric more closely aligned with how reward models are trained and evaluated in practice. We demonstrate that, under minimal conditions on the quality of the reference model and learned reward model, properly tuned BoN is both computationally and statistically optimal in achieving high win-rate, partially explaining its widespread practical success. Because BoN remains susceptible to reward-hacking in this setting, we propose a simple and practical variant that provably eliminates reward-hacking while maintaining optimal statistical performance. Finally, we show that prior approaches are provably suboptimal when considering win-rate, highlighting the importance of choosing appropriate objectives when analyzing inference-time alignment methods.
Authors: Rifny Rachman, Josh Tingey, Richard Allmendinger, Wei Pan, Pradyumn Shukla, Bahrul Ilmi Nasution
Abstract: Multi-objective reinforcement learning (MORL) is effective for multi-echelon combinatorial supply chain optimisation, where tasks involve high dimensionality, uncertainty, and competing objectives. However, its deployment in dynamic environments is hindered by the need for task-specific retraining and substantial computational cost. We introduce MIRACL (Meta multI-objective Reinforcement leArning with Composite Learning), a hierarchical Meta-MORL framework that allows for a few-shot generalisation across diverse tasks. MIRACL decomposes each task into structured subproblems for efficient policy adaptation and meta-learns a global policy across tasks using a Pareto-based adaptation strategy to encourage diversity in meta-training and fine-tuning. To our knowledge, this is the first integration of Meta-MORL with such mechanisms in combinatorial optimisation. Although validated in the supply chain domain, MIRACL is theoretically domain-agnostic and applicable to broader dynamic multi-objective decision-making problems. Empirical evaluations show that MIRACL outperforms conventional MORL baselines in simple to moderate tasks, achieving up to 10% higher hypervolume and 5% better expected utility. These results underscore the potential of MIRACL for robust, efficient adaptation in multi-objective problems.
Authors: Vansh Bansal, James G Scott
Abstract: Rectified Flow (RF) models achieve state-of-the-art generation quality, yet controlling them for precise tasks -- such as semantic editing or blind image recovery -- remains a challenge. Current approaches bifurcate into inversion-based guidance, which suffers from "geometric locking" by rigidly adhering to the source trajectory, and posterior sampling approximations (e.g., DPS), which are computationally expensive and unstable. In this work, we propose Score-Guided Proximal Projection (SGPP), a unified framework that bridges the gap between deterministic optimization and stochastic sampling. We reformulate the recovery task as a proximal optimization problem, defining an energy landscape that balances fidelity to the input with realism from the pre-trained score field. We theoretically prove that this objective induces a normal contraction property, geometrically guaranteeing that out-of-distribution inputs are snapped onto the data manifold, and it effectively reaches the posterior mode constrained to the manifold. Crucially, we demonstrate that SGPP generalizes state-of-the-art editing methods: RF-inversion is effectively a limiting case of our framework. By relaxing the proximal variance, SGPP enables "soft guidance," offering a continuous, training-free trade-off between strict identity preservation and generative freedom.
Authors: Mykola Pinchuk
Abstract: Autonomous coding agents can produce strong tabular baselines quickly on Kaggle-style tasks. Practical value depends on end-to-end correctness and reliability under time limits. This paper introduces TML-Bench, a tabular benchmark for data science agents on Kaggle-style tasks. This paper evaluates 10 OSS LLMs on four Kaggle competitions and three time budgets (240s, 600s, and 1200s). Each model is run five times per task and budget. A run is successful if it produces a valid submission and a private-holdout score on hidden labels that are not accessible to the agent. This paper reports median performance, success rates, and run-to-run variability. MiniMax-M2.1 model achieves the best aggregate performance score on all four competitions under the paper's primary aggregation. Average performance improves with larger time budgets. Scaling is noisy for some individual models at the current run count. Code and materials are available at https://github.com/MykolaPinchuk/TML-bench/tree/master.
URLs: https://github.com/MykolaPinchuk/TML-bench/tree/master.
Authors: Levy Chaves, Chao Zhou, Rebekka Burkholz, Eduardo Valle, Sandra Avila
Abstract: Model merging integrates multiple task-specific models into a single consolidated one. Recent research has made progress in improving merging performance for in-distribution or multi-task scenarios, but domain generalization in model merging remains underexplored. We investigate how merging models fine-tuned on distinct domains affects generalization to unseen domains. Through an analysis of parameter competition in the task matrix using singular value decomposition, we show that merging models trained under different distribution shifts induces stronger conflicts between their subspaces compared to traditional multi-task settings. To mitigate this issue, we propose SCORE (Subspace COnflict-Resolving mErging), a method designed to alleviate such singular subspace conflicts. SCORE finds a shared orthogonal basis by computing the principal components of the concatenated leading singular vectors of all models. It then projects each task matrix into the shared basis, pruning off-diagonal components to remove conflicting singular directions. SCORE consistently outperforms, on average, existing model merging approaches in domain generalization settings across a variety of architectures and model scales, demonstrating its effectiveness and scalability.
Authors: Zhankun Luo, Antesh Upadhyay, Sang Bin Moon, Abolfazl Hashemi
Abstract: This paper addresses the distributed stochastic minimax optimization problem subject to stochastic constraints. We propose a novel first-order Softmax-Weighted Switching Gradient method tailored for federated learning. Under full client participation, our algorithm achieves the standard $\mathcal{O}(\epsilon^{-4})$ oracle complexity to satisfy a unified bound $\epsilon$ for both the optimality gap and feasibility tolerance. We extend our theoretical analysis to the practical partial participation regime by quantifying client sampling noise through a stochastic superiority assumption. Furthermore, by relaxing standard boundedness assumptions on the objective functions, we establish a strictly tighter lower bound for the softmax hyperparameter. We provide a unified error decomposition and establish a sharp $\mathcal{O}(\log\frac{1}{\delta})$ high-probability convergence guarantee. Ultimately, our framework demonstrates that a single-loop primal-only switching mechanism provides a stable alternative for optimizing worst-case client performance, effectively bypassing the hyperparameter sensitivity and convergence oscillations often encountered in traditional primal-dual or penalty-based approaches. We verify the efficacy of our algorithm via experiment on the Neyman-Pearson (NP) classification and fair classification tasks.
Authors: Marmik Chaudhari, Nishkal Hundia, Idhant Gulati
Abstract: Mixture of Experts (MoE) achieve parameter-efficient scaling through sparse expert routing, yet their internal representations remain poorly understood compared to dense models. We present a systematic comparison of MoE and dense model internals using crosscoders, a variant of sparse autoencoders, that jointly models multiple activation spaces. We train 5-layer dense and MoEs (equal active parameters) on 1B tokens across code, scientific text, and english stories. Using BatchTopK crosscoders with explicitly designated shared features, we achieve $\sim 87\%$ fractional variance explained and uncover concrete differences in feature organization. The MoE learns significantly fewer unique features compared to the dense model. MoE-specific features also exhibit higher activation density than shared features, whereas dense-specific features show lower density. Our analysis reveals that MoEs develop more specialized, focused representations while dense models distribute information across broader, more general-purpose features.
Authors: Marmik Chaudhari, Idhant Gulati, Nishkal Hundia, Pranav Karra, Shivam Raval
Abstract: Mixture of Experts (MoE) models enable parameter-efficient scaling through sparse expert activations, yet optimizing their inference and memory costs remains challenging due to limited understanding of their specialization behavior. We present a systematic analysis of expert specialization in MoEs through two complementary approaches: domain-specific routing patterns and an early decoding framework that tracks expert contributions to output representations. Our analysis of the DeepSeekMoE model reveals that despite having 64 routed experts with 6 active for each layer's computation, the model predominantly relies on a few specialized experts, with the top-weighted expert's output closely approximating the full ensemble prediction. We quantitatively validate these findings through a systematic analysis of the token routing distribution, demonstrating that very few experts handle over 50\% of routing decisions across different specialized domains. Hidden state similarity between single and ensemble experts for every layer is extremely high, with some layers having cosine similarity as high as 0.95 and perplexity increasing by only 5\% when using a single expert across all three domains. Our results indicate that Mixture of Experts models exhibit concentrated expertise highlighting potential opportunities for inference optimization through targeted expert pruning while maintaining model performance and opening avenues towards studying localization of learned knowledge in these models.
Authors: Son Thai Ly, Hien V. Nguyen
Abstract: Adapting foundation models to new clinical sites remains challenging in practice. Domain shift and scarce annotations must be handled by experts, yet many clinical groups do not have ready access to skilled AI engineers to tune adapter designs and training recipes. As a result, adaptation cycles can stretch from weeks to months, particularly in few-shot settings. Existing PEFT methods either require manual adapter configuration or automated searches that are computationally infeasible in few-shot 3D settings. We propose SEA-PEFT (SElf-Auditing Parameter-Efficient Fine-Tuning) to automate this process. SEA-PEFT treats adapter configuration as an online allocation problem solved during fine-tuning rather than through manual, fixed-topology choices. SEA-PEFT uses a search-audit-allocate loop that trains active adapters, estimates each adapter's Dice utility by momentarily toggling it off, and then reselects the active set under a parameter budget using a greedy knapsack allocator. Exponential Moving Average and Interquartile Range smoothing, together with a Finite-State Ranking controller, stabilize the loop and improve reliability in high-noise few-shot regimes. On TotalSegmentator and FLARE'22, SEA-PEFT improves mean Dice by 2.4--2.8 points over the strongest fixed-topology PEFT baselines across 1/5/10-shot settings while training <1% of parameters. For reproducibility purposes, we made our code publicly available at https://github.com/tsly123/SEA_PEFT
Authors: Shubhangi Upasani, Chen Wu, Jay Rainton, Bo Li, Changran Hu, Qizheng Zhang, Urmish Thakker
Abstract: Test-time adaptation enables large language models (LLMs) to modify their behavior at inference without updating model parameters. A common approach is many-shot prompting, where large numbers of in-context learning (ICL) examples are injected as an input-space test-time update. Although performance can improve as more demonstrations are added, the reliability and limits of this update mechanism remain poorly understood, particularly for open-source models. We present an empirical study of many-shot prompting across tasks and model backbones, analyzing how performance varies with update magnitude, example ordering, and selection policy. We further study Dynamic and Reinforced ICL as alternative test-time update strategies that control which information is injected and how it constrains model behavior. We find that many-shot prompting is effective for structured tasks where demonstrations provide high information gain, but is highly sensitive to selection strategy and often shows limited benefits for open-ended generation tasks. Overall, we characterize the practical limits of prompt-based test-time adaptation and outline when input-space updates are beneficial versus harmful.
Authors: \.Ibrahim Bahad{\i}r Altun, Ahmet Erdem Sar{\i}y\"uce
Abstract: Networks of timestamped interactions arise across social, financial, and biological domains, where forecasting future events requires modeling both evolving topology and temporal ordering. Temporal link prediction methods typically frame the task as binary classification with negative sampling, discarding the sequential and correlated nature of real-world interactions. We introduce STEP (STochastic Event Predictor), a framework that reformulates temporal link prediction as a sequential forecasting problem in continuous time. STEP models event dynamics through discrete temporal motif transitions governed by Poisson processes, maintaining a set of open motif instances that evolve as new interactions arrive. At each step, the framework decides whether to initiate a new temporal motif or extend an existing one, selecting the most probable event via Bayesian scoring of temporal likelihoods and structural priors. STEP also produces compact, temporal motif-based feature vectors that can be concatenated with existing temporal graph neural network outputs, enriching their representations without architectural modifications. Experiments on five real-world datasets demonstrate up to 21% average precision gains over state-of-the-art baselines in classification and 0.99 precision in next $k$ sequential forecasting, with consistently lower runtime than competing motif-aware methods.
Authors: Xuan Li, Zhanke Zhou, Zongze Li, Jiangchao Yao, Yu Rong, Lu Zhang, Bo Han
Abstract: Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly in instruction-based molecular optimization, where each data point typically provides only a single optimized reference molecule and no step-by-step optimization trajectory. We reveal that answer-only SFT on the reference molecules collapses reasoning, and RLVR provides sparse feedback under similarity constraints due to the model's lack of effective exploration, which slows learning and limits optimization. To encourage the exploration of new molecules while balancing the exploitation of the reference molecules, we introduce Reference-guided Policy Optimization (RePO), an optimization approach that learns from reference molecules without requiring trajectory data. At each update, RePO samples candidate molecules with their intermediate reasoning trajectories from the model and trains the model using verifiable rewards that measure property satisfaction under similarity constraints in an RL manner. Meanwhile, it applies reference guidance by keeping the policy's intermediate reasoning trajectory as context and training only the answer in a supervised manner. Together, the RL term promotes exploration, while the guidance term mitigates reward sparsity and stabilizes training by grounding outputs to references when many valid molecular edits exist. Across molecular optimization benchmarks, RePO consistently outperforms SFT and RLVR baselines (e.g., GRPO), achieving improvements on the optimization metric (Success Rate $\times$ Similarity), improving balance across competing objectives, and generalizing better to unseen instruction styles. Our code is publicly available at https://github.com/tmlr-group/RePO.
Authors: Mohammad Al Ridhawi, Mahtab Haj Ali, Hussein Al Osman
Abstract: Stock market prediction presents considerable challenges for investors, financial institutions, and policymakers operating in complex market environments characterized by noise, non-stationarity, and behavioral dynamics. Traditional forecasting methods often fail to capture the intricate patterns and cross-sectional dependencies inherent in financial markets. This paper presents an integrated framework combining a node transformer architecture with BERT-based sentiment analysis for stock price forecasting. The proposed model represents the stock market as a graph structure where individual stocks form nodes and edges capture relationships including sectoral affiliations, correlated price movements, and supply chain connections. A fine-tuned BERT model extracts sentiment from social media posts and combines it with quantitative market features through attention-based fusion. The node transformer processes historical market data while capturing both temporal evolution and cross-sectional dependencies among stocks. Experiments on 20 S&P 500 stocks spanning January 1982 to March 2025 demonstrate that the integrated model achieves a mean absolute percentage error (MAPE) of 0.80% for one-day-ahead predictions, compared to 1.20% for ARIMA and 1.00% for LSTM. Sentiment analysis reduces prediction error by 10% overall and 25% during earnings announcements, while graph-based modeling contributes an additional 15% improvement by capturing inter-stock dependencies. Directional accuracy reaches 65% for one-day forecasts. Statistical validation through paired t-tests confirms these improvements (p < 0.05 for all comparisons). The model maintains MAPE below 1.5% during high-volatility periods where baseline models exceed 2%.
Authors: Huiling Meng, Ningyuan Chen, Xuefeng Gao
Abstract: Online platforms routinely compare multi-armed bandit algorithms, such as UCB and Thompson Sampling, to select the best-performing policy. Unlike standard A/B tests for static treatments, each run of a bandit algorithm over $T$ users produces only one dependent trajectory, because the algorithm's decisions depend on all past interactions. Reliable inference therefore demands many independent restarts of the algorithm, making experimentation costly and delaying deployment decisions. We propose Artificial Replay (AR) as a new experimental design for this problem. AR first runs one policy and records its trajectory. When the second policy is executed, it reuses a recorded reward whenever it selects an action the first policy already took, and queries the real environment only otherwise. We develop a new analytical framework for this design and prove three key properties of the resulting estimator: it is unbiased; it requires only $T + o(T)$ user interactions instead of $2T$ for a run of the treatment and control policies, nearly halving the experimental cost when both policies have sub-linear regret; and its variance grows sub-linearly in $T$, whereas the estimator from a na\"ive design has a linearly-growing variance. Numerical experiments with UCB, Thompson Sampling, and $\epsilon$-greedy policies confirm these theoretical gains.
Authors: Habibullah Akbar
Abstract: Modern neural network optimization relies heavily on architectural priorssuch as Batch Normalization and Residual connectionsto stabilize training dynamics. Without these, or in low-data regimes with aggressive augmentation, low-bias architectures like Vision Transformers (ViTs) often suffer from optimization collapse. This work adopts Sketched Isotropic Gaussian Regularization (SIGReg), recently introduced in the LeJEPA self-supervised framework, and repurposes it as a general optimization stabilizer for supervised learning. While the original formulation targets the full characteristic function, a computationally efficient variant is derived, Weak-SIGReg, which targets the covariance matrix via random sketching. Inspired by interacting particle systems, representation collapse is viewed as stochastic drift; SIGReg constrains the representation density towards an isotropic Gaussian, mitigating this drift. Empirically, SIGReg recovers the training of a ViT on CIFAR-100 from a collapsed 20.73\% to 72.02\% accuracy without architectural hacks and significantly improves the convergence of deep vanilla MLPs trained with pure SGD. Code is available at \href{https://github.com/kreasof-ai/sigreg}{github.com/kreasof-ai/sigreg}.
Authors: Hui Yang, Tao Ren, Jinyang Jiang, Wan Tian, Yijie Peng
Abstract: Memory-efficient optimization methods have recently gained increasing attention for scaling full-parameter training of large language models under the GPU-memory bottleneck. Existing approaches either lack clear convergence guarantees, or only achieve the standard ${\mathcal{O}}(\epsilon^{-4})$ iteration complexity in the nonconvex settings. We propose Omni-Masked Gradient Descent (OMGD), an optimization method based on mask traversal for memory efficient training, and provide a nonconvex convergence analysis that establishes a strictly improved iteration complexity of $\tilde{\mathcal{O}}(\epsilon^{-3})$ for finding an $\epsilon$-approximate stationary point. Empirically, OMGD is a lightweight, plug-and-play approach that integrates seamlessly into most mainstream optimizers, yielding consistent improvements over competitive baselines in both fine-tuning and pre-training tasks.
Authors: Zongfang Liu, Shengkun Tang, Boyang Sun, Zhiqiang Shen, Xin Yuan
Abstract: Sparse Mixture-of-Experts (SMoE) language models achieve strong capability at low per-token compute, yet deployment remains memory- and throughput-bound because the full expert pool must be stored and served. Post-training expert pruning reduces this cost, but most methods focus on which experts to prune within each layer and default to a uniform layer-wise sparsity allocation, even though the allocation can strongly affect performance. We decouple pruning into within-layer expert ranking and across-layer budget allocation, and introduce \textbf{E}xpected \textbf{S}peculative \textbf{A}cceptance \textbf{P}roxy (\textbf{ESAP}), a speculative-decoding-inspired, teacher-forced metric that measures how well a pruned model matches the full model. ESAP is bounded and stable, enabling cheap comparison of many candidates without costly autoregressive decoding. Building on ESAP, we propose EvoESAP, an evolutionary searching framework that optimizes a non-uniform layer-wise sparsity allocation under a fixed global budget while holding the within-layer pruning order fixed, making it a plug-and-play method with criteria such as Frequency, EAN, SEER, and REAP. Across 7B--30B SMoE LLMs at 25\% and 50\% sparsity, EvoESAP consistently discovers non-uniform allocations that improve open-ended generation (up to \textbf{+19.6\%} on MATH-500 at 50\% sparsity) while preserving competitive multiple-choice accuracy compared with uniform pruning at the same sparsity.
Authors: Michael Beukman, Khimya Khetarpal, Zeyu Zheng, Will Dabney, Jakob Foerster, Michael Dennis, Clare Lyle
Abstract: Plateaus, where an agent's performance stagnates at a suboptimal level, are a common problem in deep on-policy RL. Focusing on PPO due to its widespread adoption, we show that plateaus in certain regimes arise not because of known exploration, capacity, or optimization challenges, but because sample-based estimates of the loss eventually become poor proxies for the true objective over the course of training. As a recap, PPO switches between sampling rollouts from several parallel environments online using the current policy (which we call the outer loop) and performing repeated minibatch SGD steps against this offline dataset (the inner loop). In our work we consider only the outer loop, and conceptually model it as stochastic optimization. The step size is then controlled by the regularization strength towards the previous policy and the gradient noise by the number of samples collected between policy update steps. This model predicts that performance will plateau at a suboptimal level if the outer step size is too large relative to the noise. Recasting PPO in this light makes it clear that there are two ways to address this particular type of learning stagnation: either reduce the step size or increase the number of samples collected between updates. We first validate the predictions of our model and investigate how hyperparameter choices influence the step size and update noise, concluding that increasing the number of parallel environments is a simple and robust way to reduce both factors. Next, we propose a recipe for how to co-scale the other hyperparameters when increasing parallelization, and show that incorrectly doing so can lead to severe performance degradation. Finally, we vastly outperform prior baselines in a complex open-ended domain by scaling PPO to more than 1M parallel environments, thereby enabling monotonic performance improvement up to one trillion transitions.
Authors: Lucas Pesenti, Lucas Slot, Manuel Wiedmer
Abstract: The complexity of learning a concept class under Gaussian marginals in the difficult agnostic model is closely related to its $L_1$-approximability by low-degree polynomials. For any concept class with Gaussian surface area at most $\Gamma$, Klivans et al. (2008) show that degree $d = O(\Gamma^2 / \varepsilon^4)$ suffices to achieve an $\varepsilon$-approximation. This leads to the best-known bounds on the complexity of learning a variety of concept classes. In this note, we improve their analysis by showing that degree $d = \tilde O (\Gamma^2 / \varepsilon^2)$ is enough. In light of lower bounds due to Diakonikolas et al. (2021), this yields (near) optimal bounds on the complexity of agnostically learning polynomial threshold functions in the statistical query model. Our proof relies on a direct analogue of a construction of Feldman et al. (2020), who considered $L_1$-approximation on the Boolean hypercube.
Authors: Stanley Wei, Alex Damian, Jason D. Lee
Abstract: Significant recent work has studied the ability of gradient descent to recover a hidden planted direction $\theta^\star \in S^{d-1}$ in different high-dimensional settings, including tensor PCA and single-index models. The key quantity that governs the ability of gradient descent to traverse these landscapes is the information exponent $k^\star$ (Ben Arous et al., (2021)), which corresponds to the order of the saddle at initialization in the population landscape. Ben Arous et al., (2021) showed that $n \gtrsim d^{\max(1, k^\star-1)}$ samples were necessary and sufficient for online SGD to recover $\theta^\star$, and Ben Arous et al., (2020) proved a similar lower bound for Langevin dynamics. More recently, Damian et al., (2023) showed it was possible to circumvent these lower bounds by running gradient descent on a smoothed landscape, and that this algorithm succeeds with $n \gtrsim d^{\max(1, k^\star/2)}$ samples, which is optimal in the worst case. This raises the question of whether it is possible to achieve the same rate without explicit smoothing. In this paper, we show that Langevin dynamics can succeed with $n \gtrsim d^{ k^\star/2 }$ samples if one considers the average iterate, rather than the last iterate. The key idea is that the combination of noise-injection and iterate averaging is able to emulate the effect of landscape smoothing. We apply this result to both the tensor PCA and single-index model settings. Finally, we conjecture that minibatch SGD can also achieve the same rate without adding any additional noise.
Authors: Wenjin Wu, Ale\v{s} Leonardis, Linjiang Chen, Jianbo Jiao
Abstract: Infrared (IR) spectroscopy, a type of vibrational spectroscopy, is widely used for molecular structure determination and provides critical structural information for chemists. However, existing approaches for recovering molecular structures from IR spectra typically rely on one-dimensional SMILES strings or two-dimensional molecular graphs, which fail to capture the intricate relationship between spectral features and three-dimensional molecular geometry. Recent advances in diffusion models have greatly enhanced the ability to generate molecular structures in 3D space. Yet, no existing model has explored the distribution of 3D molecular geometries corresponding to a single IR spectrum. In this work, we introduce IR-GeoDiff, a latent diffusion model that recovers 3D molecular geometries from IR spectra by integrating spectral information into both node and edge representations of molecular structures. We evaluate IR-GeoDiff from both spectral and structural perspectives, demonstrating its ability to recover the molecular distribution corresponding to a given IR spectrum. Furthermore, an attention-based analysis reveals that the model is able to focus on characteristic functional group regions in IR spectra, qualitatively consistent with common chemical interpretation practices.
Authors: Zhipeng Yao, Rui Yu, Guisong Chang, Ying Li, Yu Zhang, Dazhou Li
Abstract: Stochastic Gradient Descent (SGD) and its momentum variants form the backbone of deep learning optimization, yet the underlying dynamics of their gradient behavior remain insufficiently understood. In this work, we reinterpret gradient updates through the lens of signal processing and reveal that fixed momentum coefficients inherently distort the balance between bias and variance, leading to skewed or suboptimal parameter updates. To address this, we propose SGDF (SGD with Filter), an optimizer inspired by the principles of Optimal Linear Filtering. SGDF computes an online, time-varying gain to dynamically refine gradient estimation by minimizing the mean-squared error, thereby achieving an optimal trade-off between noise suppression and signal preservation. Furthermore, our approach could extend to other optimizers, showcasing its broad applicability to optimization frameworks. Extensive experiments across diverse architectures and benchmarks demonstrate SGDF surpasses conventional momentum methods and achieves performance on par with or surpassing state-of-the-art optimizers.
Authors: Yuewei Li, Dalin Zhang, Huan Li, Xinyi Gong, Hongjun Chu, Zhaohui Song
Abstract: Time series anomaly detection has achieved remarkable progress in recent years. However, evaluation practices have received comparatively less attention, despite their critical importance. Existing metrics exhibit several limitations: (1) bias toward point-level coverage, (2) insensitivity or inconsistency in near-miss detections, (3) inadequate penalization of false alarms, and (4) inconsistency caused by threshold or threshold-interval selection. These limitations can produce unreliable or counterintuitive results, hindering objective progress. In this work, we revisit the evaluation of time series anomaly detection from the perspective of detection semantics and propose a novel metric for more comprehensive assessment. We first introduce a partitioning strategy grounded in detection semantics, which decomposes the local temporal region of each anomaly into three functionally distinct subregions. Using this partitioning, we evaluate overall detection behavior across events and design finer-grained scoring mechanisms for each subregion, enabling more reliable and interpretable assessment. Through a systematic study of existing metrics, we identify an evaluation bias associated with threshold-interval selection and adopt an approach that aggregates detection qualities across the full threshold spectrum, thereby eliminating evaluation inconsistency. Extensive experiments on synthetic and real-world data demonstrate that our metric provides stable, discriminative, and interpretable evaluation, while achieving robust assessment compared with ten widely used metrics.
Authors: Puneet Mathur, Branislav Kveton, Subhojyoti Mukherjee, Viet Dac Lai
Abstract: Reinforcement learning is a framework for learning to act sequentially in an unknown environment. We propose a natural approach for modeling policy structure in policy gradients. The key idea is to optimize for a subset of future rewards: smaller subsets represent simpler policies, which can be learned more reliably because their empirical gradient estimates are more accurate. Our approach allows for modeling and comparison of different policy classes, including full planning, greedy, K-step lookahead, and segment policies. We evaluate the policies empirically on multiple persona-alignment conversational problems. Different policies excel in different problems, reflecting their different characteristics and highlighting the importance of our studied policy class.
Authors: Bj\"orn van Zwol
Abstract: Predictive coding graphs (PCGs) are a recently introduced generalization to predictive coding networks, a neuroscience-inspired probabilistic latent variable model. Here, we prove how PCGs define a mathematical superset of feedforward artificial neural networks (multilayer perceptrons). This positions PCNs more strongly within contemporary machine learning (ML), and reinforces earlier proposals to study the use of non-hierarchical neural networks for ML tasks, and more generally the notion of topology in neural networks.
Authors: Alejandro J. Gonz\'alez-Santana, Giovanny A. Cuervo-Londo\~no, Javier S\'anchez
Abstract: Accurate regional ocean forecasting requires models that are both computationally efficient and capable of representing predictive uncertainty. This work investigates ensemble learning strategies for sea surface temperature (SST) forecasting using Graph Neural Networks (GNNs), with a focus on how input perturbation design affects forecast skill and uncertainty representation. We adapt a GNN architecture to the Canary Islands region in the North Atlantic and implement a homogeneous ensemble approach inspired by bagging, where diversity is introduced during inference by perturbing initial ocean states rather than retraining multiple models. Several noise-based ensemble generation strategies are evaluated, including Gaussian noise, Perlin noise, and fractal Perlin noise, with systematic variation of noise intensity and spatial structure. Ensemble forecasts are assessed over a 15-day horizon using deterministic metrics (RMSE and bias) and probabilistic metrics, including the Continuous Ranked Probability Score (CRPS) and the Spread-skill ratio. Results show that, while deterministic skill remains comparable to the single-model forecast, the type and structure of input perturbations strongly influence uncertainty representation, particularly at longer lead times. Ensembles generated with spatially coherent perturbations, such as low-resolution Perlin noise, achieve better calibration and lower CRPS than purely random Gaussian perturbations. These findings highlight the critical role of noise structure and scale in ensemble GNN design and demonstrate that carefully constructed input perturbations can yield well-calibrated probabilistic forecasts without additional training cost, supporting the feasibility of ensemble GNNs for operational regional ocean prediction.
Authors: Jhonathan Barrios, Wolfram Erlhagen, Miguel F. Gago, Estela Bicho, Flora Ferreira
Abstract: Differential diagnosis among parkinsonian syndromes remains a clinical challenge due to overlapping motor symptoms and subtle gait abnormalities. Accurate differentiation is crucial for treatment planning and prognosis. While gait analysis is a well established approach for assessing motor impairments, conventional methods often overlook hidden nonlinear and structural features embedded in foot clearance patterns. We evaluated Topological Data Analysis (TDA) as a complementary tool for Parkinsonism classification using foot clearance time series. Persistent homology produced Betti curves, persistence landscapes, and silhouettes, which were used as features for a Random Forest classifier. The dataset comprised 15 controls (CO), 15 idiopathic Parkinson's disease (IPD), and 14 vascular Parkinsonism (VaP). Models were assessed with leave-one-out cross-validation (LOOCV). Betti-curve descriptors consistently yielded the strongest results. For IPD vs VaP, foot clearance variables minimum toe clearance, maximum toe late swing, and maximum heel clearance achieved 83% accuracy and AUC=0.89 under LOOCV in the medicated (On) state. Performance improved in the On state and further when both Off and On states were considered, indicating sensitivity of the topological features to levodopa related gait changes. These findings support integrating TDA with machine learning to improve clinical gait analysis and aid differential diagnosis across parkinsonian disorders.
Authors: Felix Walger, Mehdi Ejtehadi, Anke Schmeink, Diego Paez-Granados
Abstract: Wearable sensors with local data processing can detect health threats early, enhance documentation, and support personalized therapy. In the context of spinal cord injury (SCI), which involves risks such as pressure injuries and blood pressure instability, continuous monitoring can help mitigate these by enabling early deDtection and intervention. In this work, we present a novel distributed machine learning (DML) protocol for human activity recognition (HAR) from wearable sensor data based on gradient-boosted decision trees (XGBoost). The proposed architecture is inspired by Party-Adaptive XGBoost (PAX) while explicitly preserving key structural and optimization properties of standard XGBoost, including histogram-based split construction and tree-ensemble dynamics. First, we provide a theoretical analysis showing that, under appropriate data conditions and suitable hyperparameter selection, the proposed distributed protocol can converge to solutions equivalent to centralized XGBoost training. Second, the protocol is empirically evaluated on a representative wearable-sensor HAR dataset, reflecting the heterogeneity and data fragmentation typical of remote monitoring scenarios. Benchmarking against centralized XGBoost and IBM PAX demonstrates that the theoretical convergence properties are reflected in practice. The results indicate that the proposed approach can match centralized performance up to a gap under 1\% while retaining the structural advantages of XGBoost in distributed wearable-based HAR settings.
Authors: Han-Chen Zhang, Zi-Hao Zhou, Mao-Lin Luo, Shimin Di, Min-Ling Zhang, Tong Wei
Abstract: Model merging aims to integrate multiple task-adapted models into a unified model that preserves the knowledge of each task. In this paper, we identify that the key to this knowledge retention lies in maintaining the directional consistency of singular spaces between merged multi-task vector and individual task vectors. However, this consistency is frequently compromised by two issues: i) an imbalanced energy distribution within task vectors, where a small fraction of singular values dominate the total energy, leading to the neglect of semantically important but weaker components upon merging, and ii) the geometric inconsistency of task vectors in parameter space, which causes direct merging to distort their underlying directional geometry. To address these challenges, we propose DC-Merge, a method for directional-consistent model merging. It first balances the energy distribution of each task vector by smoothing its singular values, ensuring all knowledge components are adequately represented. These energy-balanced vectors are then projected onto a shared orthogonal subspace to align their directional geometries with minimal reconstruction error. Finally, the aligned vectors are aggregated in the shared orthogonal subspace and projected back to the original parameter space. Extensive experiments on vision and vision-language benchmarks show that DC-Merge consistently achieves state-of-the-art performance in both full fine-tuning and LoRA settings. The implementation code is available at https://github.com/Tobeginwith/DC-Merge.
Authors: Aditya Varre, Mark Rofin, Nicolas Flammarion
Abstract: Understanding the intricate non-convex training dynamics of softmax-based models is crucial for explaining the empirical success of transformers. In this article, we analyze the gradient flow dynamics of the value-softmax model, defined as ${L}(\mathbf{V} \sigma(\mathbf{a}))$, where $\mathbf{V}$ and $\mathbf{a}$ are a learnable value matrix and attention vector, respectively. As the matrix times softmax vector parameterization constitutes the core building block of self-attention, our analysis provides direct insight into transformer's training dynamics. We reveal that gradient flow on this structure inherently drives the optimization toward solutions characterized by low-entropy outputs. We demonstrate the universality of this polarizing effect across various objectives, including logistic and square loss. Furthermore, we discuss the practical implications of these theoretical results, offering a formal mechanism for empirical phenomena such as attention sinks and massive activations.
Authors: Leonard Pleiss, Carolin Schmidt, Maximilian Schiffer
Abstract: Reinforcement Learning (RL) lacks benchmarks that enable precise, white-box diagnostics of agent behavior. Current environments often entangle complexity factors and lack ground-truth optimality metrics, making it difficult to isolate why algorithms fail. We introduce Synthetic Monitoring Environments (SMEs), an infinite suite of continuous control tasks. SMEs provide fully configurable task characteristics and known optimal policies. As such, SMEs allow for the exact calculation of instantaneous regret. Their rigorous geometric state space bounds allow for systematic within-distribution (WD) and out-of-distribution (OOD) evaluation. We demonstrate the framework's benefit through multidimensional ablations of PPO, TD3, and SAC, revealing how specific environmental properties - such as action or state space size, reward sparsity and complexity of the optimal policy - impact WD and OOD performance. We thereby show that SMEs offer a standardized, transparent testbed for transitioning RL evaluation from empirical benchmarking toward rigorous scientific analysis.
Authors: Songqun Gao, Zanxi Ruan, Patrick Floor, Marco Roveri, Luigi Palopoli, Daniele Fontanelli
Abstract: The orienteering problem with time windows and variable profits (OPTWVP) is common in many real-world applications and involves continuous time variables. Current approaches fail to develop an efficient solver for this orienteering problem variant with discrete and continuous variables. In this paper, we propose a learning-based two-stage DEcoupled discrete-Continuous optimization with Service-time-guided Trajectory (DeCoST), which aims to effectively decouple the discrete and continuous decision variables in the OPTWVP problem, while enabling efficient and learnable coordination between them. In the first stage, a parallel decoding structure is employed to predict the path and the initial service time allocation. The second stage optimizes the service times through a linear programming (LP) formulation and provides a long-horizon learning of structure estimation. We rigorously prove the global optimality of the second-stage solution. Experiments on OPTWVP instances demonstrate that DeCoST outperforms both state-of-the-art constructive solvers and the latest meta-heuristic algorithms in terms of solution quality and computational efficiency, achieving up to 6.6x inference speedup on instances with fewer than 500 nodes. Moreover, the proposed framework is compatible with various constructive solvers and consistently enhances the solution quality for OPTWVP.
Authors: Mina Farajiamiri, Jeta Sopa, Saba Afza, Lisa Adams, Felix Barajas Ordonez, Tri-Thien Nguyen, Mahshad Lotfinia, Sebastian Wind, Keno Bressem, Sven Nebelung, Daniel Truhn, Soroosh Tayebi Arasteh
Abstract: Agentic retrieval-augmented reasoning pipelines are increasingly used to structure how large language models (LLMs) incorporate external evidence in clinical decision support. These systems iteratively retrieve curated domain knowledge and synthesize it into structured reports before answer selection. Although such pipelines can improve performance, their impact on reliability under model variability remains unclear. In real-world deployment, heterogeneous models may align, diverge, or synchronize errors in ways not captured by accuracy. We evaluated 34 LLMs on 169 expert-curated publicly available radiology questions, comparing zero-shot inference with a radiology-specific multi-step agentic retrieval condition in which all models received identical structured evidence reports derived from curated radiology knowledge. Agentic inference reduced inter-model decision dispersion (median entropy 0.48 vs. 0.13) and increased robustness of correctness across models (mean 0.74 vs. 0.81). Majority consensus also increased overall (P<0.001). Consensus strength and robust correctness remained correlated under both strategies (\r{ho}=0.88 for zero-shot; \r{ho}=0.87 for agentic), although high agreement did not guarantee correctness. Response verbosity showed no meaningful association with correctness. Among 572 incorrect outputs, 72% were associated with moderate or high clinically assessed severity, although inter-rater agreement was low (\k{appa}=0.02). Agentic retrieval therefore was associated with more concentrated decision distributions, stronger consensus, and higher cross-model robustness of correctness. These findings suggest that evaluating agentic systems through accuracy or agreement alone may not always be sufficient, and that complementary analyses of stability, cross-model robustness, and potential clinical impact are needed to characterize reliability under model variability.
Authors: Lin Niu, Xin Luo, Linchuan Xie, Yifu Sun, Guanghua Yu, Jianchen Zhu, S Kevin Zhou
Abstract: The quadratic computational complexity of self-attention remains a fundamental bottleneck for scaling Large Language Models (LLMs) to long contexts, particularly during the pre-filling phase. In this paper, we rethink the causal attention mechanism from the perspective of information flow. Due to causal constraints, tokens at initial positions participate in the aggregation of every subsequent token. However, existing sparse methods typically apply a uniform top-k selection across all token positions within a layer, ignoring the cumulative dependency of token information inherent in causal architectures. To address this, we propose Stem, a novel, plug-and-play sparsity module aligned with information flow. First, Stem employs the Token Position-Decay strategy, applying position-dependent top-k within each layer to retain initial tokens for recursive dependencies. Second, to preserve information-rich tokens, Stem utilizes the Output-Aware Metric. It prioritizes high-impact tokens based on approximate output magnitude. Extensive evaluations demonstrate that Stem achieves superior accuracy with reduced computation and pre-filling latency.
Authors: Zongyu Shi, Laibin Zhang, Maoyin Chen
Abstract: The reliability of safety-critical industrial systems hinges on accurate and robust fault diagnosis in rotating machinery. Conventional graph neural networks (GNNs) for machinery fault diagnosis face limitations in modeling complex dynamic interactions due to their reliance on predefined static graph structures and homogeneous aggregation schemes. To overcome these challenges, this paper introduces polarized direct cross-attention (PolaDCA), a novel relational learning framework that enables adaptive message passing through data-driven graph construction. Our approach builds upon a direct cross-attention (DCA) mechanism that dynamically infers attention weights from three semantically distinct node features (such as individual characteristics, neighborhood consensus, and neighborhood diversity) without requiring fixed adjacency matrices. Theoretical analysis establishes PolaDCA's superior noise robustness over conventional GNNs. Extensive experiments on industrial datasets (i.e., XJTUSuprgear, CWRUBearing and Three-Phase Flow Facility datasets) demonstrate state-of-the-art diagnostic accuracy and enhanced generalization under varying noise conditions, outperforming seven competitive baseline methods. The proposed framework provides an effective solution for safety-critical industrial applications.
Authors: Azza Jenane, Nassim Walha, Lukas Kuhn, Florian Buettner
Abstract: Large Language Models (LLMs) that can express interpretable and calibrated uncertainty are crucial in high-stakes domains. While methods to compute uncertainty post-hoc exist, they are often sampling-based and therefore computationally expensive or lack calibration. We propose a three-stage pipeline to post-train LLMs to efficiently infer calibrated uncertainty estimates for their responses. First, we compute fine-grained entropy-based uncertainty scores on the training data, capturing the distributional variability of model outputs in embedding space. Second, these scores are calibrated via Platt scaling, producing reliable and human-interpretable uncertainty signals. Finally, the target LLM is post-trained via reinforcement learning to align its policy with these calibrated signals through a verifiable reward function. Unlike post-hoc uncertainty estimation methods, our approach provides interpretable and computationally efficient uncertainty estimates at test time. Experiments show that models trained with our pipeline achieve better calibration than baselines and generalize to unseen tasks without further processing, suggesting that they learn a robust uncertainty reasoning behavior.
Authors: Yaojun Li, Yulong Yang, Christine Allen-Blanchette
Abstract: While Hamiltonian mechanics provides a powerful inductive bias for neural networks modeling dynamical systems, Hamiltonian Neural Networks and their variants often fail to capture complex temporal dynamics spanning multiple timescales. This limitation is commonly linked to the spectral bias of deep neural networks, which favors learning low-frequency, slow-varying dynamics. Prior approaches have sought to address this issue through symplectic integration schemes that enforce energy conservation or by incorporating geometric constraints to impose structure on the configuration-space. However, such methods either remain limited in their ability to fully capture multiscale dynamics or require substantial domain specific assumptions. In this work, we exploit the observation that Hamiltonian functions admit decompositions into explicit fast and slow modes and can be reconstructed from these components. We introduce the Frequency-Separable Hamiltonian Neural Network (FS-HNN), which parameterizes the system Hamiltonian using multiple networks, each governed by Hamiltonian dynamics and trained on data sampled at distinct timescales. We further extend this framework to partial differential equations by learning a state- and boundary-conditioned symplectic operators. Empirically, we show that FS-HNN improves long-horizon extrapolation performance on challenging dynamical systems and generalizes across a broad range of ODE and PDE problems.
Authors: Charles Meyers, Aaron MacSween, Erik Elmroth, Tommy L\"ofstedt
Abstract: The recent developments in machine learning have highlighted a conflict between online platforms and their users in terms of privacy. The importance of user privacy and the struggle for power over user data has been intensified as regulators and operators attempt to police online platforms. As users have become increasingly aware of privacy issues, client-side data storage, management, and analysis have become a favoured approach to large-scale centralised machine learning. However, state-of-the-art machine learning methods require vast amounts of labelled user data, making them unsuitable for models that reside client-side and only have access to a single user's data. State-of-the-art methods are also computationally expensive, which degrades the user experience on compute-limited hardware and also reduces battery life. A recent alternative approach has proven remarkably successful in classification tasks across a wide variety of data -- using a compression-based distance measure (called normalised compression distance) to measure the distance between generic objects in classical distance-based machine learning methods. In this work, we demonstrate that the normalised compression distance is actually not a metric; develop it for the wider context of kernel methods to allow modelling of complex data; and present techniques to improve the training time of models that use this distance measure. We demonstrate that the normalised compression distance works as well as and sometimes better than other metrics and kernels -- while requiring only marginally more computational costs and in spite of the lack of formal metric properties. The end results is a simple model with remarkable accuracy even when trained on a very small number of samples allowing for models that are small and effective enough to run entirely on a client device using only user-supplied data.
Authors: Mohammadhossein Ghahramani, Mengchu Zhou
Abstract: Accurate fault detection in high-dimensional industrial environments remains a major challenge due to the inherent complexity, noise, and redundancy in sensor data. This paper introduces CLAIRE, i.e., a hybrid end-to-end learning framework that integrates unsupervised deep representation learning with supervised classification for intelligent quality control in smart manufacturing systems. It employs an optimized deep autoencoder to transform raw input into a compact latent space, effectively capturing the intrinsic data structure while suppressing irrelevant or noisy features. The learned representations are then fed into a downstream classifier to perform binary fault prediction. Experimental results on a high-dimensional dataset demonstrate that CLAIRE significantly outperforms conventional classifiers trained directly on raw features. Moreover, the framework incorporates a post hoc phase, using a game-theory-based interpretability technique, to analyze the latent space and identify the most informative input features contributing to fault predictions. The proposed framework highlights the potential of integrating explainable AI with feature-aware regularization for robust fault detection. The modular and interpretable nature of the proposed framework makes it highly adaptable, offering promising applications in other domains characterized by complex, high-dimensional data, such as healthcare, finance, and environmental monitoring.
Authors: Ganzhao Yuan
Abstract: We propose ALFCG (Adaptive Lipschitz-Free Conditional Gradient), the first \textit{adaptive} projection-free framework for stochastic composite nonconvex minimization that \textit{requires neither global smoothness constants nor line search}. Unlike prior conditional gradient methods that use openloop diminishing stepsizes, conservative Lipschitz constants, or costly backtracking, ALFCG maintains a self-normalized accumulator of historical iterate differences to estimate local smoothness and minimize a quadratic surrogate model at each step. This retains the simplicity of Frank-Wolfe while adapting to unknown geometry. We study three variants. ALFCG-FS addresses finite-sum problems with a SPIDER estimator. ALFCG-MVR1 and ALFCG-MVR2 handle stochastic expectation problems by using momentum-based variance reduction with single-batch and two-batch updates, and operate under average and individual smoothness, respectively. To reach an $\epsilon$-stationary point, ALFCG-FS attains $\mathcal{O}(N+\sqrt{N}\epsilon^{-2})$ iteration complexity, while ALFCG-MVR1 and ALFCG-MVR2 achieve $\tilde{\mathcal{O}}(\sigma^2\epsilon^{-4}+\epsilon^{-2})$ and $\tilde{\mathcal{O}}(\sigma\epsilon^{-3}+\epsilon^{-2})$, where $N$ is the number of components and $\sigma$ is the noise level. In contrast to typical $\mathcal{O}(\epsilon^{-4})$ or $\mathcal{O}(\epsilon^{-3})$ rates, our bounds reduce to the optimal rate up to logarithmic factors $\tilde{\mathcal{O}}(\epsilon^{-2})$ as the noise level $\sigma \to 0$. Extensive experiments on multiclass classification over nuclear norm balls and $\ell_p$ balls show that ALFCG generally outperforms state-of-the-art conditional gradient baselines.
Authors: Xianzhi Zhang, Yue Xu, Yinlin Zhu, Di Wu, Yipeng Zhou, Miao Hu, Guocong Quan
Abstract: Multi-modal large language model (MLLM) inference scheduling enables strong response quality under practical and heterogeneous budgets, beyond what a homogeneous single-backend setting can offer. Yet online MLLM task scheduling is nontrivial, as requests vary sharply in modality composition and latent reasoning difficulty, while execution backends incur distinct, time-varying costs due to system jitter and network variation. These coupled uncertainties pose two core challenges: deriving semantically faithful yet scheduling-relevant multi-modal task representations, and making low-overhead online decisions over irreversible multi-dimensional budgets. Accordingly, we propose \emph{M-CMAB} (\underline{M}ulti-modal \underline{M}ulti-constraint \underline{C}ontextual \underline{M}ulti-\underline{A}rmed \underline{B}andit), a multi-adapter-enhanced MLLM inference scheduling framework with three components: (i) a CLS-attentive, frozen-backbone \emph{Predictor} that extracts compact task representations and updates only lightweight adapters for action-specific estimation; (ii) a primal-dual \emph{Constrainer} that maintains online Lagrange multipliers to enforce long-horizon constraints via per-round objectives; and (iii) a two-phase \emph{Scheduler} that balances exploration and exploitation under irreversible budgets. We establish a regret guarantee under multi-dimensional knapsack constraints. On a composite multimodal benchmark with heterogeneous backends, \emph{M-CMAB} consistently outperforms state-of-the-art baselines across budget regimes, achieving up to 14.18% higher reward and closely tracking an oracle-aided upper bound. Codes are available at https://anonymous.4open.science/r/M2CMAB/.
Authors: Chen-Yu Liu, Leonardo Placidi, Eric Brunner, Enrico Rinaldi
Abstract: We propose a Correlation-Complexity Map as a practical diagnostic tool for determining when real-world data distributions are structurally aligned with IQP-type quantum generative models. Characterized by two complementary indicators: (i) a Quantum Correlation-Likeness Indicator (QCLI), computed from the dataset's correlation-order (Walsh-Hadamard/Fourier) power spectrum aggregated by interaction order and quantified via Jensen-Shannon divergence from an i.i.d. binomial reference; and (ii) a Classical Correlation-Complexity Indicator (CCI), defined as the fraction of total correlation not captured by the optimal Chow-Liu tree approximation, normalized by total correlation. We provide theoretical support by relating QCLI to a support-mismatch mechanism, for fixed-architecture IQP families trained with an MMD objective, higher QCLI implies a smaller irreducible approximation floor. Using the map, we identify the classical turbulence data as both IQP-compatible and classically complex (high QCLI/high CCI). Guided by this placement, we use an invertible float-to-bitstring representation and a latent-parameter adaptation scheme that reuses a compact IQP circuit over a temporal sequence by learning and interpolating a low-dimensional latent trajectory. In comparative evaluations against classical models such as Restricted Boltzmann Machine (RBM) and Deep Convolutional Generative Adversarial Networks (DCGAN), the IQP approach achieves competitive distributional alignment while using substantially fewer training snapshots and a small latent block, supporting the use of QCLI/CCI as practical indicators for locating IQP-aligned domains and advancing generative quantum utility.
Authors: Ethan Smith (Canva Research)
Abstract: We introduce NOBLE (Nonlinear lOw-rank Branch for Linear Enhancement), an architectural augmentation that adds nonlinear low-rank branches to transformer linear layers. Unlike LoRA and other parameter-efficient fine-tuning (PEFT) methods, NOBLE is designed for pretraining from scratch. The branch is a permanent part of the architecture as opposed to an adapter for finetuning on top of frozen weights. The branch computes {\sigma}(xWdown)Wup where {\sigma} is a learnable nonlinearity. We evaluate several activation functions and find that CosNet, a two-layer cosine nonlinearity with learnable frequency and phase with a linear projection in between them in the bottleneck space, performs best. NOBLE achieves substantial improvements with minimal overhead: up to 1.47x step speedup to reach baseline eval loss (up to 32% fewer training steps), with as low as 4% additional parameters and 7% step time overhead, resulting in up to 1.22x net wallclock speedup. Experiments on LLMs (250M and 1.5B parameters), BERT, VQGAN, and ViT consistently show improved training efficiency. We identify one caveat: Mixup/CutMix augmentation interferes with NOBLE's benefits in Imagenet classification along with other stochastic augmentations, but when disabled, ViT also improves. This discrepancy is possibly explained by regularization techniques that encourage smoother fits to the target function while NOBLE may specialize more in sharper aspects of the target function.
Authors: Kartik Sharma, Rakshit S. Trivedi
Abstract: Activation steering methods enable inference-time control of large language model (LLM) behavior without retraining, but current approaches face a fundamental trade-off: sample-efficient methods suboptimally capture steering signals from labeled examples, while methods that better extract these signals require hundreds to thousands of examples. We introduce COLD-Steer, a training-free framework that steers LLM activations by approximating the representational changes that would result from gradient descent on in-context examples. Our key insight is that the effect of fine-tuning on a small set of examples can be efficiently approximated at inference time without actual parameter updates. We formalize this through two complementary approaches: (i) a unit kernel approximation method that updates the activations directly using gradients with respect to them, normalized across examples, and (ii) a finite-difference approximation requiring only two forward passes regardless of example count. Experiments across a variety of steering tasks and benchmarks demonstrate that COLD-Steer achieves upto 95% steering effectiveness while using 50 times fewer samples compared to the best baseline. COLD-Steer facilitates accommodating diverse perspectives without extensive demonstration data, which we validate through our experiments on pluralistic alignment tasks. Our framework opens new possibilities for adaptive, context-aware model control that can flexibly address varying loss-driven human preferences through principled approximation of learning dynamics rather than specialized training procedures.
Authors: Qitong Wang, Haoran Dai, Haotian Zhang, Christopher Rasmussen, Binghui Wang
Abstract: While diffusion models have revolutionized visual content generation, their rapid adoption has underscored the critical need to investigate vulnerabilities, e.g., to backdoor attacks. In multimodal diffusion models, it is natural to expect that attacking multiple modalities simultaneously (e.g., text and image) would yield complementary effects and strengthen the overall backdoor. In this paper, we challenge this assumption by investigating the phenomenon of Backdoor Modality Collapse, a scenario where the backdoor mechanism degenerates to rely predominantly on a subset of modalities, rendering others redundant. To rigorously quantify this behavior, we introduce two novel metrics: Trigger Modality Attribution (TMA) and Cross-Trigger Interaction (CTI). Through extensive experiments across diverse training configurations in multimodal conditional diffusion, we consistently observe a ``winner-takes-all'' dynamic in backdoor behavior. Our results reveal that (1) attacks often collapse into subset-modality dominance, and (2) cross-modal interaction is negligible or even negative, contradicting the intuition of synergistic vulnerability. These findings highlight a critical blind spot in current assessments, suggesting that high attack success rates often mask a fundamental reliance on a subset of modalities. This establishes a principled foundation for mechanistic analysis and future defense development.
Authors: Harshavardhan Kamarthi, Shangqing Xu, Xinjie Tong, Xingyu Zhou, James Peters, Joseph Czyzyk, B. Aditya Prakash
Abstract: Hierarchical time-series forecasting is essential for demand prediction across various industries. While machine learning models have obtained significant accuracy and scalability on such forecasting tasks, the interpretability of their predictions, informed by application, is still largely unexplored. To bridge this gap, we introduce a novel interpretability method for large hierarchical probabilistic time-series forecasting, adapting generic interpretability techniques while addressing challenges associated with hierarchical structures and uncertainty. Our approach offers valuable interpretative insights in response to real-world industrial supply chain scenarios, including 1) the significance of various time-series within the hierarchy and external variables at specific time points, 2) the impact of different variables on forecast uncertainty, and 3) explanations for forecast changes in response to modifications in the training dataset. To evaluate the explainability method, we generate semi-synthetic datasets based on real-world scenarios of explaining hierarchical demands for over ten thousand products at a large chemical company. The experiments showed that our explainability method successfully explained state-of-the-art industrial forecasting methods with significantly higher explainability accuracy. Furthermore, we provide multiple real-world case studies that show the efficacy of our approach in identifying important patterns and explanations that help stakeholders better understand the forecasts. Additionally, our method facilitates the identification of key drivers behind forecasted demand, enabling more informed decision-making and strategic planning. Our approach helps build trust and confidence among users, ultimately leading to better adoption and utilization of hierarchical forecasting models in practice.
Authors: Joshua Brendan Melander, Zaki Alaoui, Shenghua Liu, Surya Ganguli, Stephen A. Baccus
Abstract: Understanding how neural networks transform inputs into outputs is crucial for interpreting and manipulating their behavior. Most existing approaches analyze internal representations by identifying hidden-layer activation patterns correlated with human-interpretable concepts. Here we take a direct approach to examine how hidden neurons act to drive network outputs. We introduce CODEC (Contribution Decomposition), a method that uses sparse autoencoders to decompose network behavior into sparse motifs of hidden-neuron contributions, revealing causal processes that cannot be determined by analyzing activations alone. Applying CODEC to benchmark image-classification networks, we find that contributions grow in sparsity and dimensionality across layers and, unexpectedly, that they progressively decorrelate positive and negative effects on network outputs. We further show that decomposing contributions into sparse modes enables greater control and interpretation of intermediate layers, supporting both causal manipulations of network output and human-interpretable visualizations of distinct image components that combine to drive that output. Finally, by analyzing state-of-the-art models of neural activity in the vertebrate retina, we demonstrate that CODEC uncovers combinatorial actions of model interneurons and identifies the sources of dynamic receptive fields. Overall, CODEC provides a rich and interpretable framework for understanding how nonlinear computations evolve across hierarchical layers, establishing contribution modes as an informative unit of analysis for mechanistic insights into artificial neural networks.
Authors: Eric Qu, Brandon M. Wood, Aditi S. Krishnapriyan, Zachary W. Ulissi
Abstract: Machine-learning interatomic potentials (MLIPs) have advanced rapidly, with many top models relying on strong physics-based inductive biases. However, as models scale to larger systems like biomolecules and electrolytes, they struggle to accurately capture long-range (LR) interactions, leading current approaches to rely on explicit physics-based terms or components. In this work, we propose AllScAIP, a straightforward, attention-based, and energy-conserving MLIP model that scales to O(100 million) training samples. It addresses the long-range challenge using an all-to-all node attention component that is data-driven. Extensive ablations reveal that in low-data/small-model regimes, inductive biases improve sample efficiency. However, as data and model size scale, these benefits diminish or even reverse, while all-to-all attention remains critical for capturing LR interactions. Our model achieves state-of-the-art energy/force accuracy on molecular systems, as well as a number of physics-based evaluations (OMol25), while being competitive on materials (OMat24) and catalysts (OC20). Furthermore, it enables stable, long-timescale MD simulations that accurately recover experimental observables, including density and heat of vaporization predictions.
Authors: Raffaele Mattera, Michelangelo Misuraca, Germana Scepi, Maria Spano
Abstract: Selecting an appropriate statistical model to forecast exchange rates is still today a relevant issue for policymakers and central bankers. The so-called Meese and Rogoff puzzle assesses that exchange rate fluctuations are unpredictable. In the literature, a lot of studies tried to solve the puzzle finding alternative predictors and statistical models based on temporal aggregation. In this paper, we propose an approach based on mixed frequency models to overcome the lack of information caused by temporal aggregation. We show the effectiveness of our approach in comparison with other proposed methods by performing CAD/USD exchange rate predictions.
Authors: Sadia Asif, Mohammad Mohammadi Amiri
Abstract: Sequential multi-agent large language model (LLM) systems are increasingly deployed in sensitive domains such as healthcare, finance, and enterprise decision-making, where multiple specialized agents collaboratively process a single user request. Although individual agents may satisfy local privacy constraints, sensitive information can still be inferred through sequential composition and intermediate representations. In this work, we study \emph{compositional privacy leakage} in sequential LLM agent pipelines. We formalize leakage using mutual information and derive a theoretical bound that characterizes how locally introduced leakage can amplify across agents under sequential execution. Motivated by this analysis, we propose a privacy-regularized training framework that directly constrains information flow between agent outputs and agent-local sensitive variables. We evaluate our approach across sequential agent pipelines of varying depth on three benchmark datasets, demonstrating stable optimization dynamics and consistent, interpretable privacy-utility trade-offs. Our results show that privacy in agentic LLM systems cannot be guaranteed by local constraints alone and must instead be treated as a system-level property during both training and deployment.
Authors: Ali Shamsaddinlou
Abstract: Recent advances in vision language models (VLMs) have shown strong potential for spatial reasoning and 3D scene layout generation from open-ended language instructions. However, generating layouts that are not only semantically coherent but also feasible for interaction by embodied agents remains challenging, particularly in physically constrained indoor environments. In this paper, RoboLayout is introduced as an extension of LayoutVLM that augments the original framework with agent-aware reasoning and improved optimization stability. RoboLayout integrates explicit reachability constraints into a differentiable layout optimization process, enabling the generation of layouts that are navigable and actionable by embodied agents. Importantly, the agent abstraction is not limited to a specific robot platform and can represent diverse entities with distinct physical capabilities, such as service robots, warehouse robots, humans of different age groups, or animals, allowing environment design to be tailored to the intended agent. In addition, a local refinement stage is proposed that selectively reoptimizes problematic object placements while keeping the remainder of the scene fixed, improving convergence efficiency without increasing global optimization iterations. Overall, RoboLayout preserves the strong semantic alignment and physical plausibility of LayoutVLM while enhancing applicability to agent-centric indoor scene generation, as demonstrated by experimental results across diverse scene configurations.
Authors: Yuewen Huang, Zhitao Ye, Guangnan Feng, Fudan Zheng, Xia Gao, Yutong Lu
Abstract: Lupus nephritis (LN) is a severe complication of systemic lupus erythematosus that affects pediatric patients with significantly greater severity and worse renal outcomes compared to adults. Despite the urgent clinical need, predicting pediatric LN prognosis remains unexplored in computational pathology. Furthermore, the only existing histopathology-based approach for LN relies on multiple costly staining protocols and fails to integrate complementary clinical data. To address these gaps, we propose the first multimodal computational pathology framework for three-class treatment response prediction (complete remission, partial response, and no response) in pediatric LN, utilizing only routine PAS-stained biopsies and structured clinical data. Our framework introduces two key methodological innovations. First, a Clinical-Injection Transformer (CIT) embeds clinical features as condition tokens into patch-level self-attention, facilitating implicit and bidirectional cross-modal interactions within a unified attention space. Second, we design a decoupled representation-knowledge adaptation strategy using a domain-adapted Masked Autoencoder (MAE). This strategy explicitly separates self-supervised morphological feature learning from pathological knowledge extraction. Additionally, we introduce a multi-granularity morphological type injection mechanism to bridge distilled classification knowledge with downstream prognostic predictions at both the instance and patient levels. Evaluated on a cohort of 71 pediatric LN patients with KDIGO-standardized labels, our method achieves a three-class accuracy of 90.1% and an AUC of 89.4%, demonstrating its potential as a highly accurate and cost-effective prognostic tool.
Authors: Faruk Alpay, Bilge Senturk
Abstract: We study grammar-constrained decoding (GCD) as a coupling between an autoregressive next-token distribution and a reachability oracle over a pushdown system compiled from a context-free grammar (CFG). We prove an oracle invariance theorem: language-equivalent grammars induce identical admissible next-token sets for every prefix, hence identical logit masks, yet can yield provably different compiled state spaces and online ambiguity costs. We give exact control-state blowup counts for the canonical $a^n b^n$ language under redundant nonterminal delegation, and introduce a left-to-right structural ambiguity cost (SAC) measuring incremental packed-parse-forest growth per token. For two equivalent grammars over all finite strings, SAC is $O(1)$ per token under right-recursion but $\Theta(t^2)$ per token and $\Theta(n^3)$ cumulatively under concatenation. We establish engine-independent lower bounds: any sound, retrieval-efficient, parse-preserving online masking engine must incur $\Omega(t^2)$ work per token on a specific constant-size CFG family, unconditionally within this model. We define decoding-cost equivalence classes of grammars and prove existence of minimal-SAC representatives within bounded rewrite families. Finally, we characterize the true conditional sampler via a Doob $h$-transform and derive sharp one-step KL and total-variation distortion bounds for hard-masked decoding in terms of survival-probability spread among admissible next tokens. We integrate these results with Transformer and Mixture-of-Experts architectures, derive latency envelopes in terms of vocabulary size, active state sets, and beam width, and connect SAC to instrumentation-based predictive performance models and automated grammar optimization.
Authors: Bruno Hebling Vieira (Methods of Plasticity Research, Department of Psychology, University of Zurich, Zurich, Switzerland)
Abstract: Proper scoring rules are essential for evaluating probabilistic forecasts. We propose a simple algebraic rearrangement of the Yates covariance decomposition of the Brier score into three independently non-negative terms: a variance mismatch term, a correlation deficit term, and a calibration-in-the-large term. This rearrangement makes the optimality conditions for perfect forecasting transparent: the optimal forecast must simultaneously match the variance of outcomes, achieve perfect positive correlation with outcomes, and match the mean of outcomes. Any deviation from these conditions results in a positive contribution to the Brier score.
Authors: Wenhai Cui, Wen Su, Xingqiu Zhao
Abstract: Integrative analysis of multiple datasets for estimating optimal individualized treatment rules (ITRs) can enhance decision efficiency. A central challenge is posterior shift, wherein the conditional distribution of potential outcomes given covariates differs between source and target populations. We propose a prior information-based distributionally robust ITR (PDRO-ITR) that maximizes the worst-case policy value over a covariate-dependent distributional uncertainty set, ensuring robust performance under posterior shift. The uncertainty set is constructed as an individualized combination of source distributions, with weights combining prior source-membership probabilities and deviation terms constrained to the probability simplex to accommodate posterior shift. We derive a closed-form solution for the PDRO-ITR and develop an adaptive procedure to tune the uncertainty level. We establish risk bounds for the PDRO-ITR estimator, which guarantees robust performance under the worst case. Extensive simulations and two real-data applications demonstrate that the proposed method achieves superior performance compared to existing approaches.
Authors: Francesco Massafra, Samuele Punzo, Silvia Giulia Galfr\'e, Alessandro Maglione, Simone Pernice, Stefano Forti, Simona Rolla, Marco Beccuti, Marinella Clerico, Corrado Priami, Alina S\^irbu
Abstract: Multiple Sclerosis (MS) is a chronic autoimmune disease of the central nervous system whose molecular mechanisms remain incompletely understood. In this study, we developed an end-to-end machine learning pipeline to analyze transcriptomic data from peripheral blood mononuclear cells and cerebrospinal fluid, integrating both bulk microarray and single-cell RNA sequencing datasets (concentrating on CD4+ and B-cells). After rigorous preprocessing, batch correction, and gene declustering, XGBoost classifiers were trained to distinguish MS patients from healthy controls. Explainable AI tools, namely SHapley Additive exPlanations (SHAP), were employed to identify key genes driving classification, and results were compared with Differential Expression Analysis (DEA). SHAP-prioritized genes were further investigated through interaction networks and pathway enrichment analyses. The models achieved strong performance, particularly in CSF B-cells (AUC=0.94) and microarray (AUC=0.86). SHAP gene selection proved to be complementary to classical DEA. Gene clusters identified across multiple datasets highlighted immune activation, non-canonical immune checkpoints (ITK, CLEC2D, KLRG1, CEACAM1), ribosomal and translational programs, ubiquitin-proteasome regulation, lipid trafficking, and Epstein-Barr virus-related pathways. Our integrative and explainable framework reveals complementary insights beyond conventional analysis and provides novel mechanistic hypotheses and potential biomarkers for MS pathogenesis.
Authors: Yang Sui, Jin Zhou, Hua Zhou, Xiaowu Dai
Abstract: We study prediction-powered conditional inference in the setting where labeled data are scarce, unlabeled covariates are abundant, and a black-box machine-learning predictor is available. The goal is to perform statistical inference on conditional functionals evaluated at a fixed test point, such as conditional means, without imposing a parametric model for the conditional relationship. Our approach combines localization with prediction-based variance reduction. First, we introduce a reproducing kernel-based localization method that learns a data-adaptive weight function from covariates and reformulates the target conditional moment at the test point as a weighted unconditional moment. Second, we incorporate machine-learning predictions through a correction-based decomposition of this localized moment, yielding a prediction-powered estimator and confidence interval that reduce variance when the predictor is informative while preserving validity regardless of predictor accuracy. We establish nonasymptotic error bounds and minimax-optimal convergence rates for the resulting estimator, prove pointwise asymptotic normality with consistent variance estimation, and provide an explicit variance decomposition that characterizes how machine-learning predictions and unlabeled covariates improve statistical efficiency. Numerical experiments on simulated and real datasets demonstrate valid conditional coverage and substantially sharper confidence intervals than alternative methods.
Authors: Nikos Chazaridis, Mohammad Belal, Rafael Mestre, Timothy J. Norman, Christine Evers
Abstract: Human speech contains both linguistic content and speaker dependent characteristics making speaker verification a key technology in identity critical applications. Modern deep learning speaker verification systems aim to learn speaker representations that are invariant to semantic content and nuisance factors such as ambient noise. However, many existing approaches depend on labelled data, textual supervision or large pretrained models as feature extractors, limiting scalability and practical deployment, raising sustainability concerns. We propose Deep Koopman Speech Disentanglement Autoencoder (DKSD-AE), a structured autoencoder that combines a novel multi-step Koopman operator learning module with instance normalization to disentangle speaker and content dynamics. Quantitative experiments across multiple datasets demonstrate that DKSD-AE achieves improved or competitive speaker verification performance compared to state-of-the-art baselines while maintaining high content EER, confirming effective disentanglement. These results are obtained with substantially fewer parameters and without textual supervision. Moreover, performance remains stable under increased evaluation scale, highlighting representation robustness and generalization. Our findings suggest that Koopman-based temporal modelling, when combined with instance normalization, provides an efficient and principled solution for speaker-focused representation learning.
Authors: Xusheng Luo, Changliu Liu
Abstract: Keypoint detection underpins many vision tasks, including pose estimation, viewpoint recovery, and 3D reconstruction, yet modern neural models remain vulnerable to small input perturbations. Despite its importance, formal robustness verification for keypoint detectors is largely unexplored due to high-dimensional inputs and continuous coordinate outputs. We propose the first coupled robustness verification framework for heatmap-based keypoint detectors that bounds the joint deviation across all keypoints, capturing their interdependencies and downstream task requirements. Unlike prior decoupled, classification-style approaches that verify each keypoint independently and yield conservative guarantees, our method verifies collective behavior. We formulate verification as a falsification problem using a mixed-integer linear program (MILP) that combines reachable heatmap sets with a polytope encoding joint deviation constraints. Infeasibility certifies robustness, while feasibility provides counterexamples, and we prove the method is sound: if it certifies the model as robust, then the keypoint detection model is guaranteed to be robust. Experiments show that our coupled approach achieves high verified rates and remains effective under strict error thresholds where decoupled methods fail.
Authors: Eva Yezerets, En Yang, Misha B. Ahrens, Adam S. Charles
Abstract: Brain-wide recordings of large-scale networks of neurons now provide an unprecedented view into how the brain drives behavior. However, brain activity contains both information directly related to behavior as well as the potential for many internal computations. Moreover, observable behavior is executed not only by the brain, but also by the spinal cord and peripheral nervous system. Behavior is a coarse-grained product of neural activity, and we thus take the view that it can be best represented by lower-dimensional latent neural dynamics. Capturing this indirect relationship while disambiguating behavior-generating networks from internal computations running in parallel requires new modeling approaches that can embody the parallel and distributed nature of large-scale neural populations. We thus present behavior-decomposed linear dynamical systems (b-dLDS) to disentangle simultaneously recorded subsystems and identify how the latent neural subsystems relate to behavior. We demonstrate the ability of b-dLDS to decouple behavioral vs. internal computations on controlled, simulated data, showing improvements over a state-of-the-art model that uses behavior to supervise all dynamics based on behavior. We then show that b-dLDS can further scale up to tens of thousands of neurons by applying our model to large-scale recording of a zebrafish hindbrain during the complex positional homeostasis behavior, wherein b-dLDS highlights behavior-related dynamic connectivity networks.
Authors: Dylan R. Ashley, Jan Przepi\'ora, Yimeng Chen, Ali Abualsaud, Nurzhan Yesmagambet, Shinkyu Park, Eric Feron, J\"urgen Schmidhuber
Abstract: Many robotic platforms expose an API through which external software can command their actuators and read their sensors. However, transitioning from these low-level interfaces to high-level autonomous behaviour requires a complicated pipeline, whose components demand distinct areas of expertise. Existing approaches to bridging this gap either require retraining for every new embodiment or have only been validated across structurally similar platforms. We introduce RACAS (Robot-Agnostic Control via Agentic Systems), a cooperative agentic architecture in which three LLM/VLM-based modules (Monitors, a Controller, and a Memory Curator) communicate exclusively through natural language to provide closed-loop robot control. RACAS requires only a natural language description of the robot, a definition of available actions, and a task specification; no source code, model weights, or reward functions need to be modified to move between platforms. We evaluate RACAS on several tasks using a wheeled ground robot, a recently published novel multi-jointed robotic limb, and an underwater vehicle. RACAS consistently solved all assigned tasks across these radically different platforms, demonstrating the potential of agentic AI to substantially reduce the barrier to prototyping robotic solutions.
Authors: Tongda Xu, Mingwei He, Shady Abu-Hussein, Jose Miguel Hernandez-Lobato, Haotian Zhang, Kai Zhao, Chao Zhou, Ya-Qin Zhang, Yan Wang
Abstract: It is well known that the reconstruction FID (rFID) of a VAE is poorly correlated with the generation FID (gFID) of a latent diffusion model. We propose interpolated FID (iFID), a simple variant of rFID that exhibits a strong correlation with gFID. Specifically, for each element in the dataset, we retrieve its nearest neighbor (NN) in the latent space and interpolate their latent representations. We then decode the interpolated latent and compute the FID between the decoded samples and the original dataset. Additionally, we refine the claim that rFID correlates poorly with gFID, by showing that rFID correlates with sample quality in the diffusion refinement phase, whereas iFID correlates with sample quality in the diffusion navigation phase. Furthermore, we provide an explanation for why iFID correlates well with gFID, and why reconstruction metrics are negatively correlated with gFID, by connecting to results in the diffusion generalization and hallucination. Empirically, iFID is the first metric to demonstrate a strong correlation with diffusion gFID, achieving Pearson linear and Spearman rank correlations approximately 0.85. The source code is provided in https://github.com/tongdaxu/Making-rFID-Predictive-of-Diffusion-gFID.
URLs: https://github.com/tongdaxu/Making-rFID-Predictive-of-Diffusion-gFID.
Authors: Wisdom Ikezogwo, Mehmet Saygin Seyfioglu, Ranjay Krishna, Karim Bouyarmane
Abstract: Reinforcement learning with verifiable rewards (RLVR) and Rubrics as Rewards (RaR) have driven strong gains in domains with clear correctness signals and even in subjective domains by synthesizing evaluation criteria from ideal reference answers. But many real-world tasks admit multiple valid outputs and lack the single ideal answer that rubric generation depends on. We identify this reference-free setting as a gap in current post-training methods and propose Implicit Error Counting (IEC) to fill it. Instead of checking what a response gets right against a rubric, IEC enumerates what it gets wrong, applying severity-weighted scores across task-relevant axes and converting them into calibrated per-aspect rewards. We show that na\"ive explicit enumeration is too noisy for stable optimization, and that two design choices: implicit score emission and group calibration are necessary to make error counting a reliable reward. As a case study, we validate IEC on virtual try-on (VTO), a domain that is simultaneously too constrained for holistic scoring and too permissive for rubric-based evaluation: subtle garment errors are unacceptable, yet many output variations are correct. We introduce Cascaded Error Counting (CEC) as an evaluation metric, which tracks human preferences well (60% top-1 vs. 30% others), and curate Mismatch-DressCode (MDressBench), a benchmark with maximal attribute mismatch to stress-test reward designs. On MDressBench, IEC outperforms RaR across all metrics (CEC: 5.31 vs. 5.60 on flat references; 5.20 vs. 5.53 on non-flat). On VITON-HD and DressCode, IEC matches or surpasses six baselines on 6 of 8 perceptual metrics. These results suggest that when ideal answers are unavailable, counting errors provide a stronger signal than constructing rubrics.
Authors: Burak Topcu, Musa Oguzhan Cim, Poovaiah Palangappa, Meena Arunachalam, Mahmut Taylan Kandemir
Abstract: Breakthroughs in the generative AI domain have fueled an explosion of large language model (LLM)-powered applications, whose workloads fundamentally consist of sequences of inferences through transformer architectures. Within this rapidly expanding ecosystem, dense LLMs--those that activate all model parameters for each token generation--form the foundation for advanced expert-based variants. Dense models continue to dominate because of their strong generalization ability, scalability, ease of fine-tuning, and versatility across diverse tasks. In LLM inference systems, performance is mainly characterized by latency, response time, and throughput (i.e., tokens generated per unit of time). Latency and throughput are inherently coupled: optimizing for one often comes at the expense of the other. Moreover, batching strategies and parallelism configurations, which are essential when dense model parameters exceed device memory capacity, can significantly affect both latency and overall system throughput. This paper (i) investigates the workloads of two representative dense LLMs--Llama-3.1-70B and Llama-3.1-405B, focusing in particular on intra-node parallelization schemes, (ii) analyzes how input characteristics, batching, and parallelism strategies influence latency flexibility and the latency-throughput tradeoff, and (iii) identifies key performance bottlenecks that inform design choices for meeting service-level agreements (SLAs) and sustaining inference quality. Our empirical evaluations reveal that Tensor Parallelism (TP) improves the latency objectives while Pipeline Parallelism (PP) is better-suited for throughput-oriented applications. We highlight that their hybrid usage by controlling the TP and PP degrees provides control over the latency-throughput interplay.
Authors: Giulio Valentino Dalla Riva
Abstract: Can we learn the differential equations governing the evolution of a temporal network? We investigate this within Random Dot Product Graphs (RDPGs), where each network snapshot is generated from latent positions evolving under unknown dynamics. We identify three fundamental obstructions: gauge freedom from rotational ambiguity in latent positions, realizability constraints from the manifold structure of the probability matrix, and trajectory recovery artifacts from spectral embedding. We develop a geometric framework based on principal fiber bundles that formalizes these obstructions. We characterize invisible dynamics as exactly the skew-symmetric generators, and show the realizable tangent space has dimension $nd - d(d-1)/2$. An holonomy dichotomy emerges: polynomial dynamics have commuting generators, stationary eigenvectors, and trivial holonomy, making gauge alignment purely statistical; Laplacian dynamics satisfy a non-commutativity criterion producing nontrivial holonomy, with curvature weighted by $1/(\lambda_\iota + \lambda_\gamma)$ linking gauge sensitivity to the spectral gap. In $d=2$ this yields full restricted holonomy $\mathrm{SO}(2)$; for $d \ge 3$ generic full $\mathrm{SO}(d)$ remains conjectural. Cram'er--Rao lower bounds reveal that the same spectral gap controlling curvature and injectivity simultaneously controls Fisher information, so geometric and statistical difficulty are inextricable. We prove an identifiability principle: symmetric dynamics cannot absorb skew-symmetric gauge contamination, so dynamics structure can resolve gauge ambiguity. We demonstrate this constructively with anchor-based alignment and a UDE pipeline recovering vector fields from noisy graph sequences. Yet finite-sample interactions between noise, gauge, and dynamics expressiveness remain beyond the asymptotic theory. We frame this gap as an open challenge.
Authors: Amirpasha Mozaffari, Amanda Duarte, Lina Teckentrup, Stefano Materia, Gina E. C. Charnley, Lluis Palma, Eulalia Baulenas Serra, Dragana Bojovic, Paula Checchia, Aude Carreric, Francisco Doblas-Reyes
Abstract: The rapid adoption of AI in Earth system science promises unprecedented speed and fidelity in the generation of climate information. However, this technological prowess rests on a fragile and unequal foundation: the current trajectory of AI development risks further automating and amplifying the North-South divide in the global climate information system. We outline the global asymmetry in High-Performance Computing and data infrastructure, demonstrating that the development of foundation models is almost exclusively concentrated in the Global North. Using three different domains, we show how this infrastructure inequality continues through models' inputs, processes and outputs. As an example, in weather and climate modelling, the reliance on historically biased data leads to systematic performance gaps that disproportionately affect the most vulnerable regions. In climate impact modelling, data sparsity and unrepresentative validation risk driving misleading interventions and maladaptation. Finally, in large language models, dependence on dominant textualised forms of climate knowledge risks reinforcing existing biases. We conclude that addressing these disparities demands revisiting the three phases, i.e. models Input, Process and Output. This involves (i) a perspective shift from model-centric to data-centric development, (ii) the establishment of a Climate Digital Public Infrastructure and human-centric evaluation metrics, and (iii) a move from producer-consumer dynamics toward knowledge co-production. This integration of diverse knowledge systems would truly democratise compute sovereignty and ensure that the AI revolution fosters genuine systemic resilience rather than exacerbating inequity.
Authors: Ian J. Maquignaz
Abstract: Accurate environment maps are a key component to modelling real-world outdoor scenes. They enable captivating visual arts, immersive virtual reality and a wide range of scientific and engineering applications. To alleviate the burden of physical-capture, physically-simulation and volumetric rendering, sky-models have been proposed as fast, flexible, and cost-saving alternatives. In recent years, sky-models have been extended through deep learning to be more comprehensive and inclusive of cloud formations, but recent work has demonstrated these models fall short in faithfully recreating accurate and photorealistic natural skies. Particularly at higher resolutions, DNN sky-models struggle to accurately model the 14EV+ class-imbalanced solar region, resulting in poor visual quality and scenes illuminated with skewed light transmission, shadows and tones. In this work, we propose Icarus, an all-weather sky-model capable of learning the exposure range of Full Dynamic Range (FDR) physically captured outdoor imagery. Our model allows conditional generation of environment maps with intuitive user-positioning of solar and cloud formations, and extends on current state-of-the-art to enable user-controlled texturing of atmospheric formations. Through our evaluation, we demonstrate Icarus is interchangeable with FDR physically captured outdoor imagery or parametric sky-models, and illuminates scenes with unprecedented accuracy, photorealism, lighting directionality (shadows), and tones in Image Based Lightning (IBL).
Authors: Jinman Wu, Yi Xie, Shen Lin, Shiqian Zhao, Xiaofeng Chen
Abstract: Safety alignment is often conceptualized as a monolithic process wherein harmfulness detection automatically triggers refusal. However, the persistence of jailbreak attacks suggests a fundamental mechanistic decoupling. We propose the \textbf{\underline{D}}isentangled \textbf{\underline{S}}afety \textbf{\underline{H}}ypothesis \textbf{(DSH)}, positing that safety computation operates on two distinct subspaces: a \textit{Recognition Axis} ($\mathbf{v}_H$, ``Knowing'') and an \textit{Execution Axis} ($\mathbf{v}_R$, ``Acting''). Our geometric analysis reveals a universal ``Reflex-to-Dissociation'' evolution, where these signals transition from antagonistic entanglement in early layers to structural independence in deep layers. To validate this, we introduce \textit{Double-Difference Extraction} and \textit{Adaptive Causal Steering}. Using our curated \textsc{AmbiguityBench}, we demonstrate a causal double dissociation, effectively creating a state of ``Knowing without Acting.'' Crucially, we leverage this disentanglement to propose the \textbf{Refusal Erasure Attack (REA)}, which achieves State-of-the-Art attack success rates by surgically lobotomizing the refusal mechanism. Furthermore, we uncover a critical architectural divergence, contrasting the \textit{Explicit Semantic Control} of Llama3.1 with the \textit{Latent Distributed Control} of Qwen2.5. The code and dataset are available at https://anonymous.4open.science/r/DSH.
Authors: Nikolaos Al. Papadopoulos, Konstantinos Psannis
Abstract: Multi-agent coordination dilemmas expose a fundamental tension between individual optimization and collective welfare, yet characterizing such coordination requires metrics sensitive to temporal structure and collective dynamics. As a diagnostic testbed, we study a BoE-derived multi-agent variant of the Battle of the Exes, formalizing it as a Markov game in which turn-taking emerges as a periodic coordination regime. Conventional outcome-based metrics (e.g., efficiency and min/max fairness) are temporally blind -- they cannot distinguish structured alternation from monopolistic or random access patterns -- and fairness ratios lose discriminative power as n grows, obscuring inequities. To address this limitation, we introduce Perfect Alternation (PA) as a reference coordination regime and propose six novel Alternation (ALT) metrics designed as temporally sensitive observables of coordination quality. Using Q-learning agents as a minimal adaptive diagnostic baseline, and comparing against random-policy null processes, we uncover a clear measurement failure: despite exhibiting deceptively high traditional metrics (e.g., reward fairness often exceeding 0.9), learned policies perform up to 81% below random baselines under ALT-variant evaluation -- a deficit already present in the two-agent case and intensifying as n grows. These results demonstrate, in this setting, that high aggregate payoffs can coexist with poor temporal coordination, and that conventional metrics may severely mischaracterize emergent dynamics. Our findings underscore the necessity of temporally aware observables for analyzing coordination in multi-agent games and highlight random-policy baselines as essential null processes for interpreting coordination outcomes relative to chance-level behavior.
Authors: Salim Khazem
Abstract: Deep vision classifiers often achieve high accuracy while remaining poorly calibrated and fragile under small distribution shifts. We present Margin and Consistency Supervision (MaCS), a simple, architecture-agnostic regularization framework that jointly enforces logit-space separation and local prediction stability. MaCS augments cross-entropy with (i) a hinge-squared margin penalty that enforces a target logit gap between the correct class and the strongest competitor, and (ii) a consistency regularizer that minimizes the KL divergence between predictions on clean inputs and mildly perturbed views. We provide a unifying theoretical analysis showing that increasing classification margin while reducing local sensitivity formalized via a Lipschitz-type stability proxy yields improved generalization guarantees and a provable robustness radius bound scaling with the margin-to-sensitivity ratio. Across several image classification benchmarks and several backbones spanning CNNs and Vision Transformers, MaCS consistently improves calibration (lower ECE and NLL) and robustness to common corruptions while preserving or improving top-1 accuracy. Our approach requires no additional data, no architectural changes, and negligible inference overhead, making it an effective drop-in replacement for standard training objectives.
Authors: Juyong Jiang, Jiasi Shen, Sunghun Kim, Kang Min Yoo, Jeonghoon Kim, Sungju Kim
Abstract: While Large Language Models (LLMs) have revolutionized code generation, standard "System 1" approaches, generating solutions in a single forward pass, often hit a performance ceiling when faced with complex algorithmic tasks. Existing iterative refinement strategies attempt to bridge this gap at inference time, yet they predominantly rely on external oracles, execution feedback, or computationally expensive prompt-response cycles. In this work, we propose ReflexiCoder, a novel reinforcement learning (RL) framework that internalizes the structured reasoning trajectory, encompassing initial generation, bug and optimization aware reflection, and self-correction, directly into the model's weights. Unlike prior methods, ReflexiCoder shifts the paradigm from external-dependent refinement to an intrinsic, fully autonomous self-reflection and self-correction capabilities at inference time. We utilize an RL-zero training paradigm with granular reward functions to optimize the entire reflection-correction trajectory, teaching the model how to debug without reliance on ground-truth feedback or execution engines at inference time. Extensive experiments across seven benchmarks demonstrate that our ReflexiCoder-8B establishes a new state-of-the-art (SOTA) among leading open-source models in the 1.5B-14B range, achieving 94.51% (87.20%) on HumanEval (Plus), 81.80% (78.57%) on MBPP (Plus), 35.00% on BigCodeBench, 52.21% on LiveCodeBench, and 37.34% on CodeForces in a single-attempt setting, rivaling or surpassing proprietary models like GPT-5.1. Notably, our framework is significantly more token-efficient than base models, reducing inference-time compute overhead by approximately 40% through disciplined, high-speed reasoning and reflection patterns. Source code is available at https://github.com/juyongjiang/ReflexiCoder.
Authors: Mingluo Su, Huan Wang
Abstract: Pruning is widely recognized as an effective method for reducing the parameters of large language models (LLMs), potentially leading to more efficient deployment and inference. One classic and prominent path of LLM one-shot pruning is to leverage second-order gradients (i.e., Hessian), represented by the pioneering work SparseGPT. However, the predefined left-to-right pruning order in SparseGPT leads to suboptimal performance when the weights exhibit columnar patterns. This paper studies the effect of pruning order under the SparseGPT framework. The analyses lead us to propose ROSE, a reordered SparseGPT method that prioritizes weights with larger potential pruning errors to be pruned earlier. ROSE first performs pre-pruning to identify candidate weights for removal, and estimates both column and block pruning loss. Subsequently, two-level reordering is performed: columns within each block are reordered in descending order of column loss, while blocks are reordered based on block loss. We introduce the relative range of block loss as a metric to identify columnar layers, enabling adaptive reordering across the entire model. Substantial empirical results on prevalent LLMs (LLaMA2-7B/13B/70B, LLaMA3-8B, Mistral-7B) demonstrate that ROSE surpasses the original SparseGPT and other counterpart pruning methods. Our code is available at https://github.com/mingluo-su/ROSE.
Authors: Xiang Zhang, Sohyun Yoo, Hongrui Wu, Chuan Li, Jianwen Xie, Zhuowen Tu
Abstract: We introduce PixARMesh, a method to autoregressively reconstruct complete 3D indoor scene meshes directly from a single RGB image. Unlike prior methods that rely on implicit signed distance fields and post-hoc layout optimization, PixARMesh jointly predicts object layout and geometry within a unified model, producing coherent and artist-ready meshes in a single forward pass. Building on recent advances in mesh generative models, we augment a point-cloud encoder with pixel-aligned image features and global scene context via cross-attention, enabling accurate spatial reasoning from a single image. Scenes are generated autoregressively from a unified token stream containing context, pose, and mesh, yielding compact meshes with high-fidelity geometry. Experiments on synthetic and real-world datasets show that PixARMesh achieves state-of-the-art reconstruction quality while producing lightweight, high-quality meshes ready for downstream applications.
Authors: Schrasing Tong, Antoine Salaun, Vincent Yuan, Annabel Adeyeri, Lalana Kagal
Abstract: Ensuring fairness in image classification prevents models from perpetuating and amplifying bias. Concept bottleneck models (CBMs) map images to high-level, human-interpretable concepts before making predictions via a sparse, one-layer classifier. This structure enhances interpretability and, in theory, supports fairness by masking sensitive attribute proxies such as facial features. However, CBM concepts have been known to leak information unrelated to concept semantics and early results reveal only marginal reductions in gender bias on datasets like ImSitu. We propose three bias mitigation techniques to improve fairness in CBMs: 1. Decreasing information leakage using a top-k concept filter, 2. Removing biased concepts, and 3. Adversarial debiasing. Our results outperform prior work in terms of fairness-performance tradeoffs, indicating that our debiased CBM provides a significant step towards fair and interpretable image classification.
Authors: Nikita Soni, Dhruv Vijay Kunjadiya, Pratham Piyush Shah, Dikshya Mohanty, H. Andrew Schwartz, Niranjan Balasubramanian
Abstract: Language model training and inference ignore a fundamental linguistic fact -- there is a dependence between multiple sequences of text written by the same person. Prior work has shown that addressing this form of \textit{ecological fallacy} can greatly improve the performance of multiple smaller (~124M) GPT-based models. In this work, we ask if addressing the ecological fallacy by modeling the author's language context with a specific LM task (called HuLM) can provide similar benefits for a larger-scale model, an 8B Llama model. To this end, we explore variants that process an author's language in the context of their other temporally ordered texts. We study the effect of pre-training with this author context using the HuLM objective, as well as using it during fine-tuning with author context (\textit{HuFT:Human-aware Fine-Tuning}). Empirical comparisons show that addressing the ecological fallacy during fine-tuning alone using QLoRA improves the performance of the larger 8B model over standard fine-tuning. Additionally, QLoRA-based continued HuLM pre-training results in a human-aware model generalizable for improved performance over eight downstream tasks with linear task classifier training alone. These results indicate the utility and importance of modeling language in the context of its original generators, the authors.
Authors: Neelesh Gupta, Peter Wang, Rajgopal Kannan, Viktor K. Prasanna
Abstract: Gated DeltaNet (GDN) is a linear attention mechanism that replaces the growing KV cache with a fixed-size recurrent state. Hybrid LLMs like Qwen3-Next use 75% GDN layers and achieve competitive accuracy to attention-only models. However, at batch-1, GDN decode is memory-bound on GPUs since the full recurrent state must be round-tripped through HBM every token. We show that this bottleneck is architectural, not algorithmic, as all subquadratic sequence models exhibit arithmetic intensities below 1 FLOP/B at decode time, making them more memory-bound than standard Transformers. We present an FPGA accelerator that eliminates this bottleneck by holding the full 2 MB recurrent state persistently in on-chip BRAM, converting the workload from memory-bound to compute-bound. Our design fuses the GDN recurrence into a five-phase pipelined datapath that performs only one read and one write pass over each state matrix per token, exploits Grouped Value Attention for paired-head parallelism, and overlaps preparation, computation, and output storage via dataflow pipelining. We explore four design points on an AMD Alveo U55C using Vitis HLS, varying head-level parallelism from 2 to 16 value-heads per iteration. Our fastest configuration achieves 63 $\mu$s per token, 4.5$\times$ faster than the GPU reference on NVIDIA H100 PCIe. Post-implementation power analysis reports 9.96 W on-chip, yielding up to 60$\times$ greater energy efficiency per token decoded.
Authors: Chanhui Zhu
Abstract: Large Language Models (LLMs) have demonstrated impressive capabilities in role-playing (RP); however, small Language Models (SLMs) with highly stylized personas remains a challenge due to data scarcity and the complexity of style disentanglement. Standard Supervised Fine-Tuning (SFT) often captures surface-level semantics while failing to reproduce the intricate syntactic and pragmatic nuances of a character, leading to "Out-Of-Character" (OOC) generation. To address this, we propose a Structured Style-Rewrite Framework that explicitly disentangles style into three interpretable dimensions: lexical signatures (via PMI), syntactic patterns (grounded in PCFG rules), and pragmatic style. Furthermore, we introduce an implicit style conditioning strategy via Chain-of-Thought (CoT) distillation. By leveraging explicit reasoning traces during training as a strong inductive bias, our approach aligns the model's latent representations with structured style features, enabling high-fidelity stylized generation without requiring explicit reasoning tokens during inference. Extensive experiments on a specific high-stylization domain (anime characters) demonstrate that our method enables a Qwen-1.7B model to outperform significantly larger baselines (e.g., 4B Vanilla SFT) in style consistency and semantic fidelity. Our approach offers a data-efficient paradigm for democratizing inference and deployment on consumer hardware.
Authors: Nikita Soni, August H{\aa}kan Nilsson, Syeda Mahwish, Vasudha Varadarajan, H. Andrew Schwartz, Ryan L. Boyd
Abstract: Mental health is not a fixed trait but a dynamic process shaped by the interplay between individual dispositions and situational contexts. Building on interactionist and constructionist psychological theories, we develop interpretable models to predict well-being and identify adaptive and maladaptive self-states in longitudinal social media data. Our approach integrates person-level psychological traits (e.g., resilience, cognitive distortions, implicit motives) with language-inferred situational features derived from the Situational 8 DIAMONDS framework. We compare these theory-grounded features to embeddings from a psychometrically-informed language model that captures temporal and individual-specific patterns. Results show that our principled, theory-driven features provide competitive performance while offering greater interpretability. Qualitative analyses further highlight the psychological coherence of features most predictive of well-being. These findings underscore the value of integrating computational modeling with psychological theory to assess dynamic mental states in contextually sensitive and human-understandable ways.
Authors: Zhouchonghao Wu, Raymond Song, Vedant Mundheda, Luis E. Navarro-Serment, Christof Schoenborn, Jeff Schneider
Abstract: Off-road autonomous driving poses significant challenges such as navigating unmapped, variable terrain with uncertain and diverse dynamics. Addressing these challenges requires effective long-horizon planning and adaptable control. Reinforcement Learning (RL) offers a promising solution by learning control policies directly from interaction. However, because off-road driving is a long-horizon task with low-signal rewards, standard RL methods are challenging to apply in this setting. We introduce TADPO, a novel policy gradient formulation that extends Proximal Policy Optimization (PPO), leveraging off-policy trajectories for teacher guidance and on-policy trajectories for student exploration. Building on this, we develop a vision-based, end-to-end RL system for high-speed off-road driving, capable of navigating extreme slopes and obstacle-rich terrain. We demonstrate our performance in simulation and, importantly, zero-shot sim-to-real transfer on a full-scale off-road vehicle. To our knowledge, this work represents the first deployment of RL-based policies on a full-scale off-road platform.
Authors: Soumya Mazumdar, Vineet Kumar Rakesh
Abstract: Diffusion models have recently advanced photorealistic human synthesis, although practical talking-head generation (THG) remains constrained by high inference latency, temporal instability such as flicker and identity drift, and imperfect audio-visual alignment under challenging speech conditions. This paper introduces TempoSyncDiff, a reference-conditioned latent diffusion framework that explores few-step inference for efficient audio-driven talking-head generation. The approach adopts a teacher-student distillation formulation in which a diffusion teacher trained with a standard noise prediction objective guides a lightweight student denoiser capable of operating with significantly fewer inference steps to improve generation stability. The framework incorporates identity anchoring and temporal regularization designed to mitigate identity drift and frame-to-frame flicker during synthesis, while viseme-based audio conditioning provides coarse lip motion control. Experiments on the LRS3 dataset report denoising-stage component-level metrics relative to VAE reconstructions and preliminary latency characterization, including CPU-only and edge computing measurements and feasibility estimates for edge deployment. The results suggest that distilled diffusion models can retain much of the reconstruction behaviour of a stronger teacher while enabling substantially lower latency inference. The study is positioned as an initial step toward practical diffusion-based talking-head generation under constrained computational settings. GitHub: https://mazumdarsoumya.github.io/TempoSyncDiff
Authors: Vittorio Rossi, Giacomo Cir\`o, Davide Beltrame, Luca Gandolfi, Paul R\"ottger, Dirk Hovy
Abstract: Unlike autoregressive language models, which terminate variable-length generation upon predicting an End-of-Sequence (EoS) token, Diffusion Language Models (DLMs) operate over a fixed maximum-length context window for a predetermined number of denoising steps. However, this process is independent of the required response length, resulting in computational waste for the majority of short responses common in reasoning and chat tasks. To address this problem, we conjecture that the latent prompt representation contains sufficient information to estimate the required output length. We provide empirical evidence for this phenomenon and propose a zero-shot mechanism to dynamically crop the context window before generation begins, leading to fewer diffusion steps and substantial computational savings. We evaluate our approach on four benchmarks with diverse tasks -- GSM8K (reasoning), HumanEval (code generation), IfEval (instruction following), and LongFormQA (question answering) -- revealing massive efficiency gains at minimal performance impact. We report significant reductions in FLOPs across all tasks, with no statistically significant performance degradation, and significant performance improvements in 2 out of 4 tasks.
Authors: Yifan Peng, Jiafei Fan, Xingda Wei, Sijie Shen, Rong Chen, Jianning Wang, Xiaojian Luo, Wenyuan Yu, Jingren Zhou, Haibo Chen
Abstract: Learned top-K search is a promising approach for serving vector queries with both high accuracy and performance. However, current models trained for a specific K value fail to generalize to real-world multi-K queries: they suffer from accuracy degradation (for larger Ks) and performance loss (for smaller Ks). Training the model to generalize on different Ks requires orders of magnitude more preprocessing time and is not suitable for serving vector queries in the wild. We present OMEGA, a K-generalizable learned top-K search method that simultaneously achieves high accuracy, high performance, and low preprocessing cost for multi-K vector queries. The key idea is that a base model properly trained on K=1 with our trajectory-based features can be used to accurately predict larger Ks with a dynamic refinement procedure and smaller Ks with minimal performance loss. To make our refinements efficient, we further leverage the statistical properties of top-K searches to reduce excessive model invocations. Extensive evaluations on multiple public and production datasets show that, under the same preprocessing budgets, OMEGA achieves 6-33% lower average latency compared to state-of-the-art learned search methods, while all systems achieve the same recall target. With only 16-30% of the preprocessing time, OMEGA attains 1.01-1.28x of the optimal average latency of these baselines.
Authors: Claire Roman, Philippe Meyer
Abstract: Learning similarity metrics for glyphs and writing systems faces a fundamental challenge: while individual graphemes within invented alphabets can be reliably labeled, the historical relationships between different scripts remain uncertain and contested. We propose a two-stage framework that addresses this epistemological constraint. First, we train an encoder with contrastive loss on labeled invented alphabets, establishing a teacher model with robust discriminative features. Second, we extend to historically attested scripts through teacher-student distillation, where the student learns unsupervised representations guided by the teacher's knowledge but free to discover latent cross-script similarities. The asymmetric setup enables the student to learn deformation-invariant embeddings while inheriting discriminative structure from clean examples. Our approach bridges supervised contrastive learning and unsupervised discovery, enabling both hard boundaries between distinct systems and soft similarities reflecting potential historical influences. Experiments on diverse writing systems demonstrate effective few-shot glyph recognition and meaningful script clustering without requiring ground-truth evolutionary relationships.
Authors: Maximilian Engel, Anna Shalova
Abstract: We introduce the Random Quadratic Form (RQF): a stochastic differential equation which formally corresponds to the gradient flow of a random quadratic functional on a sphere. While the one-point dynamics of the system is a Brownian motion and thus has no preferred direction, the two-point motion exhibits nontrivial synchronizing behaviour. In this work we study synchronization of the RQF, namely we give both distributional and path-wise characterizations of the solutions by studying invariant measures and random attractors of the system. The RQF model is motivated by the study of the role of linear layers in transformers and illustrates the synchronization by common noise phenomena arising in the simplified models of transformers. In particular, we provide an alternative (independent of self-attention) explanation of the clustering behaviour in deep transformers and show that tokens cluster even in the absence of the self-attention mechanism.
Authors: Ying Hu, Hu Yang
Abstract: With the rise of high-dimensional correlated data, multicollinearity poses a significant challenge to model stability, often leading to unstable estimation and reduced predictive accuracy. This work proposes the Single-Parametric Principal Component Selection Operator (SPPCSO), an innovative penalized estimation method that integrates single-parametric principal component regression and $L_{1}$ regularization to adaptively adjust the shrinkage factor by incorporating principal component information. This approach achieves a balance between variable selection and coefficient estimation, ensuring model stability and robust estimation even in high-dimensional, high-noise environments. The primary contribution lies in addressing the instability of traditional variable selection methods when applied to high-noise, high-dimensional correlated data. Theoretically, our method exhibits selection consistency and achieves a smaller estimation error bound compared to traditional penalized estimation approaches. Extensive numerical experiments demonstrate that SPPCSO not only delivers stable and reliable estimation in high-noise settings but also accurately distinguishes signal variables from noise variables in group-effect structured data with highly correlated noise variables, effectively eliminating redundant variables and achieving more stable variable selection. Furthermore, SPPCSO successfully identifies disease-associated genes in gene expression data analysis, showcasing strong practical value. The results indicate that SPPCSO serves as an ideal tool for high-dimensional variable selection, offering an efficient and interpretable solution for modeling correlated data.
Authors: Haiyan Du, Hu Yang
Abstract: In this paper, we propose a novel bounded asymmetric elastic net ($L_{baen}$) loss function and combine it with the support vector machine (SVM), resulting in the BAEN-SVM. The $L_{baen}$ is bounded and asymmetric and can degrade to the asymmetric elastic net hinge loss, pinball loss, and asymmetric least squares loss. BAEN-SVM not only effectively handles noise-contaminated data but also addresses the geometric irrationalities in the traditional SVM. By proving the violation tolerance upper bound (VTUB) of BAEN-SVM, we show that the model is geometrically well-defined. Furthermore, we derive that the influence function of BAEN-SVM is bounded, providing a theoretical guarantee of its robustness to noise. The Fisher consistency of the model further ensures its generalization capability. Since the \( L_{\text{baen}} \) loss is non-convex, we designed a clipping dual coordinate descent-based half-quadratic algorithm to solve the non-convex optimization problem efficiently. Experimental results on artificial and benchmark datasets indicate that the proposed method outperforms classical and advanced SVMs, particularly in noisy environments.
Authors: Alexis Kafantaris
Abstract: This essay is about a neural implementation of the fuzzy cognitive map, the FHM, and corresponding evaluations. Firstly, a neural net has been designed to behave the same way that an FCM does; as inputs it accepts many fuzzy cognitive maps and propagates them in order to learn causality patterns. Moreover, the network uses langevin differential Dynamics, which avoid overfit, to inverse solve the output node values according to some policy. Nevertheless, having obtained an inverse solution provides the user a modification criterion. Having the modification criterion suggests that information is now according to discretion as a different service or product is a better fit. Lastly, evaluation has been done on several data sets in order to examine the networks performance.
Authors: Akshay Govind Srinivasan, Balaji Srinivasan
Abstract: Modeling stiff partial differential equations (PDEs) with sharp gradients remains a significant challenge for scientific machine learning. While Physics-Informed Neural Networks (PINNs) struggle with spectral bias and slow training times, Physics-Informed Extreme Learning Machines (PIELMs) offer a rapid, closed-form linear solution but are fundamentally limited by physics-agnostic, random initialization. We introduce the Gaussian Mixture Model Adaptive PIELM (GMM-PIELM), a probabilistic framework that learns a probability density function representing the ``location of physics'' for adaptively sampling kernels of PIELMs. By employing a weighted Expectation-Maximization (EM) algorithm, GMM-PIELM autonomously concentrates radial basis function centers in regions of high numerical error, such as shock fronts and boundary layers. This approach dynamically improves the conditioning of the hidden layer without the expensive gradient-based optimization(of PINNs) or Bayesian search. We evaluate our methodology on 1D singularly perturbed convection-diffusion equations with diffusion coefficients $\nu=10^{-4}$. Our method achieves $L_2$ errors up to $7$ orders of magnitude lower than baseline RBF-PIELMs, successfully resolving exponentially thin boundary layers while retaining the orders-of-magnitude speed advantage of the ELM architecture.
Authors: Susanne Schaub, Florentin Bieder, Matheus L. Oliveira, Yulan Wang, Dorothea Dagassan-Berndt, Michael M. Bornstein, Philippe C. Cattin
Abstract: Cone-beam computed tomography (CBCT) is a widely used 3D imaging technique in dentistry, offering high-resolution images while minimising radiation exposure for patients. However, CBCT is highly susceptible to artefacts arising from high-density objects such as dental implants, which can compromise image quality and diagnostic accuracy. To reduce artefacts, implant inpainting in the sequence of projections plays a crucial role in many artefact reduction approaches. Recently, diffusion models have achieved state-of-the-art results in image generation and have widely been applied to image inpainting tasks. However, to our knowledge, existing diffusion-based methods for implant inpainting operate on independent 2D projections. This approach neglects the correlations among individual projections, resulting in inconsistencies in the reconstructed images. To address this, we propose a 3D dental implant inpainting approach based on perpendicular score-based diffusion models, each trained in two different planes and operating in the projection domain. The 3D distribution of the projection series is modelled by combining the two 2D score-based diffusion models in the sampling scheme. Our results demonstrate the method's effectiveness in producing high-quality, artefact-reduced 3D CBCT images, making it a promising solution for improving clinical imaging.
Authors: Subramanyam Sahoo, Aman Chadha, Vinija Jain, Divya Chaudhary
Abstract: Recursive self-improvement is moving from theory to practice: modern systems can critique, revise, and evaluate their own outputs, yet iterative self-modification risks subtle alignment drift. We introduce SAHOO, a practical framework to monitor and control drift through three safeguards: (i) the Goal Drift Index (GDI), a learned multi-signal detector combining semantic, lexical, structural, and distributional measures; (ii) constraint preservation checks that enforce safety-critical invariants such as syntactic correctness and non-hallucination; and (iii) regression-risk quantification to flag improvement cycles that undo prior gains. Across 189 tasks in code generation, mathematical reasoning, and truthfulness, SAHOO produces substantial quality gains, including 18.3 percent improvement in code tasks and 16.8 percent in reasoning, while preserving constraints in two domains and maintaining low violations in truthfulness. Thresholds are calibrated on a small validation set of 18 tasks across three cycles. We further map the capability-alignment frontier, showing efficient early improvement cycles but rising alignment costs later and exposing domain-specific tensions such as fluency versus factuality. SAHOO therefore makes alignment preservation during recursive self-improvement measurable, deployable, and systematically validated at scale.
Authors: Simon Arberet, Riqiang Gao, Martin Kraus, Florin C. Ghesu, Wilko Verbakel, Mamadou Diallo, Anthony Magliari, Venkatesan Karuppusamy, Sushil Beriwal, REQUITE Consortium, Ali Kamen, Dorin Comaniciu
Abstract: Artificial intelligence-based radiation therapy (RT) planning has the potential to reduce planning time and inter-planner variability, improving efficiency and consistency in clinical workflows. Most existing automated approaches rely on multiple dose evaluations and corrections, resulting in plan generation times of several minutes. We introduce AIRT (Artificial Intelligence-based Radiotherapy), an end-to-end deep-learning framework that directly infers deliverable treatment plans from CT images and structure contours. AIRT generates single-arc VMAT prostate plans, from imaging and anatomical inputs to leaf sequencing, in under one second on a single Nvidia A100 GPU. The framework includes a differentiable dose feedback, an adversarial fluence map shaping, and a plan generation augmentation to improve plan quality and robustness. The model was trained on more than 10,000 intact prostate cases. Non-inferiority to RapidPlan Eclipse was demonstrated across target coverage and OAR sparing metrics. Target homogeneity (HI = 0.10 $\pm$ 0.01) and OAR sparing were similar to reference plans when evaluated using AcurosXB. These results represent a significant step toward ultra-fast standardized RT planning and a streamlined clinical workflow.
Authors: Hanfei Yu, Bei Ouyang, Shwai He, Ang Li, Hao Wang
Abstract: Large Language Models (LLMs) have become a cornerstone of AI, driving progress across diverse domains such as content creation, search and recommendation systems, and AI-assisted workflows. To alleviate extreme training costs and advancing model scales, Mixture-of-Experts (MoE) has become a popular backbone for modern LLMs, which are commonly served in distributed deployment using expert parallelism (EP). However, MoE's sparse activation mechanism leads to severe expert load imbalance, where a few experts become overloaded while others remain idle, resulting in expert stragglers that inflate inference latency and serving cost. Existing expert load balancing solutions assume static resource configurations on serverful infrastructures, limiting expert scalability and elasticity, and resulting in either costly real-time expert swapping or degraded generation quality. We present MoEless, the first serverless MoE serving framework that mitigates expert load imbalance and accelerates inference via serverless experts. MoEless employs lightweight, layer-aware predictors to accurately estimate incoming expert load distributions and proactively identify stragglers. We design optimized expert scaling and placement strategies to maximize function locality, improve GPU utilization, and balance loads across experts and GPUs. MoEless is prototyped on top of Megatron-LM and deployed on an eight-GPU testbed. Experiments with open-source MoE models and real-world workloads show that MoEless reduces inference latency by 43% and inference cost by 84% compared to state-of-the-art solutions.
Authors: Akash Haridas, Utkarsh Saxena, Parsa Ashrafi Fashi, Mehdi Rezagholizadeh, Vikram Appia, Emad Barsoum
Abstract: Diffusion Transformers process images as fixed-length sequences of tokens produced by a static $\textit{patchify}$ operation. While effective, this design spends uniform compute on low- and high-information regions alike, ignoring that images contain regions of varying detail and that the denoising process progresses from coarse structure at early timesteps to fine detail at late timesteps. We introduce the Dynamic Chunking Diffusion Transformer (DC-DiT), which augments the DiT backbone with a learned encoder-router-decoder scaffold that adaptively compresses the 2D input into a shorter token sequence in a data-dependent manner using a chunking mechanism learned end-to-end with diffusion training. The mechanism learns to compress uniform background regions into fewer tokens and detail-rich regions into more tokens, with meaningful visual segmentations emerging without explicit supervision. Furthermore, it also learns to adapt its compression across diffusion timesteps, using fewer tokens at noisy stages and more tokens as fine details emerge. On class-conditional ImageNet $256{\times}256$, DC-DiT consistently improves FID and Inception Score over both parameter-matched and FLOP-matched DiT baselines across $4{\times}$ and $16{\times}$ compression, showing this is a promising technique with potential further applications to pixel-space, video and 3D generation. Beyond accuracy, DC-DiT is practical: it can be upcycled from pretrained DiT checkpoints with minimal post-training compute (up to $8{\times}$ fewer training steps) and composes with other dynamic computation methods to further reduce generation FLOPs.
Authors: Abhisek Ganguly, Santosh Ansumali, Sauro Succi
Abstract: Accurate estimation of spatial derivatives from discrete and noisy data is central to scientific machine learning and numerical solutions of PDEs. We extend kinetic-based regularization (KBR), a localized multidimensional kernel regression method with a single trainable parameter, to learn spatial derivatives with provable second-order accuracy in 1D. Two derivative-learning schemes are proposed: an explicit scheme based on the closed-form prediction expressions, and an implicit scheme that solves a perturbed linear system at the points of interest. The fully localized formulation enables efficient, noise-adaptive derivative estimation without requiring global system solving or heuristic smoothing. Both approaches exhibit quadratic convergence, matching second-order finite difference for clean data, along with a possible high-dimensional formulation. Preliminary results show that coupling KBR with conservative solvers enables stable shock capture in 1D hyperbolic PDEs, acting as a step towards solving PDEs on irregular point clouds in higher dimensions while preserving conservation laws.
Authors: Joel Strickland, Arjun Vijeta, Chris Moores, Oliwia Bodek, Bogdan Nenchev, Thomas Whitehead, Charles Phillips, Karl Tassenberg, Gareth Conduit, Ben Pellegrini
Abstract: Large language models (LLMs) can now translate a researcher's plain-language goal into executable computation, yet scientific workflows demand determinism, provenance, and governance that are difficult to guarantee when an LLM decides what runs. Semi-structured interviews with 18 experts across 10 industrial R&D stakeholders surface 2 competing requirements--deterministic, constrained execution and conversational flexibility without workflow rigidity--together with boundary properties (human-in-the-loop control and transparency) that any resolution must satisfy. We propose schema-gated orchestration as the resolving principle: the schema becomes a mandatory execution boundary at the composed-workflow level, so that nothing runs unless the complete action--including cross-step dependencies--validates against a machine-checkable specification. We operationalize the 2 requirements as execution determinism (ED) and conversational flexibility (CF), and use these axes to review 20 systems spanning 5 architectural groups along a validation-scope spectrum. Scores are assigned via a multi-model protocol--15 independent sessions across 3 LLM families--yielding substantial-to-near-perfect inter-model agreement (Krippendorff a=0.80 for ED and a=0.98 for CF), demonstrating that multi-model LLM scoring can serve as a reusable alternative to human expert panels for architectural assessment. The resulting landscape reveals an empirical Pareto front--no reviewed system achieves both high flexibility and high determinism--but a convergence zone emerges between the generative and workflow-centric extremes. We argue that a schema-gated architecture, separating conversational from execution authority, is positioned to decouple this trade-off, and distill 3 operational principles--clarification-before-execution, constrained plan-act orchestration, and tool-to-workflow-level gating--to guide adoption.
Authors: Pengcheng Jiang, Judith Yue Li, Moonkyung Ryu, R. Lily Hu, Kun Su, Zhong Yi Wan, Liam Hebert, Hao Peng, Jiawei Han, Dima Kuzmin, Craig Boutilier
Abstract: Many modern retrieval problems are set-valued: given a broad intent, the system must return a collection of results that optimizes higher-order properties (e.g., diversity, coverage, complementarity, coherence) while remaining grounded with respect to a fixed database. Set-valued objectives are typically non-decomposable and are not captured by existing supervised (query, content) datasets which only prioritize top-1 retrieval. Consequently, fan-out retrieval is often employed to generate diverse subqueries to retrieve item sets. While reinforcement learning (RL) can optimize set-level objectives via interaction, deploying an RL-tuned LLM for fan-out retrieval is prohibitively expensive at inference time. Conversely, diffusion-based generative retrieval enables efficient single-pass fan-out in embedding space, but requires objective-aligned training targets. To address these issues, we propose R4T (Retrieve-for-Train), which uses RL once as an objective transducer in a three-step process: (i) train a fan-out LLM with composite set-level rewards, (ii) synthesize objective-consistent training pairs, and (iii) train a lightweight diffusion retriever to model the conditional distribution of set-valued outputs. Across large-scale fashion and music benchmarks consisting of curated item sets, we show that R4T improves retrieval quality relative to strong baselines while reducing query-time fan-out latency by an order of magnitude.
Authors: Xiaojie Li, Yu Han, Zhizheng Lu, Shi Jin, Chao-Kai Wen
Abstract: The upper 6 GHz (U6G) band with XL-MIMO is a key enabler for sixth-generation wireless systems, yet intelligent radiomap prediction for such systems remains challenging. Existing datasets support only small-scale arrays (up to 8x8) with predominantly isotropic antennas, far from the 1024-element directional arrays envisioned for 6G. Moreover, current methods encode array configurations as scalar parameters, forcing neural networks to extrapolate array-specific radiation patterns, which fails when predicting radiomaps for configurations absent from training data. To jointly address data scarcity and generalization limitations, this paper advances XL-MIMO radiomap prediction from three aspects. To overcome data limitations, we construct the first XL-MIMO radiomap dataset containing 78400 radiomaps across 800 urban scenes, five frequency bands (1.8-6.7 GHz), and nine array configurations up to 32x32 uniform planar arrays with directional elements. To enable systematic evaluation, we establish a comprehensive benchmark framework covering practical scenarios from coverage estimation without field measurements to generalization across unseen configurations and environments. To enable generalization to arbitrary beam configurations without retraining, we propose the beam map, a physics-informed spatial feature that analytically computes array-specific coverage patterns. By decoupling deterministic array radiation from data learned multipath propagation, beam maps shift generalization from neural network extrapolation to physics-based computation. Integrating beam maps into existing architectures reduces mean absolute error by up to 60.0% when generalizing to unseen configurations and up to 50.5% when transferring to unseen environments. The complete dataset and code are publicly available at https://lxj321.github.io/MulticonfigRadiomapDataset/.
Authors: Xiaoran Liu, Istvan David
Abstract: The surge in reinforcement learning (RL) applications gave rise to diverse supporting technology, such as RL frameworks. However, the architectural patterns of these frameworks are inconsistent across implementations and there exists no reference architecture (RA) to form a common basis of comparison, evaluation, and integration. To address this gap, we propose an RA of RL frameworks. Through a grounded theory approach, we analyze 18 state-of-the-practice RL frameworks and, by that, we identify recurring architectural components and their relationships, and codify them in an RA. To demonstrate our RA, we reconstruct characteristic RL patterns. Finally, we identify architectural trends, e.g., commonly used components, and outline paths to improving RL frameworks.
Authors: Parhom Esmaeili, Chayanin Tangwiriyasakul, Eli Gibson, Sebastien Ourselin, M. Jorge Cardoso
Abstract: Interactive segmentation enables clinicians to guide annotation, but existing zero-shot models like nnInteractive fail to consistently reach expert-level performance across diverse medical imaging tasks. Because annotation campaigns produce a growing stream of task-specific labelled data, online adaptation of the segmentation model is a natural complement to zero-shot inference. We propose CLoPA, a continual adaptation strategy that tunes a small fraction of nnInteractive's parameters on the annotation cache, triggered by lightweight episode scheduling. CLoPA requires no new parameters or changes to the inference pipeline, and operates entirely within the existing annotation workflow. Across eight Medical Segmentation Decathlon tasks spanning diverse anatomical targets and imaging characteristics, CLoPA rapidly elevates performance to expert-level, even for tasks where nnInteractive previously failed, with the majority of gains realised after a single training episode. We show that the benefits of tuning different parameter groups depends on task characteristics and data regimes. Also, that for targets with complex geometries (e.g., hepatic vessels), instance normalisation and low-level feature tuning saturates, suggesting a need for deeper feature-representation alignment in the most challenging scenarios.
Authors: Johannes Gr\"undler, Moritz Maibaum, Philipp Petersen
Abstract: Neural network methods for PDEs require reliable error control in function space norms. However, trained neural networks can typically only be probed at a finite number of point values. Without strong assumptions, point evaluations alone do not provide enough information to derive tight deterministic and guaranteed bounds on function space norms. In this work, we move beyond a purely black-box setting and exploit the neural network structure directly. We present a framework for the certified and accurate computation of integral quantities of neural networks, including Lebesgue and Sobolev norms, by combining interval arithmetic enclosures on axis-aligned boxes with adaptive marking/refinement and quadrature-based aggregation. On each box, we compute guaranteed lower and upper bounds for function values and derivatives, and propagate these local certificates to global lower and upper bounds for the target integrals. Our analysis provides a general convergence theorem for such certified adaptive quadrature procedures and instantiates it for function values, Jacobians, and Hessians, yielding certified computation of $L^p$, $W^{1,p}$, and $W^{2,p}$ norms. We further show how these ingredients lead to practical certified bounds for PINN interior residuals. Numerical experiments illustrate the accuracy and practical behavior of the proposed methods.
Authors: Ammar Fayad
Abstract: Diffusion-based generative modeling suggests reversing a noising semigroup by adding a score drift. For continuous-variable Gaussian Markov dynamics, complete positivity couples drift and diffusion at the generator level. For a quantum-limited attenuator with thermal parameter $\nu$ and squeezing $r$, the fixed-diffusion Wigner-score (Bayes) reverse drift violates CP iff $\cosh(2r)>\nu$. Any Gaussian CP repair must inject extra diffusion, implying $-2\ln F\ge c_{\text{geom}}(\nu_{\min})I_{\mathrm{dec}}^{\mathrm{wc}}$.
Authors: Louis Mozart Kamdem Teyou, Caglar Demir, Axel-Cyrille Ngonga Ngomo
Abstract: Concept learning is a form of supervised machine learning that operates on knowledge bases in description logics. State-of-the-art concept learners often rely on an iterative search through a countably infinite concept space. In each iteration, they retrieve instances of candidate solutions to select the best concept for the next iteration. While simple learning problems might require a few dozen instance retrieval calls to find a fitting solution, complex learning problems might necessitate thousands of calls. We alleviate the resulting runtime challenge by presenting a semantics-aware caching approach. Our cache is essentially a subsumption-aware map that links concepts to a set of instances via crisp set operations. Our experiments on 5 datasets with 4 symbolic reasoners, a neuro-symbolic reasoner, and 5 popular pagination policies demonstrate that our cache can reduce the runtime of concept retrieval and concept learning by an order of magnitude while being effective for both symbolic and neuro-symbolic reasoners.
Authors: Yuanji Zhang, Yuhao Huang, Haoran Dou, Xiliang Zhu, Chen Ling, Zhong Yang, Lianying Liang, Jiuping Li, Siying Liang, Rui Li, Yan Cao, Yuhan Zhang, Jiewei Lai, Yongsong Zhou, Hongyu Zheng, Xinru Gao, Cheng Yu, Liling Shi, Mengqin Yuan, Honglong Li, Xiaoqiong Huang, Chaoyu Chen, Jialin Zhang, Wenxiong Pan, Alejandro F. Frangi, Guangzhi He, Xin Yang, Yi Xiong, Linliang Yin, Xuedong Deng, Dong Ni
Abstract: Orofacial clefts are among the most common congenital craniofacial abnormalities, yet accurate prenatal detection remains challenging due to the scarcity of experienced specialists and the relative rarity of the condition. Early and reliable diagnosis is essential to enable timely clinical intervention and reduce associated morbidity. Here we show that an artificial intelligence system, trained on over 45,139 ultrasound images from 9,215 fetuses across 22 hospitals, can diagnose fetal orofacial clefts with sensitivity and specificity exceeding 93% and 95% respectively, matching the performance of senior radiologists and substantially outperforming junior radiologists. When used as a medical copilot, the system raises junior radiologists' sensitivity by more than 6%. Beyond direct diagnostic assistance, the system also accelerates the development of clinical expertise. A pilot study involving 24 radiologists and trainees demonstrated that the model can improve the expertise development for rare conditions. This dual-purpose approach offers a scalable solution for improving both diagnostic accuracy and specialist training in settings where experienced radiologists are scarce.
Authors: Henry Tischler, Wenting Li, Qi Tang, Danny Perez, Thomas Vogel
Abstract: Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.
Authors: Zihan Ye, Phil Chau, Raban Emunds, Jannis Bl\"uml, Cedric Derstroff, Quentin Delfosse, Oleg Arenz, Kristian Kersting
Abstract: Deep reinforcement learning agents are often misaligned, as they over-exploit early reward signals. Recently, several symbolic approaches have addressed these challenges by encoding sparse objectives along with aligned plans. However, purely symbolic architectures are complex to scale and difficult to apply to continuous settings. Hence, we propose a hybrid approach, inspired by humans' ability to acquire new skills. We use a two-stage framework that injects symbolic structure into neural-based reinforcement learning agents without sacrificing the expressivity of deep policies. Our method, called Hybrid Hierarchical RL (H^2RL), introduces a logical option-based pretraining strategy to steer the learning policy away from short-term reward loops and toward goal-directed behavior while allowing the final policy to be refined via standard environment interaction. Empirically, we show that this approach consistently improves long-horizon decision-making and yields agents that outperform strong neural, symbolic, and neuro-symbolic baselines.
Authors: Vishal Thengane, Zhaochong An, Tianjin Huang, Son Lam Phung, Abdesselam Bouzerdoum, Lu Yin, Na Zhao, Xiatian Zhu
Abstract: Incremental Few-Shot (IFS) segmentation aims to learn new categories over time from only a few annotations. Although widely studied in 2D, it remains underexplored for 3D point clouds. Existing methods suffer from catastrophic forgetting or fail to learn discriminative prototypes under sparse supervision, and often overlook a key cue: novel categories frequently appear as unlabelled background in base-training scenes. We introduce SCOPE (Scene-COntextualised Prototype Enrichment), a plug-and-play background-guided prototype enrichment framework that integrates with any prototype-based 3D segmentation method. After base training, a class-agnostic segmentation model extracts high-confidence pseudo-instances from background regions to build a prototype pool. When novel classes arrive with few labelled samples, relevant background prototypes are retrieved and fused with few-shot prototypes to form enriched representations without retraining the backbone or adding parameters. Experiments on ScanNet and S3DIS show that SCOPE achieves SOTA performance, improving novel-class IoU by up to 6.98% and 3.61%, and mean IoU by 2.25% and 1.70%, respectively, while maintaining low forgetting. Code is available https://github.com/Surrey-UP-Lab/SCOPE.
Authors: Thomas Monninger, Shaoyuan Xie, Qi Alfred Chen, Sihao Ding
Abstract: The integration of Large Language Models (LLMs) into autonomous driving has attracted growing interest for their strong reasoning and semantic understanding abilities, which are essential for handling complex decision-making and long-tail scenarios. However, existing methods typically feed LLMs with tokens from multi-view and multi-frame images independently, leading to redundant computation and limited spatial consistency. This separation in visual processing hinders accurate 3D spatial reasoning and fails to maintain geometric coherence across views. On the other hand, Bird's-Eye View (BEV) representations learned from geometrically annotated tasks (e.g., object detection) provide spatial structure but lack the semantic richness of foundation vision encoders. To bridge this gap, we propose BEVLM, a framework that connects a spatially consistent and semantically distilled BEV representation with LLMs. Through extensive experiments, we show that BEVLM enables LLMs to reason more effectively in cross-view driving scenes, improving accuracy by 46%, by leveraging BEV features as unified inputs. Furthermore, by distilling semantic knowledge from LLMs into BEV representations, BEVLM significantly improves closed-loop end-to-end driving performance by 29% in safety-critical scenarios.
Authors: Yingni Wanga, Yunxiao Liua, Licong Dongc, Xuzhou Wua, Huabin Zhangb, Qiongyu Yed, Desheng Sunc, Xiaobo Zhoue, Kehong Yuan
Abstract: Fetal standard scan plane detection during 2-D mid-pregnancy examinations is a highly complex task, which requires extensive medical knowledge and years of training. Although deep neural networks (DNN) can assist inexperienced operators in these tasks, their lack of transparency and interpretability limit their application. Despite some researchers have been committed to visualizing the decision process of DNN, most of them only focus on the pixel-level features and do not take into account the medical prior knowledge. In this work, we propose an interpretable framework based on key medical concepts, which provides explanations from the perspective of clinicians' cognition. Moreover, we utilize a concept-based graph convolutional neural(GCN) network to construct the relationships between key medical concepts. Extensive experimental analysis on a private dataset has shown that the proposed method provides easy-to-understand insights about reasoning results for clinicians.
Authors: Tiago da Silva, Bruna Bazaluk, Eliezer de Souza da Silva, Ant\'onio G\'ois, Salem Lahlou, Dominik Heider, Samuel Kaski, Diego Mesquita, Ad\`ele Helena Ribeiro
Abstract: Causal discovery (CD) is an important component of many scientific applications, yet most techniques produce unreliable point estimates that often contradict expert knowledge. To mitigate this, recent research has focused on ex-ante incorporation of background knowledge into the CD process, typically under an unrealistic causal sufficiency assumption. When probing experts is costly (e.g., hidden behind expensive LLM APIs), however, ex-post model refinement that maximizes query utility is preferable. Also, when independent experts provide conflicting but better-than-random feedback, a principled aggregation method is required. In this context, we introduce the first CD algorithm that enables (i) distributional inference over ancestral graphs (AGs), which represent causal systems under latent confounding, and (ii) integration of both ex-ante and uncertain ex-post expert knowledge. Briefly, our method is a diversity-seeking reinforcement learning algorithm, termed Ancestral GFlowNet (AGFN), whose policy we iteratively refine based on a Bayesian model of the noisy expert feedback. Importantly, we prove convergence to the true AG given sufficiently accurate responses. Through validation on synthetic and realistic datasets using simulated humans and LLMs, we show AGFN is competitive with or superior to strong baselines in terms of structural Hamming distance and Bayesian Information Criterion.
Authors: Ben Adcock, Juan M. Cardenas, Nick Dexter
Abstract: We study the fundamental problem of learning an unknown object from data using a prescribed model class. We introduce a unified framework that accommodates objects in arbitrary Hilbert spaces, general (possibly vector-valued) random linear measurements and general types of nonlinear models. We establish novel learning guarantees for this framework that explicitly relate the required amount of data to structural properties of the model class, yielding near-optimal generalization bounds. A central concept we introduce is the variation of a model class relative to a distribution of sampling operators, which quantifies how the model interacts with the measurement process. Combined with entropy integrals that capture the model's complexity, this forms the foundation of our guarantees. Our framework is sufficiently general to recover and unify various well-known problems, such as matrix sketching, compressed sensing with isotropic measurements and compressed sensing with generative models. In each case, existing results arise as direct corollaries of our theory. For compressed sensing with generative models, we also derive the first guarantees for arbitrary Lipschitz generative maps combined with general linear measurements. Overall, our work provides a unified perspective on learning from general data and introduces novel theoretical guarantees that consolidate, sharpen and extend existing results.
Authors: Zihao Chen, Faiek Ahsan, Johannes Leugering, Gert Cauwenberghs, Shantanu Chakrabartty
Abstract: Neuromorphic or neurally-inspired optimizers rely on local but parallel parameter updates to solve problems that range from quadratic programming to Ising machines. An ideal realization of such an optimizer not only uses a compute-in-memory (CIM) paradigm to address the so-called memory-wall (i.e. energy dissipated due to repeated memory read access), but also uses a learning-in-memory (LIM) paradigm to address the energy bottlenecks due to repeated memory writes at the precision required for optimization (the update-wall), and to address the energy bottleneck due to the repeated transfer of information between short-term and long-term memories (the consolidation-wall). In this paper, we derive theoretical estimates for the energy-to-solution metric that can be achieved by this ideal neuromorphic optimizer which is realized by modulating the energy-barrier of the physical memories such that the dynamics of memory updates and memory consolidation matches the optimization or the annealing dynamics. The analysis presented in this paper captures the out-of-equilibrium thermodynamics of learning and the resulting energy-efficiency estimates are model-agnostic which only depend on the number of model-update operations (OPS), the model-size in terms of number of parameters, the speed of convergence, and the precision of the solution. To show the practical applicability of our results, we apply our analysis for estimating the lower-bound on the energy-to-solution metrics for large-scale AI workloads.
Authors: Bj\"orn van Zwol, Ro Jefferson, Egon L. van den Broek
Abstract: Recent years have witnessed a growing call for renewed emphasis on neuroscience-inspired approaches in artificial intelligence research, under the banner of NeuroAI. A prime example of this is predictive coding networks (PCNs), based on the neuroscientific framework of predictive coding. This framework views the brain as a hierarchical Bayesian inference model that minimizes prediction errors through feedback connections. Unlike traditional neural networks trained with backpropagation (BP), PCNs utilize inference learning (IL), a more biologically plausible algorithm that explains patterns of neural activity that BP cannot. Historically, IL has been more computationally intensive, but recent advancements have demonstrated that it can achieve higher efficiency than BP with sufficient parallelization. Furthermore, PCNs can be mathematically considered a superset of traditional feedforward neural networks (FNNs), significantly extending the range of trainable architectures. As inherently probabilistic (graphical) latent variable models, PCNs provide a versatile framework for both supervised learning and unsupervised (generative) modeling that goes beyond traditional artificial neural networks. This work provides a comprehensive review and detailed formal specification of PCNs, particularly situating them within the context of modern ML methods. This positions PC as a promising framework for future ML innovations.
Authors: Yao Ni, Shan Zhang, Piotr Koniusz
Abstract: Parameter-Efficient Fine-Tuning (PEFT) effectively adapts pre-trained transformers to downstream tasks. However, the optimization of tasks performance often comes at the cost of generalizability in fine-tuned models. To address this issue, we theoretically connect smaller weight gradient norms during training and larger datasets to the improvements in model generalization. Motivated by this connection, we propose reducing gradient norms for enhanced generalization and aligning fine-tuned model with the pre-trained counterpart to retain knowledge from large-scale pre-training data. Yet, naive alignment does not guarantee gradient reduction and can potentially cause gradient explosion, complicating efforts to manage gradients. To address such an issue, we propose PACE, marrying generalization of PArameter-efficient fine-tuning with Consistency rEgularization. We perturb features learned from the adapter with the multiplicative noise and ensure the fine-tuned model remains consistent for same sample under different perturbations. Theoretical analysis shows that PACE not only implicitly regularizes gradients for enhanced generalization, but also implicitly aligns the fine-tuned and pre-trained models to retain knowledge. Experimental evidence supports our theories. PACE surpasses existing PEFT methods in visual adaptation tasks (VTAB-1k, FGVC, few-shot learning, domain adaptation) showcasing its potential for resource-efficient fine-tuning. It also improves LoRA in text classification (GLUE) and mathematical reasoning (GSM-8K). The code is available at https://github.com/MaxwellYaoNi/PACE
Authors: Ahmad Mousavi, Ramin Zandvakili, Zheming Gao
Abstract: Kernel-free quadratic surface support vector machines (QSVM) have recently gained traction due to their flexibility in modeling nonlinear decision boundaries without relying on kernel functions. However, the introduction of a full quadratic classifier significantly increases the number of model parameters, scaling quadratically with data dimensionality, which often leads to overfitting and makes interpretation difficult. To address these challenges, we propose sparse variants of the QSVM by enforcing a cardinality constraint on the model parameters. While enhancing generalization and promoting sparsity, leveraging the $\ell_0$-norm inevitably incurs additional computational complexity. To tackle this, we develop a penalty decomposition algorithm capable of producing solutions that provably satisfy the first-order Lu-Zhang optimality conditions. We show that the subproblems arising within the algorithm either admit closed-form solutions or can be solved efficiently through dual formulations, which contributes to the method's overall effectiveness. Besides, we analyze the convergence behavior of the algorithm under both loss settings. In addition, the numerical experiments on public benchmark datasets indicate that the proposed model is competitive with commonly used SVM variants and produces sparse solutions as expected. Moreover, its strong performance on real-world credit datasets demonstrates its potential for credit scoring applications.
Authors: Joongwon Lee, Seonghwan Kim, Seokhyun Moon, Hyunwoo Kim, Woo Youn Kim
Abstract: We introduce FragFM, a novel hierarchical framework via fragment-level discrete flow matching for efficient molecular graph generation. FragFM generates molecules at the fragment level, leveraging a coarse-to-fine autoencoder to reconstruct details at the atom level. Together with a stochastic fragment bag strategy to effectively handle a large fragment space, our framework enables more efficient, scalable molecular generation. We demonstrate that our fragment-based approach achieves better property control than the atom-based method and additional flexibility through conditioning the fragment bag. We also propose a Natural Product Generation benchmark (NPGen) to evaluate the ability of modern molecular graph generative models to generate natural product-like molecules. Since natural products are biologically prevalidated and differ from typical drug-like molecules, our benchmark provides a more challenging yet meaningful evaluation relevant to drug discovery. We conduct a comparative study of FragFM against various models on diverse molecular generation benchmarks, including NPGen, demonstrating superior performance. The results highlight the potential of fragment-based generative modeling for large-scale, property-aware molecular design, paving the way for more efficient exploration of chemical space.
Authors: Xiangwen Wang, Yibo Jacky Zhang, Zhoujie Ding, Katherine Tsai, Haolun Wu, Sanmi Koyejo
Abstract: Compound AI systems, comprising multiple interacting components such as LLMs, foundation models, and external tools, have demonstrated remarkable improvements compared to single models in various tasks. To ensure their effective deployment in real-world applications, aligning these systems with human preferences is crucial. However, aligning the compound system via policy optimization, unlike the alignment of a single model, is challenging for two main reasons: (i) non-differentiable interactions between components make end-to-end gradient-based optimization method inapplicable, and (ii) system-level preferences cannot be directly transformed into component-level preferences. To address these challenges, we first formulate compound AI systems as Directed Acyclic Graphs (DAGs), explicitly modeling both component interactions and the associated data flows. Building on this formulation, we introduce $\textbf{SysDPO}$, a framework that extends Direct Preference Optimization (DPO) to enable joint system-level alignment. We propose two variants, SysDPO-Direct and SysDPO-Sampling, tailored for scenarios depending on whether we construct a system-specific preference dataset. We empirically demonstrate the effectiveness of our approach across two applications: the joint alignment of a language model and a diffusion model, and the joint alignment of an LLM collaboration system.
Authors: Hamidreza Mirkhani, Behzad Khamidehi, Ehsan Ahmadi, Mohammed Elmahgiubi, Weize Zhang, Fazel Arasteh, Umar Rajguru, Kasra Rezaee, Dongfeng Bai
Abstract: In this paper, we introduce Context-Aware Priority Sampling (CAPS), a novel method designed to enhance data efficiency in learning-based autonomous driving systems. CAPS addresses the challenge of imbalanced datasets in imitation learning by leveraging Vector Quantized Variational Autoencoders (VQ-VAEs). In this way, we can get structured and interpretable data representations, which help to reveal meaningful patterns in the data. These patterns are used to group the data into clusters, with each sample being assigned a cluster ID. The cluster IDs are then used to re-balance the dataset, ensuring that rare yet valuable samples receive higher priority during training. We evaluate our method through closed-loop experiments in the CARLA simulator. The results on Bench2Drive scenarios demonstrate the effectiveness of CAPS in enhancing model generalization, with substantial improvements in both driving score and success rate.
Authors: Xinyu Zhang, Shanshan Feng, Xutao Li, Kenghong Lin, Fan Li, Pengfei Jia
Abstract: Using pre-trained large language models (LLMs) as a backbone for time series prediction has recently attracted growing research interest. Existing approaches typically split time series into patches, map them to the token space of LLMs via a Tokenizer, process the tokens through a frozen or fine-tuned LLM backbone, and then reconstruct numerical forecasts using a Detokenizer. However, the actual effectiveness of LLMs for time series forecasting remains under debate. We observe that when trained and evaluated on small datasets, these Tokenizer-Detokenizer pairs often overfit to the specific data distribution, thereby masking the intrinsic predictive capability of the LLM backbone. To investigate the inherent potential of LLMs in this context, we design three models with identical architectures but distinct pre-training strategies. By leveraging large-scale pre-training, we obtain more unbiased Tokenizer-Detokenizer pairs that are seamlessly integrated with the LLM backbone. Through controlled experiments, we evaluate the zero-shot and few-shot forecasting performance of the LLM, offering insights into its true capabilities. Our extensive experiments reveal that, although the LLM backbone shows some promise, its performance remains limited and does not consistently surpass that of models specifically trained on large-scale time series data. Our source code is publicly available in the repository: https://github.com/SiriZhang45/LLM4TS.
Authors: Ratun Rahman
Abstract: Federated Learning (FL) has emerged as a transformative paradigm in the field of distributed machine learning, enabling multiple clients such as mobile devices, edge nodes, or organizations to collaboratively train a shared global model without the need to centralize sensitive data. This decentralized approach addresses growing concerns around data privacy, security, and regulatory compliance, making it particularly attractive in domains such as healthcare, finance, and smart IoT systems. This survey provides a concise yet comprehensive overview of Federated Learning, beginning with its core architecture and communication protocol. We discuss the standard FL lifecycle, including local training, model aggregation, and global updates. A particular emphasis is placed on key technical challenges such as handling non-IID (non-independent and identically distributed) data, mitigating system and hardware heterogeneity, reducing communication overhead, and ensuring privacy through mechanisms like differential privacy and secure aggregation. Furthermore, we examine emerging trends in FL research, including personalized FL, cross-device versus cross-silo settings, and integration with other paradigms such as reinforcement learning and quantum computing. We also highlight real-world applications and summarize benchmark datasets and evaluation metrics commonly used in FL research. Finally, we outline open research problems and future directions to guide the development of scalable, efficient, and trustworthy FL systems.
Authors: Jae Yong Lee, Gwang Jae Jung, Byung Chan Lim, Hyung Ju Hwang
Abstract: The Boltzmann equation, a fundamental model in kinetic theory, describes the evolution of particle distribution functions through a nonlinear, high-dimensional collision operator. However, its numerical solution remains computationally demanding, particularly for inelastic collisions and high-dimensional velocity domains. In this work, we propose the Fourier Neural Spectral Network (FourierSpecNet), a hybrid framework that integrates the Fourier spectral method with deep learning to approximate the collision operator in Fourier space efficiently. FourierSpecNet achieves resolution-invariant learning and supports zero-shot super-resolution, enabling accurate predictions at unseen resolutions without retraining. Beyond empirical validation, we establish a consistency result showing that the trained operator converges to the spectral solution as the discretization is refined. We evaluate our method on several benchmark cases, including Maxwellian and hard-sphere molecular models, as well as inelastic collision scenarios. The results demonstrate that FourierSpecNet offers competitive accuracy while significantly reducing computational cost compared to traditional spectral solvers. Our approach provides a robust and scalable alternative for solving the Boltzmann equation across both elastic and inelastic regimes.
Authors: Haiqing Hao, Nikola Zubi\'c, Weihua He, Zhipeng Sui, Davide Scaramuzza, Wenhui Wang
Abstract: Event cameras deliver visual data with high temporal resolution, low latency, and minimal redundancy, yet their asynchronous, sparse sequential nature challenges standard tensor-based machine learning (ML). While the recent asynchronous-to-synchronous (A2S) paradigm aims to bridge this gap by asynchronously encoding events into learned features for ML pipelines, existing A2S approaches often sacrifice expressivity and generalizability compared to dense, synchronous methods. This paper introduces EVA (EVent Asynchronous feature learning), a novel A2S framework to generate highly expressive and generalizable event-by-event features. Inspired by the analogy between events and language, EVA uniquely adapts advances from language modeling in linear attention and self-supervised learning for its construction. In demonstration, EVA outperforms prior A2S methods on recognition tasks (DVS128-Gesture and N-Cars), and represents the first A2S framework to successfully master demanding detection tasks, achieving a 0.477 mAP on the Gen1 dataset. These results underscore EVA's potential for advancing real-time event-based vision applications.
Authors: Md Hasan Shahriar, Md Mohaimin Al Barat, Harshavardhan Sundar, Ning Zhang, Naren Ramakrishnan, Y. Thomas Hou, Wenjing Lou
Abstract: Multimodal fusion (MMF) plays a critical role in the perception of autonomous driving, which primarily fuses camera and LiDAR streams for a comprehensive and efficient scene understanding. However, its strict reliance on precise temporal synchronization exposes it to new vulnerabilities. In this paper, we introduce DejaVu, an attack that exploits the in-vehicular network to manipulate the integrity of time and create subtle temporal misalignments, severely degrading downstream MMF-based perception tasks. Our comprehensive attack analysis across different models and datasets reveals the sensors' task-specific imbalanced sensitivities: object detection is overly dependent on LiDAR inputs, while object tracking is highly reliant on the camera inputs. Consequently, with a single-frame LiDAR delay, an attacker can reduce the car detection mAP by up to 88.5%, while with a three-frame camera delay, multiple object tracking accuracy (MOTA) for car drops by 73%. We further demonstrated two attack scenarios using an automotive Ethernet testbed for hardware-in-the-loop validation and the Autoware stack for end-to-end AD simulation, demonstrating the feasibility of the DejaVu attack and its severe impact, such as collisions and phantom braking. Our code and artifacts are publicly available at: https://github.com/shahriar0651/DejaVu.
Authors: Nodens Koren, Samuel Lanthaler
Abstract: We propose the *State Space Neural Operator* (SS-NO), a compact architecture for learning solution operators of time-dependent partial differential equations (PDEs). Our formulation extends structured state space models (SSMs) to joint spatiotemporal modeling, introducing two key mechanisms: *adaptive damping*, which stabilizes learning by localizing receptive fields, and *learnable frequency modulation*, which enables data-driven spectral selection. These components provide a unified framework for capturing long-range dependencies with parameter efficiency. Theoretically, we establish connections between SSMs and neural operators, proving a universality theorem for convolutional architectures with full field-of-view. Empirically, SS-NO achieves state-of-the-art performance across diverse PDE benchmarks-including 1D Burgers' and Kuramoto-Sivashinsky equations, and 2D Navier-Stokes and compressible Euler flows-while using significantly fewer parameters than competing approaches. A factorized variant of SS-NO further demonstrates scalable performance on challenging 2D problems. Our results highlight the effectiveness of damping and frequency learning in operator modeling, while showing that lightweight factorization provides a complementary path toward efficient large-scale PDE learning.
Authors: Lei Pang, Jun Luo, Ruinan Jin
Abstract: Group Relative Policy Optimization (GRPO), recently introduced by DeepSeek, is a critic-free reinforcement learning algorithm for fine-tuning large language models. GRPO replaces the value function in Proximal Policy Optimization (PPO) with group-normalized rewards while retaining PPO-style token-level importance sampling based on an old policy. Our theoretical analysis reveals that the GRPO update rule estimates the policy gradient at the old policy rather than the current one; however, since the old policy is refreshed every few steps, the resulting discrepancy remains small and the induced bias is negligible in practice. To empirically validate this insight, we conduct an ablation study that entirely removes importance sampling and performs multiple optimization steps using gradients estimated at a fixed old policy. Remarkably, this simplified variant attains performance comparable to standard GRPO. Motivated by this finding, we propose Trajectory-level Importance-Corrected GRPO (TIC-GRPO), a new algorithm that replaces token-level importance ratios with a single trajectory-level probability ratio, thereby yielding an estimate of the current policy gradient while preserving the critic-free structure. Furthermore, we present the first convergence analysis for GRPO-style methods and show that TIC-GRPO converges faster than GRPO. Finally, empirical results across math reasoning and coding tasks demonstrate the superiority of TIC-GRPO.
Authors: Zhankun Luo, Abolfazl Hashemi
Abstract: Mixture models have attracted significant attention due to practical effectiveness and comprehensive theoretical foundations. A persisting challenge is model misspecification, which occurs when the model to be fitted has more mixture components than those in the data distribution. In this paper, we develop a theoretical understanding of the Expectation-Maximization (EM) algorithm's behavior in the context of targeted model misspecification for overspecified two-component Mixed Linear Regression (2MLR) with unknown $d$-dimensional regression parameters and mixing weights. In Theorem 5.1 at the population level, with an unbalanced initial guess for mixing weights, we establish linear convergence of regression parameters in $O(\log(1/\epsilon))$ steps. Conversely, with a balanced initial guess for mixing weights, we observe sublinear convergence in $O(\epsilon^{-2})$ steps to achieve the $\epsilon$-accuracy at Euclidean distance. In Theorem 6.1 at the finite-sample level, for mixtures with sufficiently unbalanced fixed mixing weights, we demonstrate a statistical accuracy of $O((d/n)^{1/2})$, whereas for those with sufficiently balanced fixed mixing weights, the accuracy is $O((d/n)^{1/4})$ given $n$ data samples. Furthermore, we underscore the connection between our population level and finite-sample level results: by setting the desired final accuracy $\epsilon$ in Theorem 5.1 to match that in Theorem 6.1 at the finite-sample level, namely letting $\epsilon = O((d/n)^{1/2})$ for sufficiently unbalanced fixed mixing weights and $\epsilon = O((d/n)^{1/4})$ for sufficiently balanced fixed mixing weights, we intuitively derive iteration complexity bounds $O(\log (1/\epsilon))=O(\log (n/d))$ and $O(\epsilon^{-2})=O((n/d)^{1/2})$ at the finite-sample level for sufficiently unbalanced and balanced initial mixing weights. We further extend our analysis in overspecified setting to low SNR regime.
Authors: Geri Skenderi
Abstract: Graph Neural Networks (GNNs) have gathered increasing interest as learnable solvers of Boolean Satisfiability Problems (SATs), operating on graph representations of logical formulas. However, their performance degrades sharply on harder and more constrained instances, raising questions about architectural limitations. In this paper, we work towards a geometric explanation built upon graph Ricci Curvature (RC). We prove that bipartite graphs derived from random k-SAT formulas are inherently negatively curved, and that this curvature decreases with instance difficulty. Given that negative graph RC indicates local connectivity bottlenecks, we argue that GNN solvers are affected by oversquashing, a phenomenon where long-range dependencies become impossible to compress into fixed-length representations. We validate our claims empirically across different SAT benchmarks and confirm that curvature is both a strong indicator of problem complexity and can be used to predict generalization error. Finally, we connect our findings to the design of existing solvers and outline promising directions for future work.
Authors: Yuan Pu, Yazhe Niu, Jia Tang, Junyu Xiong, Shuai Hu, Hongsheng Li
Abstract: In heterogeneous multi-task decision-making, tasks not only exhibit diverse observation and action spaces but also vary substantially in their underlying complexities. While conventional multi-task world models like UniZero excel in single-task settings, we find that when handling a broad and diverse suite of tasks, gradient conflicts and the loss of model plasticity often constrain their sample efficiency. In this work, we address these challenges from two complementary perspectives: the single learning iteration and the overall learning process. First, to mitigate the gradient conflicts, we systematically investigate key architectural designs for extending UniZero. Our investigation identifies a Mixture-of-Experts (MoE) architecture as the most effective approach. We demonstrate, both theoretically and empirically, that this architecture alleviates gradient conflicts by routing task-specific representations to specialized sub-networks. This finding leads to our proposed model, \textit{ScaleZero}. Second, to dynamically allocate model capacity throughout the learning process, we introduce an online Dynamic Parameter Scaling (DPS) strategy. This strategy progressively integrates LoRA adapters in response to task-specific progress, enabling adaptive knowledge retention and parameter expansion. Evaluations on a diverse set of standard benchmarks (Atari, DMC, Jericho) demonstrate that ScaleZero, utilizing solely online reinforcement learning with one model, performs on par with specialized single-task agents. With the DPS strategy, it remains competitive while using just 71.5% of the environment interactions. These findings underscore the potential of ScaleZero for effective multi-task planning. Our code is available at \textcolor{magenta}{https://github.com/opendilab/LightZero}.
Authors: Victor Garcia, Mariia Sidulova, Aldo Badano
Abstract: Language models (LMs) represent an emerging paradigm within artificial intelligence, with applications throughout the medical enterprise. A comprehensive understanding of the clinical task and awareness of the variability in performance when implemented in actual clinical environments lays the foundation for the LM application assessment. Presently, a prevalent method for evaluating the performance of these generative models relies on quantitative benchmarks. Such benchmarks have limitations and may suffer from train-to-the-test overfitting, optimizing performance for a specified test set at the cost of generalizability across other tasks and data distributions. Evaluation strategies leveraging human expertise and utilizing cost-effective computational models as evaluators are gaining interest. We discuss current state-of-the-art methodologies for assessing the performance of LM applications in healthcare and medical devices.
Authors: Chentao Cao, Xiaojun Xu, Bo Han, Hang Li
Abstract: As large language models (LLMs) continue to advance in capabilities, ensuring their safety against jailbreak attacks remains a critical challenge. In this paper, we introduce a novel safety alignment approach called Answer-Then-Check, which enhances LLM robustness against malicious prompts by applying thinking ability to mitigate jailbreaking problems before producing a final answer to the user. Our method enables models to answer the question in their thoughts directly and then critically evaluate its safety before deciding whether to provide it. To implement this approach, we construct the Reasoned Safety Alignment (ReSA) dataset, comprising 80K samples that teach models to reason through direct responses and then analyze their safety. Experimental results demonstrate that our approach achieves the Pareto frontier with superior safety capability while decreasing over-refusal rates. Notably, the fine-tuned model maintains general reasoning capabilities on benchmarks like MMLU, MATH500, and HumanEval. Besides, our method equips models with the ability to perform safe completion, while post-hoc detection methods can only directly reject sensitive, harmful queries (e.g., self-harm). Our results show that inference-time strategies alone are insufficient, highlighting the necessity of safety training, and we find even $500$ samples can yield performance comparable to the entire dataset, suggesting a promising path for data-efficient safety alignment. The dataset is publicly available at: https://huggingface.co/datasets/ByteDance-Seed/ReSA.
Authors: Kunlun Xu, Yibo Feng, Jiangmeng Li, Yongsheng Qi, Jiahuan Zhou
Abstract: Federated continual learning (FCL) tackles scenarios of learning from continuously emerging task data across distributed clients, where the key challenge lies in addressing both temporal forgetting over time and spatial forgetting simultaneously. Recently, prompt-based FCL methods have shown advanced performance through task-wise prompt communication.In this study, we underscore that the existing prompt-based FCL methods are prone to class-wise knowledge coherence between prompts across clients. The class-wise knowledge coherence includes two aspects: (1) intra-class distribution gap across clients, which degrades the learned semantics across prompts, (2) inter-prompt class-wise relevance, which highlights cross-class knowledge confusion. During prompt communication, insufficient class-wise coherence exacerbates knowledge conflicts among new prompts and induces interference with old prompts, intensifying both spatial and temporal forgetting. To address these issues, we propose a novel Class-aware Client Knowledge Interaction (C${}^2$Prompt) method that explicitly enhances class-wise knowledge coherence during prompt communication. Specifically, a local class distribution compensation mechanism (LCDC) is introduced to reduce intra-class distribution disparities across clients, thereby reinforcing intra-class knowledge consistency. Additionally, a class-aware prompt aggregation scheme (CPA) is designed to alleviate inter-class knowledge confusion by selectively strengthening class-relevant knowledge aggregation. Extensive experiments on multiple FCL benchmarks demonstrate that C${}^2$Prompt achieves state-of-the-art performance. Our source code is available at https://github.com/zhoujiahuan1991/NeurIPS2025-C2Prompt
URLs: https://github.com/zhoujiahuan1991/NeurIPS2025-C2Prompt
Authors: Liya Gaynutdinova, Petr Havl\'asek, Ond\v{r}ej Roko\v{s}, Fleur Hendriks, Martin Do\v{s}k\'a\v{r}
Abstract: This paper introduces a deep learning approach for predicting time-dependent full-field damage in concrete. The study uses an auto-regressive U-Net model to predict the evolution of the scalar damage field in a unit cell given microstructural geometry and evolution of an imposed shrinkage profile. By sequentially using the predicted damage output as input for subsequent predictions, the model facilitates the continuous assessment of damage progression. Complementarily, a convolutional neural network (CNN) utilises the damage estimations to forecast key mechanical properties, including observed shrinkage and residual stiffness. The proposed dual-network architecture demonstrates high computational efficiency and robust predictive performance on the synthesised datasets. The approach reduces the computational load traditionally associated with full-field damage evaluations and is used to gain insights into the relationship between aggregate properties, such as shape, size, and distribution, and the effective shrinkage and reduction in stiffness. Ultimately, this can help to optimize concrete mix designs, leading to improved durability and reduced internal damage.
Authors: Fred Zhangzhi Peng, Zachary Bezemek, Jarrid Rector-Brooks, Shuibai Zhang, Anru R. Zhang, Michael Bronstein, Alexander Tong, Avishek Joey Bose
Abstract: Diffusion language models have emerged as a powerful alternative to autoregressive models, enabling fast inference through more flexible and parallel generation paths. This flexibility of sampling is unlocked by new engineered sampling strategies, or planners, that select more favorable generation paths by iteratively planning - versus uniformly at random - where to denoise along the sequence. However, by modifying the reverse paths via planning, planners create an irrevocable mismatch between the uniformly random denoising paths assumed during training and planning-based inference. In this paper, we systematically investigate the mismatch of discrete diffusion training and inference under planning and theoretically prove that the standard discrete diffusion training evidence lower bound (ELBO) does not accurately describe a denoiser that uses a non-uniform planner. To address this gap, we derive a new planned evidence lower bound (P-ELBO) that incorporates planner-based reverse dynamics directly into the training objective. Using the P-ELBO, we introduce Planner Aware Path Learning (PAPL), a novel training scheme that aligns training and inference under a planned denoiser. PAPL is implemented as a simple yet effective modification to the standard masked discrete diffusion loss, making it widely applicable and easy to adopt. Empirically, we show PAPL delivers consistent gains across domains, including a 40% relative improvement in protein sequences, improved text generation with up to a 4x relative MAUVE gain, and 23% relative improvement in code generation HumanEval pass@10. Code is available at github.com/pengzhangzhi/PAPL .
Authors: Jaewoo Lee, Minsu Kim, Sanghyeok Choi, Inhyuck Song, Sujin Yun, Hyeongyu Kang, Woocheol Shin, Taeyoung Yun, Kiyoung Om, Jinkyoo Park
Abstract: Diffusion alignment aims to optimize diffusion models for the downstream objective. While existing methods based on reinforcement learning or direct backpropagation achieve considerable success in maximizing rewards, they often suffer from reward over-optimization and mode collapse. We introduce Diffusion Alignment as Variational Expectation-Maximization (DAV), a framework that formulates diffusion alignment as an iterative process alternating between two complementary phases: the E-step and the M-step. In the E-step, we employ test-time search to generate diverse and reward-aligned samples. In the M-step, we refine the diffusion model using samples discovered by the E-step. We demonstrate that DAV can optimize reward while preserving diversity for both continuous and discrete tasks: text-to-image synthesis and DNA sequence design. Our code is available at https://github.com/Jaewoopudding/dav.
Authors: Federico Cinus, Yuko Kuroki, Atsushi Miyauchi, Francesco Bonchi
Abstract: We study the problem of minimizing polarization and disagreement in the Friedkin-Johnsen opinion dynamics model under incomplete information. Unlike prior work that assumes a static setting with full knowledge of agents' innate opinions, we address the more realistic online setting where innate opinions are unknown and must be learned through sequential observations. This novel setting, which naturally mirrors periodic interventions on social media platforms, is formulated as a regret minimization problem, establishing a key connection between algorithmic interventions on social media platforms and the theory of multi-armed bandits. In our formulation, a learner observes only a scalar feedback of the overall polarization and disagreement after an intervention. For this novel bandit problem, we propose a two-stage algorithm based on low-rank matrix bandits. The algorithm first performs subspace estimation to identify an underlying low-dimensional structure, and then employs a linear bandit algorithm within the compact dimensional representation derived from the estimated subspace. We show that our algorithm achieves the cumulative regret of $\widetilde{\mathcal{O}}\big(\max(\tfrac{1}{\kappa},\sqrt{|V|})\sqrt{|V|T}\big)$ over time horizon $T$, where $V$ is the set of agents and $\kappa$ is a parameter dependent on the diversity of interventions. Empirical results validate that our algorithm significantly outperforms a linear bandit baseline in terms of both cumulative regret and running time.
Authors: Paloma Garc\'ia-de-Herreros, Philipp Slusallek, Dietrich Klakow, Vagrant Gautam
Abstract: While large language models are primarily used on natural language tasks, they have also shown great promise when adapted to new modalities, e.g., for scientific machine learning tasks. Most proposed approaches for such cross-modal adaptation of language models focus on encoder-only transformer model architectures, despite decoder-only architectures being far more popular for language tasks in recent years, and being trained at much larger scales. This raises the question of how model architecture affects cross-modal adaptation approaches, and whether we can leverage the success of decoder-only models. In this paper, we systematically compare encoder-only and decoder-only language models on cross-modal adaptation for time-dependent simulation tasks based on partial differential equations (PDEs). We find that decoder-only models are far worse than encoder-only models, when existing approaches are applied unmodified. In contrast to several other domains, scaling decoder-only models also does not help. To enhance the performance of decoder-only models in this context, we introduce two novel approaches that mimic bidirectionality, Parallel Flipping and Sequence Doubling. Both our methods improve overall performance using decoder-only models for all tasks and all cross-modal adaptation methods, closing the gap to encoder-only model performance. We hope that our findings broaden the spectrum of models used on cross-modal adaptation tasks to further scientific machine learning.
Authors: Akira Ito, Masanori Yamada, Daiki Chijiwa, Atsutoshi Kumagai
Abstract: Recently, Ainsworth et al. empirically demonstrated that, given two independently trained models, applying a parameter permutation that preserves the input-output behavior allows the two models to be connected by a low-loss linear path. When such a path exists, the models are said to achieve linear mode connectivity (LMC). Prior studies, including Ainsworth et al.(2023), have reported that achieving LMC requires not only an appropriate permutation search but also sufficiently wide models (e.g., a 32 $\times$ width multiplier for ResNet-20). This is broadly believed to be because increasing the model width ensures a large enough space of candidate permutations, increasing the chance of finding one that yields LMC. In this work, we empirically demonstrate that, even without any permutations, simply widening the models is sufficient for achieving LMC when using a suitable softmax temperature calibration. We further explain why this phenomenon arises by analyzing intermediate layer outputs. Specifically, we introduce layerwise exponentially weighted connectivity (LEWC), which states that the output of each layer of the merged model can be represented as an exponentially weighted sum of the outputs of the corresponding layers of the original models. Consequently the merged model's output matches that of an ensemble of the original models, facilitating LMC. To the best of our knowledge, this work is the first to show that widening the model not only facilitates nonlinear mode connectivity, as suggested in prior research, but also significantly increases the possibility of achieving linear mode connectivity.
Authors: Seo Hyun Kim, Sunwoo Hong, Hojung Jung, Youngrok Park, Se-Young Yun
Abstract: Masked diffusion models have demonstrated competitive results on various tasks including language generation. However, due to its iterative refinement process, the inference is often bottlenecked by slow and static sampling speed. To overcome this problem, we introduce `KL-Adaptive Stability Sampling' (KLASS), a fast yet effective sampling method that exploits token-level KL divergence to identify stable, high-confidence predictions. By unmasking multiple tokens in each iteration without any additional model training, our approach speeds up generation significantly while maintaining sample quality. On reasoning benchmarks, KLASS achieves up to $2.78\times$ wall-clock speedups while improving performance over standard greedy decoding, attaining state-of-the-art results among diffusion-based samplers. We further validate KLASS across diverse domains, including text, image, and molecular generation, showing its effectiveness as a broadly applicable sampler across different models.
Authors: Taixi Chen, Yiu-ming Cheung, Yiqun Zhang
Abstract: An appropriate distance metric is crucial for categorical data clustering, as the distance between categorical data cannot be directly calculated. However, the distances between attribute values usually vary in different clusters induced by their different distributions, which has not been taken into account, thus leading to unreasonable distance measurement. Therefore, we propose a cluster-customized distance metric for categorical data clustering, which can competitively update distances based on different distributions of attributes in each cluster. In addition, we extend the proposed distance metric to the mixed data that contains both numerical and categorical attributes. Experiments demonstrate the efficacy of the proposed method, i.e., achieving an average ranking of around first in fourteen datasets. The source code is available at https://anonymous.4open.science/r/CADM-47D8
Authors: Zhiwen Qiu, Ziang Liu, Wenqian Niu, Tapomayukh Bhattacharjee, Saleh Kalantari
Abstract: Modeling the cognitive and experiential factors of human navigation is central to deepening our understanding of human-environment interaction and to enabling safe social navigation and effective assistive wayfinding. Most existing methods focus on forecasting motions in fully observed scenes and often neglect human factors that capture how people feel and respond to space. To address this gap, We propose EgoCogNav, a multimodal egocentric navigation framework that predicts perceived path uncertainty as a latent state and jointly forecasts trajectories and head motion by fusing scene features with sensory cues. To facilitate research in the field, we introduce the Cognition-aware Egocentric Navigation (CEN) dataset consisting 6 hours of real-world egocentric recordings capturing diverse navigation behaviors in real-world scenarios. Experiments show that EgoCogNav learns the perceived uncertainty that highly correlates with human-like behaviors such as scanning, hesitation, and backtracking while generalizing to unseen environments.
Authors: Hyeongyu Kang, Jaewoo Lee, Woocheol Shin, Kiyoung Om, Jinkyoo Park
Abstract: Diffusion models excel at generating high-likelihood samples but often require alignment with downstream objectives. Existing fine-tuning methods for diffusion models significantly suffer from reward over-optimization, resulting in high-reward but unnatural samples and degraded diversity. To mitigate over-optimization, we propose Soft Q-based Diffusion Finetuning (SQDF), a novel KL-regularized RL method for diffusion alignment that applies a reparameterized policy gradient of a training-free, differentiable estimation of the soft Q-function. SQDF is further enhanced with three innovations: a discount factor for proper credit assignment in the denoising process, the integration of consistency models to refine Q-function estimates, and the use of an off-policy replay buffer to improve mode coverage and manage the reward-diversity trade-off. Our experiments demonstrate that SQDF achieves superior target rewards while preserving diversity in text-to-image alignment. Furthermore, in online black-box optimization, SQDF attains high sample efficiency while maintaining naturalness and diversity. Our code is available at https://github.com/Shin-woocheol/SQDF.
Authors: Germ\'an Kruszewski, Pierre Erbacher, Jos Rozen, Marc Dymetman
Abstract: Reinforcement Learning (RL) has become the de facto standard for tuning LLMs to solve tasks involving reasoning. However, growing evidence shows that models trained in such way often suffer from a significant loss in diversity. We argue that this arises because RL implicitly optimizes the "mode-seeking" or "zero-forcing" Reverse KL to a target distribution causing the model to concentrate mass on certain high-probability regions of the target while neglecting others. In this work, we instead begin from an explicit target distribution, obtained by filtering out incorrect answers while preserving the relative probabilities of correct ones. Starting from a pre-trained LLM, we approximate this target distribution using the $\alpha$-divergence family, which unifies prior approaches and enables direct control of the precision-diversity trade-off by interpolating between mode-seeking and mass-covering divergences. On a Lean theorem-proving benchmark, our method achieves state-of-the-art performance along the coverage-precision Pareto frontier, outperforming all prior methods on the coverage axis.
Authors: Xiaocan Li, Shiliang Wu, Zheng Shen
Abstract: Decoupled PPO has been a successful reinforcement learning (RL) algorithm to deal with the high data staleness under the asynchronous RL setting. Decoupled loss used in decoupled PPO improves coupled-loss style of algorithms' (e.g., standard PPO, GRPO) learning stability by introducing a proximal policy to decouple the off-policy correction (importance weight) from the policy update constraint (trust region). However, the proximal policy requires an extra forward pass through the model at each training step, creating a computational overhead for large language models training. We observe that since the proximal policy only serves as a trust region anchor between the behavior and target policies, we can approximate it through simple interpolation without explicit computation. We call this approach A-3PO (APproximated Proximal Policy Optimization). A-3PO eliminates this overhead, accelerating training by 1.8x speedup while maintaining comparable performance. Code \& off-the-shelf example are contributed to the open-source RL training system AReaL at: https://github.com/inclusionAI/AReaL/blob/v1.0.0.rc1/docs/algorithms/prox_approx.md
URLs: https://github.com/inclusionAI/AReaL/blob/v1.0.0.rc1/docs/algorithms/prox_approx.md
Authors: Pramudita Satria Palar, Paul Saves, Rommel G. Regis, Koji Shimoyama, Shigeru Obayashi, Nicolas Verstaevel, Joseph Morlier
Abstract: Explainable machine learning techniques have gained increasing attention in engineering applications, especially in aerospace design and analysis, where understanding how input variables influence data-driven models is essential. Partial Dependence Plots (PDPs) are widely used for interpreting black-box models by showing the average effect of an input variable on the prediction. However, their global sensitivity metric can be misleading when strong interactions are present, as averaging tends to obscure interaction effects. To address this limitation, we propose a global sensitivity metric based on Individual Conditional Expectation (ICE) curves. The method computes the expected feature importance across ICE curves, along with their standard deviation, to more effectively capture the influence of interactions. We provide a mathematical proof demonstrating that the PDP-based sensitivity is a lower bound of the proposed ICE-based metric under truncated orthogonal polynomial expansion. In addition, we introduce an ICE-based correlation value to quantify how interactions modify the relationship between inputs and the output. Comparative evaluations were performed on three cases: a 5-variable analytical function, a 5-variable wind-turbine fatigue problem, and a 9-variable airfoil aerodynamics case, where ICE-based sensitivity was benchmarked against PDP, SHapley Additive exPlanations (SHAP), and Sobol' indices. The results show that ICE-based feature importance provides richer insights than the traditional PDP-based approach, while visual interpretations from PDP, ICE, and SHAP complement one another by offering multiple perspectives.
Authors: Timo Klein, Thomas Lang, Andrii Shkabrii, Alexander Sturm, Kevin Sidak, Lukas Miklautz, Claudia Plant, Yllka Velaj, Sebastian Tschiatschek
Abstract: The exponential volume growth of hyperbolic geometry can embed the hierarchical relationships between states in reinforcement learning (RL) with far less distortion than Euclidean space. However, hyperbolic deep RL faces severe optimization challenges, and formal analysis of why optimization fails is lacking. We identify key factors that determine the success and failure of training hyperbolic deep RL agents. By analyzing the gradients of core operations in the Poincar\'e Ball and Hyperboloid models of hyperbolic geometry, we show that large-norm embeddings destabilize gradient-based training, leading to trust-region violations in proximal policy optimization (PPO). Based on these insights, we introduce Hyper++, a new hyperbolic deep RL agent that consists of three components: (1) feature regularization guaranteeing bounded norms while avoiding the curse of dimensionality from clipping; (2) a categorical value loss for stable critic training; and (3) a more optimization-friendly formulation of hyperbolic network layers. On ProcGen, we show that Hyper++ guarantees stable learning, outperforms prior hyperbolic agents, and reduces wall-clock time by approximately 30%. On Atari-5 with Double DQN, Hyper++ strongly outperforms Euclidean and hyperbolic baselines. We release our code at https://github.com/Probabilistic-and-Interactive-ML/hyper-rl.
URLs: https://github.com/Probabilistic-and-Interactive-ML/hyper-rl.
Authors: Yongxin Wang, Zhicheng Yang, Meng Cao, Mingfei Han, Haokun Lin, Yingying Zhu, Xiaojun Chang, Xiaodan Liang
Abstract: Group-relative reinforcement learning with verifiable rewards (RLVR) often wastes the most informative data it already has the failures. When all rollouts are wrong, gradients stall; when one happens to be correct, the update usually ignores why the others are close-but-wrong, and credit can be misassigned to spurious chains. We present CARE (Contrastive Anchored REflection), a failure-centric post-training framework for multimodal reasoning that turns errors into supervision. CARE combines: (i) an anchored-contrastive objective that forms a compact subgroup around the best rollout and a set of semantically proximate hard negatives, performs within-subgroup z-score normalization with negative-only scaling, and includes an all-negative rescue to prevent zero-signal batches; and (ii) Reflection-Guided Resampling (RGR), a one-shot structured self-repair that rewrites a representative failure and re-scores it with the same verifier, converting near-misses into usable positives without any test-time reflection. CARE improves accuracy and training smoothness while explicitly increasing the share of learning signal that comes from failures. On Qwen2.5-VL-7B, CARE lifts macro-averaged accuracy by 4.6 points over GRPO across six verifiable visual-reasoning benchmarks; with Qwen3-VL-8B it reaches competitive or state-of-the-art results on MathVista and MMMU-Pro under an identical evaluation protocol.
Authors: Bing Hao, Minglai Shao, Zengyi Wo, Yunlong Chu, Yuhang Liu, Ruijie Wang
Abstract: The widespread application of Large Language Models (LLMs) has motivated a growing interest in their capacity for processing dynamic graphs. Temporal motifs, as an elementary unit and important local property of dynamic graphs which can directly reflect anomalies and unique phenomena, are essential for understanding their evolutionary dynamics and structural features. However, leveraging LLMs for temporal motif analysis on dynamic graphs remains relatively unexplored. In this paper, we systematically study LLM performance on temporal motif-related tasks. Specifically, we propose a comprehensive benchmark, LLMTM (Large Language Models in Temporal Motifs), which includes six tailored tasks across nine temporal motif types. We then conduct extensive experiments to analyze the impacts of different prompting techniques and LLMs (including nine models: openPangu-7B, the DeepSeek-R1-Distill-Qwen series, Qwen2.5-32B-Instruct, GPT-4o-mini, DeepSeek-R1, and o3) on model performance. Informed by our benchmark findings, we develop a tool-augmented LLM agent that leverages precisely engineered prompts to solve these tasks with high accuracy. Nevertheless, the high accuracy of the agent incurs a substantial cost. To address this trade-off, we propose a simple yet effective structure-aware dispatcher that considers both the dynamic graph's structural properties and the LLM's cognitive load to intelligently dispatch queries between the standard LLM prompting and the more powerful agent. Our experiments demonstrate that the structure-aware dispatcher effectively maintains high accuracy while reducing cost.
Authors: Abdel Djalil Sad Saoud, Fred Maurice Ngol\`e Mboula, Hanane Slimani
Abstract: Distributional shifts between training and inference time data remain a central challenge in machine learning, often leading to poor performance. It motivated the study of principled approaches for domain alignment, such as optimal transport based unsupervised domain adaptation, that relies on approximating Monge map using transport plans, which is sensitive to the transport problem regularization strategy and hyperparameters, and might yield biased domains alignment. In this work, we propose to interpret smoothed transport plans as adjacency matrices of bipartite graphs connecting source to target domain and derive domain-invariant samples' representations through spectral embedding. We evaluate our approach on acoustic adaptation benchmarks for music genre recognition, music-speech discrimination, as well as electrical cable defect detection and classification tasks using time domain reflection in different diagnosis settings, achieving overall strong performances.
Authors: Jathurshan Pradeepkumar, Zheng Chen, Jimeng Sun
Abstract: Generating clinical reports that summarize abnormal patterns, diagnostic findings, and clinical interpretations from long-term EEG recordings remains labor-intensive. We curate a large-scale clinical EEG dataset with $9{,}922$ reports paired with approximately $11{,}000$ hours of EEG recordings from $9{,}048$ patients. We therefore develop CELM, the first clinical EEG-to-Language foundation model capable of summarizing long-duration, variable-length EEG recordings and performing end-to-end clinical report generation at multiple scales, including recording description, background activity, epileptiform abnormalities, events/seizures, and impressions. Experimental results show that, with patient history supervision, our method achieves $70\%$-$95\%$ average relative improvements in standard generation metrics (e.g., ROUGE-1 and METEOR) from $0.2$-$0.3$ to $0.4$-$0.6$. In the zero-shot setting without patient history, CELM attains generation scores in the range of $0.43$-$0.52$, compared to baselines of $0.17$-$0.26$. CELM integrates pretrained EEG foundation models with language models to enable scalable multimodal learning. We release our model and benchmark construction pipeline at https://github.com/Jathurshan0330/CELM.
Authors: Chenghua Zhu, Siyan Wu, Xiangkang Zeng, Zishan Xu, Zhaolu Kang, Yifu Guo, Yuquan Lu, Junduan Huang, Guojing Zhou
Abstract: Entropy-based confidence signals are increasingly leveraged to improve reasoning in large language models (LLMs), yet existing approaches treat confidence as a static quantity -- typically aggregated over tokens. We show that the \emph{temporal evolution} of confidence during generation carries richer information than aggregate statistics alone. Analyzing token-level entropy trajectories, we identify characteristic patterns distinguishing correct from incorrect reasoning: erroneous solutions exhibit unstable dynamics, including burst spikes (sustained uncertainty growth) and peak-valley spikes (sharp rebounds following transient confidence). These patterns persist across models and training stages, suggesting they reflect intrinsic properties of reasoning failure rather than superficial noise. To formalize this observation, we introduce the Entropy Dynamics Instability Score (\textbf{EDIS}), a trajectory-level metric quantifying instability in entropy evolution. EDIS serves as an effective diagnostic signal for inference-time selection, substantially improving reasoning accuracy, and offers a promising direction for training-time sample curation. Our findings establish entropy dynamics as an underexplored yet informative lens for understanding and improving LLM reasoning.
Authors: Oliver Daniels, Perusha Moodley, Benjamin M. Marlin, David Lindner
Abstract: Alignment audits aim to robustly identify hidden goals from strategic, situationally aware misaligned models. Despite this threat model, existing auditing methods have not been systematically stress-tested against deception strategies. We address this gap, implementing an automatic red-team pipeline that generates deception strategies (in the form of system prompts) tailored to specific white-box and black-box auditing methods. Stress-testing assistant prefills, user persona sampling, sparse autoencoders, and token embedding similarity methods against secret-keeping model organisms, our automatic red-team pipeline finds prompts that deceive both the black-box and white-box methods into confident, incorrect guesses. Our results provide the first documented evidence of activation-based strategic deception, and suggest that current black-box and white-box methods would not be robust to a sufficiently capable misaligned model.
Authors: Hanchen Xia, Baoyou Chen, Zelin Zang, Yutang Ge, Guojiang Zhao, Siyu Zhu
Abstract: We propose LaPha, a method for training AlphaZero-like LLM agents in a Poincar\'e latent space. Under LaPha, the search process can be visualized as a tree rooted at the prompt and growing outward from the origin toward the boundary of the Poincar\'e ball, where negative curvature provides exponentially increasing capacity with radius. Using hyperbolic geodesic distance to rule-verified correctness, we define a node potential and assign dense process rewards by potential differences. We further attach a lightweight value head on the same shared latent space, enabling self-guided test-time scaling with almost no additional overhead. On MATH-500, LaPha improves Qwen2.5-Math-1.5B from 66.0% to 88.2%. With value-head-guided search, LaPha-1.5B reaches 56.7% accuracy on AIME'24, and LaPha-7B further achieves 60.0% on AIME'24 and 53.3% on AIME'25.
Authors: Tony Feng, Trieu H. Trinh, Garrett Bingham, Dawsen Hwang, Yuri Chervonyi, Junehyuk Jung, Joonkyung Lee, Carlo Pagano, Sang-hyun Kim, Federico Pasqualotto, Sergei Gukov, Jonathan N. Lee, Junsu Kim, Kaiying Hou, Golnaz Ghiasi, Yi Tay, YaGuang Li, Chenkai Kuang, Yuan Liu, Hanzhao Lin, Evan Zheran Liu, Nigamaa Nayakanti, Xiaomeng Yang, Heng-Tze Cheng, Demis Hassabis, Koray Kavukcuoglu, Quoc V. Le, Thang Luong
Abstract: Recent advances in foundational models have yielded reasoning systems capable of achieving a gold-medal standard at the International Mathematical Olympiad. The transition from competition-level problem-solving to professional research, however, requires navigating vast literature and constructing long-horizon proofs. In this work, we introduce Aletheia, a math research agent that iteratively generates, verifies, and revises solutions end-to-end in natural language. Specifically, Aletheia is powered by an advanced version of Gemini Deep Think for challenging reasoning problems, a novel inference-time scaling law that extends beyond Olympiad-level problems, and intensive tool use to navigate the complexities of mathematical research. We demonstrate the capability of Aletheia from Olympiad problems to PhD-level exercises and most notably, through several distinct milestones in AI-assisted mathematics research: (a) a research paper (Feng26) generated by AI without any human intervention in calculating certain structure constants in arithmetic geometry called eigenweights; (b) a research paper (LeeSeo26) demonstrating human-AI collaboration in proving bounds on systems of interacting particles called independent sets; and (c) an extensive semi-autonomous evaluation (Feng et al., 2026a) of 700 open problems on Bloom's Erdos Conjectures database, including autonomous solutions to four open questions. In order to help the public better understand the developments pertaining to AI and mathematics, we suggest quantifying standard levels of autonomy and novelty of AI-assisted results, as well as propose a novel concept of human-AI interaction cards for transparency. We conclude with reflections on human-AI collaboration in mathematics and share all prompts as well as model outputs at https://github.com/google-deepmind/superhuman/tree/main/aletheia.
URLs: https://github.com/google-deepmind/superhuman/tree/main/aletheia.
Authors: Victoria Hankemeier, Malte Schilling
Abstract: Spatio-temporal models analyze spatial structures and temporal dynamics, which makes them prone to information degeneration among space and time. Prior literature has demonstrated that over-squashing in causal attention or temporal convolutions creates a bias on the first tokens. To analyze whether such a bias is present in temporal attention mechanisms, we derive sensitivity bounds on the expected value of the Jacobian of a temporal attention layer. We theoretically show how off-diagonal attention scores depend on the sequence length, and that temporal attention matrices suffer a diagonal attention sink. We suggest regularization methods, and experimentally demonstrate their effectiveness.
Authors: Adolfo Gonz\'alez, V\'ictor Parada
Abstract: Business environments characterized by structural demand intermittency, high variability, and multi-step planning horizons require robust and reproducible model selection mechanisms. Empirical evidence shows that no forecasting model is universally dominant and that relative rankings vary across error metrics, demand regimes, and forecast horizons, generating ambiguity in multi-SKU decision contexts. This study proposes AHSIV (Adaptive Hybrid Selector for Intermittency and Variability), a horizon-aware and regime-conditioned model selection framework designed to address horizon-induced ranking instability. The proposed approach integrates scaled and absolute error metrics adjusted through a Metric Degradation by Forecast Horizon (MDFH) procedure, structural demand classification, multi-objective Pareto dominance, and hierarchical bias refinement within a unified decision architecture. The empirical evaluation is conducted on the Walmart, M3, M4, and M5 datasets under multiple train-test partition schemes and twelve-step forecasting horizons. Results indicate that AHSIV achieves statistical equivalence with the strongest monometric baseline in terms of aggregated performance while increasing the frequency of horizon-specific best-model selection. The findings demonstrate that model selection in heterogeneous demand environments cannot be treated as a static ranking problem, and that horizon-consistent, structurally adaptive mechanisms provide a principled, operationally coherent solution for multi-SKU forecasting.
Authors: Cheng Zeng, Harry W. Sullivan, Thomas Egg, Maya M. Martirossyan, Philipp H\"ollmer, Jirui Jin, Richard G. Hennig, Adrian Roitberg, Stefano Martiniani, Ellad B. Tadmor, Mingjie Liu
Abstract: Molecular crystal structure prediction represents a grand challenge in computational chemistry due to large sizes of constituent molecules and complex intra- and intermolecular interactions. While generative modeling has revolutionized structure discovery for molecules, inorganic solids, and metal-organic frameworks, extending such approaches to fully periodic molecular crystals is still elusive. Here, we present MolCrystalFlow, a flow-based generative model for molecular crystal structure prediction. The framework disentangles intramolecular complexity from intermolecular packing by embedding molecules as rigid bodies and jointly learning the lattice matrix, molecular orientations, and centroid positions. Centroids and orientations are represented on their native Riemannian manifolds, allowing geodesic flow construction and graph neural network operations that respects geometric symmetries. We benchmark our model against state-of-the-art generative models for large-size periodic crystals and rule-based structure generation methods on two open-source molecular crystal datasets. We demonstrate an integration of MolCrystalFlow model with universal machine learning potential to accelerate molecular crystal structure prediction, paving the way for data-driven generative discovery of molecular crystals.
Authors: Chuiyang Meng, Ming Tang, Vincent W. S. Wong
Abstract: Parameter-efficient fine-tuning techniques such as low-rank adaptation (LoRA) enable large language models (LLMs) to adapt to downstream tasks efficiently. Federated learning (FL) further facilitates this process by enabling collaborative fine-tuning across distributed clients without sharing private data. However, the use of two separate low-rank matrices in LoRA for federated fine-tuning introduces two types of challenges. First, aggregation error can arise from separately aggregating the two low-rank matrices. Second, even if the server aggregates the product of two low-rank matrices, it needs to decompose the aggregated matrix back into low-rank matrices. Since the decomposition is not unique, it can lead to decomposition drift. To tackle the aforementioned challenges, we propose federated low-rank Gram-matrix aggregation (FLoRG), a federated fine-tuning framework which employs a single low-rank matrix for fine-tuning and aggregates its Gram matrix (i.e., the matrix of inner products of its column vectors). FLoRG can eliminate the aggregation error and reduce the communication overhead. It also minimizes the decomposition drift by introducing a Procrustes alignment approach which aligns the decomposed matrix between consecutive fine-tuning rounds for consistent updates. We theoretically analyze the convergence of FLoRG and prove that adopting the Procrustes alignment results in a tighter convergence bound. Experimental results across multiple LLM fine-tuning benchmarks demonstrate that FLoRG outperforms five state-of-the-art baseline schemes by providing higher downstream task accuracy and can reduce the communication overhead by up to 2041$\times$.
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: Zeyuan Liu, Jeonghye Kim, Xufang Luo, Dongsheng Li, Yuqing Yang
Abstract: Exploration remains the key bottleneck for large language model agents trained with reinforcement learning. While prior methods exploit pretrained knowledge, they fail in environments requiring the discovery of novel states. We propose Exploratory Memory-Augmented On- and Off-Policy Optimization (EMPO$^2$), a hybrid RL framework that leverages memory for exploration and combines on- and off-policy updates to make LLMs perform well with memory while also ensuring robustness without it. On ScienceWorld and WebShop, EMPO$^2$ achieves 128.6% and 11.3% improvements over GRPO, respectively. Moreover, in out-of-distribution tests, EMPO$^2$ demonstrates superior adaptability to new tasks, requiring only a few trials with memory and no parameter updates. These results highlight EMPO$^2$ as a promising framework for building more exploratory and generalizable LLM-based agents.
Authors: Yijiashun Qi, Yijiazhen Qi, Tanmay Wagh
Abstract: Identifying the full landscape of small and medium-sized enterprises (SMEs) in specialized industry sectors is critical for supply-chain resilience, yet existing business databases suffer from substantial coverage gaps -- particularly for sub-tier suppliers and firms in emerging niche markets. We propose a \textbf{Web--Knowledge--Web (W$\to$K$\to$W)} pipeline that iteratively (1)~crawls domain-specific web sources to discover candidate supplier entities, (2)~extracts and consolidates structured knowledge into a heterogeneous knowledge graph using domain-adapted few-shot LLM prompting, and (3)~uses the knowledge graph's topology and coverage signals to guide subsequent crawling toward under-represented regions of the supplier space. To quantify discovery completeness, we introduce a \textbf{coverage estimation framework} inspired by ecological species-richness estimators (Chao1, ACE) adapted for web-entity populations. Experiments on the semiconductor equipment manufacturing sector (NAICS 333242) demonstrate that the W$\to$K$\to$W pipeline achieves the highest precision (0.165) and F1 (0.123) among all methods while using only 144 pages -- 32\% fewer than the 213-page baseline budget -- building a knowledge graph of 664 entities and 542 relations with 100\% relation type-consistency.
Authors: Dyah Adila, John Cooper, Alexander Yun, Avi Trost, Frederic Sala
Abstract: Activation steering promises to be an extremely parameter-efficient form of adaptation, but its effectiveness depends on critical design choices -- such as intervention location and parameterization -- that currently rely on empirical heuristics rather than a principled foundation. We establish a first-order equivalence between activation-space interventions and weight-space updates, deriving the conditions under which activation steering can replicate fine-tuning behavior. This equivalence yields a principled framework for steering design and identifies the post-block output as a theoretically-backed and highly expressive intervention site. We further explain why certain intervention locations outperform others and show that weight updates and activation updates play distinct, complementary functional roles. This analysis motivates a new approach -- joint adaptation -- that trains in both spaces simultaneously. Our post-block steering achieves accuracy within 0.2%-0.9%$ of full-parameter tuning, on average across tasks and models, while training only 0.04% of model parameters. It consistently outperforms prior activation steering methods such as ReFT and PEFT approaches including LoRA, while using significantly fewer parameters. Finally, we show that joint adaptation often surpasses the performance ceilings of weight and activation updates in isolation, introducing a new paradigm for efficient model adaptation.
Authors: Yuanchang Zhou, Siyu Hu, Xiangyu Zhang, Hongyu Wang, Guangming Tan, Weile Jia
Abstract: Foundation MLIPs demonstrate broad applicability across diverse material systems and have emerged as a powerful and transformative paradigm in chemical and computational materials science. Equivariant MLIPs achieve state-of-the-art accuracy in a wide range of benchmarks by incorporating equivariant inductive bias. However, the reliance on tensor products and high-degree representations makes them computationally costly. This raises a fundamental question: as quantum mechanical-based datasets continue to expand, can we develop a more compact model to thoroughly exploit high-dimensional atomic interactions? In this work, we present MatRIS (\textbf{Mat}erials \textbf{R}epresentation and \textbf{I}nteraction \textbf{S}imulation), an invariant MLIP that introduces attention-based modeling of three-body interactions. MatRIS leverages a novel separable attention mechanism with linear complexity $O(N)$, enabling both scalability and expressiveness. MatRIS delivers accuracy comparable to that of leading equivariant models on a wide range of popular benchmarks (Matbench-Discovery, MatPES, MDR phonon, Molecular dataset, etc). Taking Matbench-Discovery as an example, MatRIS achieves an F1 score of up to 0.847 and attains comparable accuracy at a lower training cost. The work indicates that our carefully designed invariant models can match or exceed the accuracy of equivariant models at a fraction of the cost, shedding light on the development of accurate and efficient MLIPs.
Authors: Zhanghan Ni, Yanjing Li, Zeju Qiu, Bernhard Sch\"olkopf, Hongyu Guo, Weiyang Liu, Shengchao Liu
Abstract: Generative models have recently advanced $\textit{de novo}$ protein design by learning the statistical regularities of natural structures. However, current approaches face three key limitations: (1) Existing methods cannot jointly learn protein geometry and design tasks, where pretraining can be a solution; (2) Current pretraining methods mostly rely on local, non-rigid atomic representations for property prediction downstream tasks, limiting global geometric understanding for protein generation tasks; and (3) Existing approaches have yet to effectively model the rich dynamic and conformational information of protein structures. To overcome these issues, we introduce $\textbf{RigidSSL}$ ($\textit{Rigidity-Aware Self-Supervised Learning}$), a geometric pretraining framework that front-loads geometry learning prior to generative finetuning. Phase I (RigidSSL-Perturb) learns geometric priors from 432K structures from the AlphaFold Protein Structure Database with simulated perturbations. Phase II (RigidSSL-MD) refines these representations on 1.3K molecular dynamics trajectories to capture physically realistic transitions. Underpinning both phases is a bi-directional, rigidity-aware flow matching objective that jointly optimizes translational and rotational dynamics to maximize mutual information between conformations. Empirically, RigidSSL variants improve designability by up to 43% while enhancing novelty and diversity in unconditional generation. Furthermore, RigidSSL-Perturb improves the success rate by 5.8% in zero-shot motif scaffolding and RigidSSL-MD captures more biophysically realistic conformational ensembles in G protein-coupled receptor modeling.
Authors: Han Xiao
Abstract: mlx-vis is a Python library that implements six dimensionality reduction methods and a k-nearest neighbor graph algorithm entirely in MLX, Apple's array framework for Apple Silicon. The library provides UMAP, t-SNE, PaCMAP, TriMap, DREAMS, CNE, and NNDescent, all executing on Metal GPU through a unified fit_transform interface. Beyond embedding computation, mlx-vis includes a GPU-accelerated circle-splatting renderer that produces scatter plots and smooth animations without matplotlib, composing frames via scatter-add alpha blending on GPU and piping them to hardware H.264 encoding. On Fashion-MNIST with 70,000 points, all methods complete embedding in 2.1-3.8 seconds and render 800-frame animations in 1.4 seconds on an M3 Ultra, with the full pipeline from raw data to rendered video finishing in 3.6-5.2 seconds. The library depends only on MLX and NumPy, is released under the Apache 2.0 license, and is available at https://github.com/hanxiao/mlx-vis.
Authors: Bumsoo Kim, Wonseop Shin, Kyuchul Lee, Yonghoon Jung, Sanghyun Seo
Abstract: Leveraging large-scale Text-to-Image (TTI) models have become a common technique for generating exemplar or training dataset in the fields of image synthesis, video editing, 3D reconstruction. However, semantic structural visual hallucinations involving perceptually severe defects remain a concern, especially in the domain of non-photorealistic rendering (NPR) such as cartoons and pixelization-style character. To detect these hallucinations in NPR, We propose a novel semantic structural hallucination detection system using Vision-Language Model (VLM). Our approach is to leverage the emerging capability of large language model, in-context learning which denotes that VLM has seen some examples by user for specific downstream task, here hallucination detection. Based on in-context learning, we introduce pose-aware in-context visual learning (PA-ICVL) which improve the overall performance of VLM by further inputting visual data beyond prompts, RGB images and pose information. By incorporating pose guidance, we enable VLMs to make more accurate decisions. Experimental results demonstrate significant improvements in identifying visual hallucinations compared to baseline methods relying solely on RGB images. Within selected two VLMs, GPT-4v, Gemini pro vision, our proposed PA-ICVL improves the hallucination detection with 50% to 78%, 57% to 80%, respectively. This research advances a capability of TTI models toward real-world applications by mitigating visual hallucinations via in-context visual learning, expanding their potential in non-photorealistic domains. In addition, it showcase how users can boost the downstream-specialized capability of open VLM by harnessing additional conditions. We collect synthetic cartoon-hallucination dataset with TTI models, this dataset and final tuned VLM will be publicly available.
Authors: Joongwon Lee, Wonho Zhung, Jisu Seo, Woo Youn Kim
Abstract: Recent remarkable advancements in geometric deep generative models, coupled with accumulated structural data, enable structure-based drug design (SBDD) using only target protein information. However, existing models often struggle to balance multiple objectives, excelling only in specific tasks. BInD, a diffusion model with knowledge-based guidance, is introduced to address this limitation by co-generating molecules and their interactions with a target protein. This approach ensures balanced consideration of key objectives, including target-specific interactions, molecular properties, and local geometry. Comprehensive evaluations demonstrate that BInD achieves robust performance across all objectives, matching or surpassing state-of-the-art methods. Additionally, an NCI-driven molecule design and optimization method is proposed, enabling the enhancement of target binding and specificity by elaborating the adequate interaction patterns.
Authors: Xabier E. Barandiaran, Lola S. Almendros
Abstract: This paper investigates the ontological characterization of Large Language Models (LLMs) like ChatGPT. Between inflationary and deflationary accounts, we pay special attention to their status as agents. This requires explaining in detail the architecture, processing, and training procedures that enable LLMs to display their capacities, and the extensions used to turn LLMs into agent-like systems. After a systematic analysis we conclude that a LLM fails to meet necessary and sufficient conditions for autonomous agency in the light of embodied theories of mind: the individuality condition (it is not the product of its own activity, it is not even directly affected by it), the normativity condition (it does not generate its own norms or goals), and, partially the interactional asymmetry condition (it is not the origin and sustained source of its interaction with the environment). If not agents, then ... what are LLMs? We argue that ChatGPT should be characterized as an interlocutor or linguistic automaton, a library-that-talks, devoid of (autonomous) agency, but capable to engage performatively on non-purposeful yet purpose-structured and purpose-bounded tasks. When interacting with humans, a "ghostly" component of the human-machine interaction makes it possible to enact genuine conversational experiences with LLMs. Despite their lack of sensorimotor and biological embodiment, LLMs textual embodiment (the training corpus) and resource-hungry computational embodiment, significantly transform existing forms of human agency. Beyond assisted and extended agency, the LLM-human coupling can produce midtended forms of agency, closer to the production of intentional agency than to the extended instrumentality of any previous technologies.
Authors: Ruiqi Xian, Xiyang Wu, Tianrui Guan, Xijun Wang, Boqing Gong, Dinesh Manocha
Abstract: We introduce FALCON, a unified self-supervised video pretraining approach for UAV action recognition from raw RGB aerial footage, requiring no additional preprocessing at inference. UAV videos exhibit severe spatial imbalance: large, cluttered backgrounds dominate the field of view, causing reconstruction-based pretraining to waste capacity on uninformative regions and under-learn action-relevant human/object cues. FALCON addresses this by integrating object-aware masked autoencoding with object-centric dual-horizon future reconstruction. Using detections only during pretraining, we construct objectness priors that (i) enforce balanced token visibility during masking and (ii) concentrate reconstruction supervision on action-relevant regions, preventing learning from being dominated by background appearance. To promote temporal dynamics learning, we further reconstruct short- and long-horizon future content within an object-centric supervision region, injecting anticipatory temporal supervision that is robust to noisy aerial context. Across UAV benchmarks, FALCON improves top-1 accuracy by 2.9\% on NEC-Drone and 5.8\% on UAV-Human with a ViT-B backbone, while achieving 2$\times$--5$\times$ faster inference than supervised approaches that rely on heavy test-time augmentation.
Authors: Mingwei Wang, Junheng Peng, Yingtian Liu, Yong Li
Abstract: Seismic exploration remains the most critical method for characterizing subsurface structures in geophysics. However, complex surface conditions often cause a non-uniform distribution of seismic receivers along survey lines, leading to irregularly acquired seismic data, which affects subsequent processing and inversion. Prior deep learning-based seismic data reconstruction methods typically rely on datasets for supervised training. While some existing methods avoid extra data, they lack effective constraints on reconstructed data, leading to unstable performance. In this study, we propose a self-supervised self-consistency learning strategy with a lightweight network for seismic data reconstruction. Our method requires no extra datasets, and it leverages inter-component correlations in seismic data to design a loss function, optimizing a network with only 188,849 learnable parameters. Validated on two public seismic datasets, results demonstrate our approach yields high-quality reconstruction, providing significant value for large-scale and complex seismic exploration tasks.
Authors: Steffen Eger, Yong Cao, Jennifer D'Souza, Andreas Geiger, Christian Greisinger, Stephanie Gross, Yufang Hou, Brigitte Krenn, Anne Lauscher, Yizhi Li, Chenghua Lin, Nafise Sadat Moosavi, Wei Zhao, Tristan Miller
Abstract: With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. An emerging ecosystem of models and tools aims to support researchers throughout the scientific lifecycle, including (1) searching for relevant literature, (2) generating research ideas and conducting experiments, (3) producing text-based content, (4) creating multimodal artifacts such as figures and diagrams, and (5) evaluating scientific work, as in peer review. In this survey, we provide a curated overview of literature representative of the core techniques, evaluation practices, and emerging trends in AI-assisted scientific discovery. Across the five tasks outlined above, we discuss datasets, methods, results, evaluation strategies, limitations, and ethical concerns, including risks to research integrity through the misuse of generative models. We aim for this survey to serve both as an accessible, structured orientation for newcomers to the field, as well as a catalyst for new AI-based initiatives and their integration into future ``AI4Science'' systems.
Authors: Pouya Kananian, Hans-Arno Jacobsen
Abstract: Adversarial robustness in quantum classifiers is a critical area of study, providing insights into their performance compared to classical models and uncovering potential advantages inherent to quantum machine learning. In the NISQ era of quantum computing, circuit cutting is a notable technique for simulating circuits that exceed the qubit limitations of current devices, enabling the distribution of a quantum circuit's execution across multiple quantum processing units through classical communication. In contrast, when quantum communication is available, teleportation-based methods can be used to support the distribution of the quantum circuit. We study the robustness of partitioned quantum classifiers to adversarial perturbations targeting wire cutting or quantum state teleportation and show a link between such perturbations and implementing adversarial gates within intermediate layers of a quantum classifier. We then proceed to study the latter problem from both a theoretical and experimental perspective.
Authors: Michelle L. Ding, Harini Suresh
Abstract: In this paper, we adopt a survivor-centered approach to locate and dissect the role of sociotechnical AI governance in preventing AI-Generated Non-Consensual Intimate Images (AIG-NCII) of adults, colloquially known as "deep fake pornography." We identify a "malicious technical ecosystem" or "MTE," comprising of open-source face-swapping models and nearly 200 "nudifying" software programs that allow non-technical users to create AIG-NCII within minutes. Then, using the National Institute of Standards and Technology (NIST) AI 100-4 report as a reflection of current synthetic content governance methods, we show how the current landscape of practices fails to effectively regulate the MTE for adult AIG-NCII, as well as flawed assumptions explaining these gaps.
Authors: Xiusi Chen, Gaotang Li, Ziqi Wang, Bowen Jin, Cheng Qian, Yu Wang, Hongru Wang, Yu Zhang, Denghui Zhang, Tong Zhang, Hanghang Tong, Heng Ji
Abstract: Reward modeling is essential for aligning large language models with human preferences through reinforcement learning. To provide accurate reward signals, a reward model (RM) should stimulate deep thinking and conduct interpretable reasoning before assigning a score or a judgment. Inspired by recent advances of long chain-of-thought on reasoning-intensive tasks, we hypothesize and validate that integrating reasoning into reward modeling significantly enhances RM's interpretability and performance. We introduce a new class of generative reward models, Reasoning Reward Models (ReasRMs), which formulate reward modeling as a reasoning task. We propose a reasoning-oriented training pipeline and train a family of ReasRMs, RM-R1. RM-R1 features a chain-of-rubrics (CoR) mechanism -- self-generating sample-level chat rubrics or math/code solutions, and evaluating candidate responses against them. The training of RM-R1 consists of two key stages: (1) distillation of high-quality reasoning chains and (2) reinforcement learning with verifiable rewards. Empirically, our models achieve superior performance across three reward model benchmarks on average, outperforming much larger open-weight models (e.g., INF-ORM-Llama3.1-70B) and proprietary ones (e.g., GPT-4o) by up to 4.9%. Beyond final performance, we perform thorough analyses to understand the key ingredients of successful ReasRM training.
Authors: Yura Malitsky, Alexander Posch
Abstract: This paper focuses on applying entropic mirror descent to solve linear systems, where the main challenge for the convergence analysis stems from the unboundedness of the domain. To overcome this without imposing restrictive assumptions, we introduce a variant of Polyak-type stepsizes. Along the way, we strengthen the bound for $\ell_1$-norm implicit bias, obtain sublinear and linear convergence results, and generalize the convergence result to arbitrary convex $L$-smooth functions. We also propose an alternative method that avoids exponentiation, resembling the original Hadamard descent, but with provable convergence.
Authors: Robert Graham, Edward Stevinson, Leo Richter, Alexander Chia, Joseph Miller, Joseph Isaac Bloom
Abstract: Identifying inputs that trigger specific behaviours or latent features in language models could have a wide range of safety use cases. We investigate a class of methods capable of generating targeted, linguistically fluent inputs that activate specific latent features or elicit model behaviours. We formalise this approach as context modification and present ContextBench -- a benchmark with tasks assessing core method capabilities and potential safety applications. Our evaluation framework measures both elicitation strength (activation of latent features or behaviours) and linguistic fluency, highlighting how current state-of-the-art methods struggle to balance these objectives. We enhance Evolutionary Prompt Optimisation (EPO) with LLM-assistance and diffusion model inpainting, and demonstrate that these variants achieve state-of-the-art performance in balancing elicitation effectiveness and fluency.
Authors: Kartik Sharma, Yiqiao Jin, Vineeth Rakesh, Yingtong Dou, Menghai Pan, Mahashweta Das, Srijan Kumar
Abstract: As large language models (LLMs) are deployed in safety-critical settings, it is essential to ensure that their responses comply with safety standards. Prior research has revealed that LLMs often fail to grasp the notion of safe behaviors, resulting in either unjustified refusals to harmless prompts or the generation of harmful content. While substantial efforts have been made to improve their robustness, existing defenses often rely on costly fine-tuning of model parameters or employ suboptimal heuristic techniques. In this work, we take a novel approach to safeguard LLMs by learning to adapt the system prompts in instruction-tuned LLMs. While LLMs are typically pre-trained to follow a fixed system prompt, we investigate the impact of tailoring the system prompt to each specific user input on the safety of the responses. To this end, we propose $\textbf{Sysformer}$, a trans$\textbf{former}$ model that updates an initial $\textbf{sys}$tem prompt to a more robust system prompt in the LLM input embedding space while attending to the user prompt. While keeping the LLM parameters frozen, the Sysformer is trained to refuse to respond to a set of harmful prompts while responding ideally to a set of safe ones. Through extensive experiments on $5$ LLMs from different families and $2$ recent benchmarks, we demonstrate that Sysformer can significantly enhance the robustness of LLMs, leading to upto $80\%$ gain in the refusal rate on harmful prompts while enhancing the compliance with the safe prompts by upto $90\%$. Results also generalize well to sophisticated jailbreaking attacks, making LLMs upto $100\%$ more robust against different attack strategies. We hope our findings lead to cheaper safeguarding of LLMs and motivate future investigations into designing variable system prompts.
Authors: Martine Hjelkrem-Tan, Marius Aasan, Gabriel Y. Arteaga, Ad\'in Ram\'irez Rivera
Abstract: Vision Transformers naturally accommodate sparsity, yet standard tokenization methods confine features to discrete patch grids. This constraint prevents models from fully exploiting sparse regimes, forcing awkward compromises. We propose Subpixel Placement of Tokens (SPoT), a novel tokenization strategy that positions tokens continuously within images, effectively sidestepping grid-based limitations. With our proposed oracle-guided search, we uncover substantial performance gains achievable with ideal subpixel token positioning, drastically reducing the number of tokens necessary for accurate predictions during inference. SPoT provides a new direction for flexible, efficient, and interpretable ViT architectures, redefining sparsity as a strategic advantage rather than an imposed limitation.
Authors: Jiarui Li, Zixiang Yin, Haley Smith, Zhengming Ding, Samuel J. Landry, Ramgopal R. Mettu
Abstract: CD8+ "killer" T cells and CD4+ "helper" T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T cells and the pMHC complex is fundamental to understanding basic mechanisms of human immune response as well as in developing therapies. While transformer-based models such as TULIP have achieved impressive performance in this domain, their black-box nature precludes interpretability and thus limits a deeper mechanistic understanding of T cell response. Most existing post-hoc explainable AI (XAI) methods are confined to encoder-only, co-attention, or model-specific architectures and cannot handle encoder-decoder transformers used in TCR-pMHC modeling. To address this gap, we propose Quantifying Cross-Attention Interaction (QCAI), a new post-hoc method designed to interpret the cross-attention mechanisms in transformer decoders. Quantitative evaluation is a challenge for XAI methods; we have compiled TCR-XAI, a benchmark consisting of 274 experimentally determined TCR-pMHC structures to serve as ground truth for binding. Using these structures we compute physical distances between relevant amino acid residues in the TCR-pMHC interaction region and evaluate how well our method and others estimate the importance of residues in this region across the dataset. We show that QCAI achieves state-of-the-art performance on both interpretability and prediction accuracy under the TCR-XAI benchmark.
Authors: Ahmed Abouelazm, Johannes Ratz, Philip Sch\"orner, J. Marius Z\"ollner
Abstract: Autonomous driving faces challenges in navigating complex real-world traffic, requiring safe handling of both common and critical scenarios. Reinforcement learning (RL), a prominent method in end-to-end driving, enables agents to learn through trial and error in simulation. However, RL training often relies on rule-based traffic scenarios, limiting generalization. Additionally, current scenario generation methods focus heavily on critical scenarios, neglecting a balance with routine driving behaviors. Curriculum learning, which progressively trains agents on increasingly complex tasks, is a promising approach to improving the robustness and coverage of RL driving policies. However, existing research mainly emphasizes manually designed curricula, focusing on scenery and actor placement rather than traffic behavior dynamics. This work introduces a novel student-teacher framework for automatic curriculum learning. The teacher, a graph-based multi-agent RL component, adaptively generates traffic behaviors across diverse difficulty levels. An adaptive mechanism adjusts task difficulty based on student performance, ensuring exposure to behaviors ranging from common to critical. The student, though exchangeable, is realized as a deep RL agent with partial observability, reflecting real-world perception constraints. Results demonstrate the teacher's ability to generate diverse traffic behaviors. The student, trained with automatic curricula, outperformed agents trained on rule-based traffic, achieving higher rewards and exhibiting balanced, assertive driving.
Authors: Stanislas Ducotterd, Michael Unser
Abstract: We introduce the multivariate fields of experts, a new framework for the learning of image priors. Our model generalizes existing fields of experts methods by incorporating multivariate potential functions constructed via Moreau envelopes of the $\ell_\infty$-norm. We demonstrate the effectiveness of our proposal across a range of inverse problems that include image denoising, deblurring, compressed-sensing magnetic-resonance imaging, and computed tomography. The proposed approach outperforms comparable univariate models and achieves performance close to that of deep-learning-based regularizers while being significantly faster, requiring fewer parameters, and being trained on substantially fewer data. In addition, our model retains a high level of interpretability due to its structured design. It is supported by theoretical convergence guarantees which ensure reliability in sensitive reconstruction tasks.
Authors: M. Hadi Sepanj, Benyamin Ghojogh, Saed Moradi, Paul Fieguth
Abstract: Self-supervised learning (SSL) has emerged as a powerful paradigm for representation learning by optimizing geometric objectives, such as invariance to augmentations, variance preservation, and feature decorrelation, without requiring labels. However, most existing methods operate in Euclidean space, limiting their ability to capture nonlinear dependencies and geometric structures. In this work, we propose Kernel VICReg, a novel self-supervised learning framework that pulls the VICReg objective into a Reproducing Kernel Hilbert Space (RKHS). By kernelizing each term of the loss, variance, invariance, and covariance, we obtain a general formulation that operates on double-centered kernel matrices and Hilbert--Schmidt norms, enabling nonlinear feature learning without explicit mappings. We demonstrate that Kernel VICReg mitigates the risk of representational collapse under challenging conditions and improves performance on datasets exhibiting nonlinear structure or limited sample regimes. Empirical evaluations across MNIST, CIFAR-10, STL-10, TinyImageNet, and ImageNet100 show consistent gains over Euclidean VICReg, with particularly strong improvements on datasets where nonlinear structures are prominent. UMAP visualizations are provided only as a qualitative illustration of embedding geometry and are not used as a calibration or statistical validation. Our results suggest that kernelizing SSL objectives is a promising direction for bridging classical kernel methods with modern representation learning.
Authors: Amanuel Anteneh
Abstract: We show that ensembles of deep neural networks, called deep ensembles, can be used to perform quantum parameter estimation while also providing a means for quantifying uncertainty in parameter estimates, which is a key advantage of using Bayesian inference for parameter estimation that is lost when using existing machine learning methods. We show that optimizing for both accurate parameter estimates and well calibrated uncertainty estimates does not lead to degradation in the former as opposed to only optimizing for accuracy. We also show that the drift detection capabilities of these ensemble models can be used to detect drift in the experimental data used during inference. This approach is also shown to provide much faster inference time than both likelihood-based and likelihood-free Bayesian inference. These results suggest that such models could enable accurate, real-time parameter estimation with quantified uncertainty, making them promising candidates for deployment in experimental settings.
Authors: Hansol Lim, Minhyeok Im, Jonathan Boyack, Jee Won Lee, Jongseong Brad Choi
Abstract: We present VEGA, a vehicle-adaptive energy-aware routing system for electric vehicles (EVs) that integrates physics-informed parameter estimation with RL-based charge-aware path planning. VEGA consists of two copupled modules: (1) a physics-informed neural operator (PINO) that estimates vehicle-specific physical parameters-drag, rolling resistance, mass, motor and regenerative-braking efficiencies, and auxiliary load-from short windows of onboard speed and acceleration data; (2) a Proximal Policy Optimization (PPO) agent that navigates a charger-annotated road graph, jointly selecting routes and charging stops under state-of-charge constraints. The agent is initialized via behavior cloning from an A* teacher and fine-tuned with cirriculum-guided PPO on the full U.S. highway network with Tesla Supercharger locations. On a cross-country San Francisco-to-New York route (~4,860km), VEGA produces a feasible 20-stop plan with 56.12h total trip time and minimum SoC 11.41%. Against the controlled Energy-aware A* baseline, the distance and driving-time gaps are small (-8.49km and +0.37h), while inference is >20x faster. The learned policy generalizes without retraining to road networks in France and Japan.
Authors: Zemin Xu, Wenbo Xie, P. Hu
Abstract: Equivariant atomistic machine learning models have largely been built on spherical-tensor representations, where explicit angular-momentum coupling introduces substantial complexity and systematic extensions beyond energies and forces remain challenging, often requires problem-specific architectural choices. Here we introduce the Tensor Atomic Cluster Expansion (TACE), which unifies scalar and tensorial modeling in Cartesian and space by decomposing local environments into irreducible Cartesian tensors (ICT) constructing a controlled many-body hierarchy with atomic cluster expansion (ACE). In addition to performing ACE in the frequency domain, we propose an efficient Clebsch-Gordan-free alternative in the spatial domain. TACE provides universal invariant (e.g., fidelity tags and charges) and equivariant (e.g., external electric fields and non-collinear magnetic moments) embeddings and predicted tensorial observables are handled on equal footing and enabling explicit control at inference. We demonstrate the accuracy, stability, and efficiency across finite molecules and extended materials, including in-domain and out-of-domain benchmarks, spectra, Hessian, external-field responses, charged systems, and multi-fidelity/head training. We further show its robustness on nonequilibrium/reactive datasets and controlled scaling when extending to large foundation model datasets.
Authors: Luis Augenstein, No\'emie Jaquier, Tamim Asfour, Leonel Rozo
Abstract: Human-like motion generation for robots often draws inspiration from biomechanical studies, which often categorize complex human motions into hierarchical taxonomies. While these taxonomies provide rich structural information about how movements relate to one another, this information is frequently overlooked in motion generation models, leading to a disconnect between the generated motions and their underlying hierarchical structure. This paper introduces the \ac{gphdm}, a novel approach that learns latent representations preserving both the hierarchical structure of motions and their temporal dynamics to ensure physical consistency. Our model achieves this by extending the dynamics prior of the Gaussian Process Dynamical Model (GPDM) to the hyperbolic manifold and integrating it with taxonomy-aware inductive biases. Building on this geometry- and taxonomy-aware frameworks, we propose three novel mechanisms for generating motions that are both taxonomically-structured and physically-consistent: two probabilistic recursive approaches and a method based on pullback-metric geodesics. Experiments on generating realistic motion sequences on the hand grasping taxonomy show that the proposed GPHDM faithfully encodes the underlying taxonomy and temporal dynamics, and it generates novel physically-consistent trajectories.
Authors: Andrew Campbell, Valentin De Bortoli, Jiaxin Shi, Arnaud Doucet
Abstract: We present self-speculative masked diffusions, a new class of masked diffusion generative models for discrete data that require significantly fewer function evaluations to generate samples. Standard masked diffusion models predict factorized logits over currently masked positions. A number of masked positions are then sampled, however, the factorization approximation means that sampling too many positions in one go leads to poor sample quality. As a result, many simulation steps and therefore neural network function evaluations are required to generate high-quality data. We reduce the computational burden by generating non-factorized predictions over masked positions. This is achieved by modifying the final transformer attention mask from non-causal to causal, enabling draft token generation and parallel validation via a novel, model-integrated speculative sampling mechanism. This results in a non-factorized predictive distribution over masked positions in a single forward pass. We apply our method to GPT2 scale text modelling and protein sequence generation, finding that we can achieve a ~2x reduction in the required number of network forward passes relative to standard masked diffusion models.
Authors: Jiarui Li, Zixiang Yin, Zhengming Ding, Samuel J. Landry, Ramgopal R. Mettu
Abstract: T cell receptor (TCR) recognition of peptide-MHC (pMHC) complexes is a central component of adaptive immunity, with implications for vaccine design, cancer immunotherapy, and autoimmune disease. While recent advances in machine learning have improved prediction of TCR-pMHC binding, the most effective approaches are black-box transformer models that cannot provide a rationale for predictions. Post-hoc explanation methods can provide insight with respect to the input but do not explicitly model biochemical mechanisms (e.g. known binding regions), as in TCR-pMHC binding. ``Explain-by-design'' models (i.e., with architectural components that can be examined directly after training) have been explored in other domains, but have not been used for TCR-pMHC binding. We propose explainable model layers (TCR-EML) that can be incorporated into protein-language model backbones for TCR-pMHC modeling. Our approach uses prototype layers for amino acid residue contacts drawn from known TCR-pMHC binding mechanisms, enabling high-quality explanations for predicted TCR-pMHC binding. Experiments of our proposed method on large-scale datasets demonstrate competitive predictive accuracy and generalization, and evaluation on the TCR-XAI benchmark demonstrates improved explainability compared with existing approaches.
Authors: Gregory Yauney, Shahzaib Saqib Warraich, Swabha Swayamdipta
Abstract: Micro-benchmarking offers a solution to the often prohibitive time and cost of language model development: evaluate on a very small subset of existing benchmarks. Can these micro-benchmarks, however, rank models as consistently as the full benchmarks they replace? And can they rank models more consistently than selecting a random subset of data points? In many scenarios, we find that the answer is no. We introduce a meta-evaluation measure for micro-benchmarking which investigates how well a micro-benchmark can rank two models as a function of their performance difference on the full benchmark. This approach can determine which model pairs can be ranked correctly by a micro-benchmark, allowing for a finer-grained analysis of the trade-off between micro-benchmark size and reliability. Prior work has suggested selecting as few as 10 examples; we find that no micro-benchmarking method can consistently rank model pairs 3.5 points of accuracy apart on MMLU-Pro or 4 points apart on BIG-bench Hard. In order to consistently rank model pairs with relatively similar performances, we show that often as many as 250 examples must be selected, at which point random sampling is competitive with existing micro-benchmarking methods. When comparing only 8B instruction-tuned models on MMLU-Pro micro-benchmarks with 25 examples, we find that more than half of pairwise comparisons are not likely to be preserved. Our work provides actionable guidance for both micro-benchmark users and developers in navigating the trade-off between evaluation efficiency and reliability.
Authors: Zian Li, Muhan Zhang
Abstract: Masked autoregressive models (MAR) have emerged as a powerful paradigm for image and video generation, combining the flexibility of masked modeling with the expressiveness of continuous tokenizers. However, when sampling individual frames, video MAR models often produce highly distorted outputs due to the lack of a structured global prior, especially when using only a few sampling steps. To address this, we propose CanvasMAR, a novel autoregressive video prediction model that predicts high-fidelity frames with few sampling steps by introducing a canvas--a blurred, global one-step prediction of the next frame that serves as a non-uniform mask during masked generation. The canvas supplies global structure early in sampling, enabling faster and more coherent frame synthesis. To further stabilize autoregressive sampling, we propose an easy-to-hard curriculum via a motion-aware sampling order that synthesizes relatively stationary regions before attending to highly dynamic ones. We also integrate compositional classifier-free guidance that jointly strengthens the canvas and temporal conditioning to improve generation fidelity. Experiments on the BAIR, UCF-101, and Kinetics-600 benchmarks demonstrate that CanvasMAR produces higher-quality videos with fewer autoregressive steps. On the challenging Kinetics-600 dataset, CanvasMAR achieves remarkable performance among autoregressive models and rivals advanced diffusion-based methods.
Authors: Bingji Yi, Qiyuan Liu, Yuwei Cheng, Haifeng Xu
Abstract: Synthetic data has been increasingly used to train frontier generative models. However, recent studies raise key concerns that iteratively retraining a generative model on its self-generated synthetic data may keep deteriorating model performance, a phenomenon often coined model collapse. In this paper, we investigate ways to modify the synthetic retraining process to avoid model collapse, and even possibly help reverse the trend from collapse to improvement. Our key finding is that by injecting information through an external synthetic data verifier, whether a human or a better model, synthetic retraining will not cause model collapse. Specifically, we situate our theoretical analysis in the fundamental linear regression setting, showing that verifier-guided retraining can yield near-term improvements, but ultimately drives the parameter estimate to the verifier's "knowledge center" in the long run. Our theory further predicts that, unless the verifier is perfectly reliable, these early gains will plateau and may even reverse. Indeed, our experiments across linear regression, Variational Autoencoders (VAEs) trained on MNIST, and fining-tuning SmolLM2-135M on the XSUM task confirm these theoretical insights.
Authors: Abdelrahman Sayed Sayed, Pierre-Jean Meyer, Mohamed Ghazel
Abstract: Neural ordinary differential equations (neural ODE) are powerful continuous-time machine learning models for depicting the behavior of complex dynamical systems, but their verification remains challenging due to limited reachability analysis tools adapted to them. We propose a novel interval-based reachability method that leverages continuous-time mixed monotonicity techniques for dynamical systems to compute an over-approximation for the neural ODE reachable sets. By exploiting the geometric structure of full initial sets and their boundaries via the homeomorphism property, our approach ensures efficient bound propagation. By embedding neural ODE dynamics into a mixed monotone system, our interval-based reachability approach, implemented in TIRA with single-step, incremental, and boundary-based approaches, provides sound and computationally efficient over-approximations compared with CORA's zonotopes and NNV2.0 star set representations, while trading tightness for efficiency. This trade-off makes our method particularly suited for high-dimensional, real-time, and safety-critical applications. Applying mixed monotonicity to neural ODE reachability analysis paves the way for lightweight formal analysis by leveraging the symmetric structure of monotone embeddings and the geometric simplicity of interval boxes, opening new avenues for scalable verification. This novel approach is illustrated on two numerical examples of a spiral system and a fixed-point attractor system modeled as a neural ODE.
Authors: Stella Kombo, Masih Haseli, Skylar X. Wei, Joel W. Burdick
Abstract: Autonomous systems often must predict the motions of nearby agents from partial and noisy data. This paper asks and answers the question: "can we learn, in real-time, a nonlinear predictive model of another agent's motions?" Our online framework denoises and forecasts such dynamics using a modified sliding-window Hankel Dynamic Mode Decomposition (Hankel-DMD). Partial noisy measurements are embedded into a Hankel matrix, while an associated Page matrix enables singular-value hard thresholding (SVHT) to estimate the effective rank. A Cadzow projection enforces structured low-rank consistency, yielding a denoised trajectory and local noise variance estimates. From this representation, a time-varying Hankel-DMD lifted linear predictor is constructed for multi-step forecasts. The residual analysis provides variance-tracking signals that can support downstream estimators and risk-aware planning. We validate the approach in simulation under Gaussian and heavy-tailed noise, and experimentally on a dynamic crane testbed. Results show that the method achieves stable variance-aware denoising and short-horizon prediction suitable for integration into real-time control frameworks.
Authors: Mario Markov (INSAIT, Sofia University "St. Kliment Ohridski"), Stefan Maria Ailuro (INSAIT, Sofia University "St. Kliment Ohridski"), Luc Van Gool (INSAIT, Sofia University "St. Kliment Ohridski"), Konrad Schindler (ETH Zurich), Danda Pani Paudel (INSAIT, Sofia University "St. Kliment Ohridski")
Abstract: Predicting wildfire risk is a reasoning-intensive spatial problem that requires the integration of visual, climatic, and geographic factors to infer continuous risk maps. Existing methods lack the causal reasoning and multimodal understanding required for reliable generalization. We introduce $\textbf{FireScope-Bench}$, a large-scale dataset and benchmark that couples Sentinel-2 imagery and climate data with expert-defined risk rasters across the USA, and real wildfire events in Europe for cross-continental evaluation. Building on this dataset, we propose $\textbf{FireScope}$, a VLM-based reasoning-to-generation framework that learns from both reinforcement learning and visual supervision to predict risk rasters with complementary reasoning traces. When trained in the USA and tested in Europe, $\textbf{FireScope}$ achieves substantial performance gains, while expert feedback and automated analysis confirm that its reasoning traces are faithful and semantically meaningful. Our findings demonstrate that reasoning can ground raster prediction models, improving both generalization and interpretability. To our knowledge, this is the first framework to (1) demonstrate that language-based reasoning can improve generalization in visual generation, (2) propose a high-resolution wildfire risk model that can be applied across continents, and (3) enable systematic studies of robust cross-continental generalization for multimodal fire risk models. We believe that $\textbf{FireScope-Bench}$ has the potential to serve as a foundation for advancing reasoning-driven, interpretable and generalizable spatial modeling. Data and source code will be made publicly available.
Authors: Jianghao Wu, Yasmeen George, Jin Ye, Yicheng Wu, Daniel F. Schmidt, Jianfei Cai
Abstract: Large language models (LLMs) and multimodal LLMs (MLL-Ms) excel at chain-of-thought reasoning but face distribution shift at test-time and a lack of verifiable supervision. Recent test-time reinforcement learning (TTRL) methods derive label-free pseudo-rewards from self-consistency voting over sampled trajectories, yet they often collapse: the majority-vote reward prevails, responses shorten, and Pass@1 declines. We trace this to uniform sequence updates in which most tokens are low-entropy followers, while a small high-entropy subset determines the reasoning branches. Thus we propose \method, a token-selective test-time reinforcement learning framework that (i) performs distribution-aware forking-token selection to update only decision-critical branch points, and (ii) applies a robust entropy-band regularizer at those tokens to prevent premature collapse and suppress noisy drift. \method plugs into GRPO-style objectives (optionally with a KL anchor) and requires neither labels nor reward models. Across eight benchmarks spanning multimodal VQA, text-only reasoning, \method consistently improves Pass@1 over TTRL while avoiding response-length collapse and yielding more stable training dynamics on both LLM and MLLM backbones. These results indicate that aligning updates with chain-of-thought branch points is a simple and label-free mechanism for stable and effective test-time adaptation in reasoning models. Code will be released.
Authors: Martin Andrae, Erik Larsson, 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.
Authors: Bo Gao, Jingcheng Tong, Xingsheng Chen, Han Yu, Zichen Li
Abstract: Small object detection in complex scenes exposes a fundamental tension in neural network design: backbone attention distributes computation uniformly regardless of content, pyramid necks inflate activation magnitudes during upsampling without norm compensation, and bottleneck convolutions progressively smooth high-frequency edge components through accumulated spatial filtering. To address each failure mode, we propose DFIR-DETR, a transformer-based detector built around three principled contributions: Dynamic Content-Feature Aggregation (DCFA), which concentrates self-attention on structurally complex regions via input-adaptive Top-K sparsification, reducing complexity from O(N2) to O(NK); a Dynamic Feature Pyramid Network (DFPN), which establishes norm-preserving upsampling and explicit spatial detail recovery through dual-path convolution; and a Frequency-domain Iterative Refinement module (FIRC3), which formulates feature aggregation as a constrained optimisation problem in the spectral domain, directly preserving high-frequency boundary components that spatial operations cannot retain. On NEU-DET and VisDrone, DFIR-DETR achieves 92.9% and 51.6% mAP50 with only 11.7M parameters and 41.2~GFLOPs, demonstrating consistent gains across two qualitatively different detection domains.
Authors: Madhav Gupta, Vishak Prasad C, Ganesh Ramakrishnan
Abstract: Subset selection-based methods are widely used to explain deep vision models: they attribute predictions by highlighting the most influential image regions and support object-level explanations. While these methods perform well in in-distribution (ID) settings, their behavior under out-of-distribution (OOD) conditions remains poorly understood. Through extensive experiments across multiple ID-OOD sets, we find that reliability of the existing subset based methods degrades markedly, yielding redundant, unstable, and uncertainty-sensitive explanations. To address these shortcomings, we introduce a framework that combines submodular subset selection with layer-wise, gradient-based uncertainty estimation to improve robustness and fidelity without requiring additional training or auxiliary models. Our approach estimates uncertainty via adaptive weight perturbations and uses these estimates to guide submodular optimization, ensuring diverse and informative subset selection. Empirical evaluations show that, beyond mitigating the weaknesses of existing methods under OOD scenarios, our framework also yields improvements in ID settings. These findings highlight limitations of current subset-based approaches and demonstrate how uncertainty-driven optimization can enhance attribution and object-level interpretability, paving the way for more transparent and trustworthy AI in real-world vision applications.
Authors: Dashti A. Ali, Aras T. Asaad, Jacob J. Peoples, Mohammad Hamghalam, Natalie Gangai, Richard K. G. Do, Alice C. Wei, Amber L. Simpson
Abstract: The development of machine learning (ML) models based on computed tomography (CT) imaging has been a major focus due to the promise that imaging holds for diagnosis, staging, and prognostication. These models often rely on the extraction of hand-crafted features, incorporating robust feature engineering improves the performance of these models. Topological data analysis (TDA), based on the mathematical field of algebraic topology, focuses on data from a topological perspective, extracting deeper insight and higher dimensional structures. Persistent homology (PH), a fundamental tool in TDA, extracts topological features such as connected components, cycles, and voids. A popular approach to construct PH from 3D CT images is to utilize the 3D cubical complex filtration, a method adapted for grid-structured data. However, this approach is subject to poor performance and high computational cost with higher resolution CT images. This study introduces a novel patch-based PH construction approach tailored for volumetric CT imaging data that improves performance and reduces computational time. This study conducts a series of systematic experiments to comprehensively analyze the performance of the proposed method with various parameters and benchmarks against the 3D cubical complex algorithm and radiomic features. Our results highlight the dominance of the patch-based TDA approach in terms of both classification performance and computational time. The proposed approach outperformed the cubical complex method and radiomic features, achieving average improvement of 7.2%, 3.6%, 2.7%, 8.0%, and 7.2% in accuracy, AUC, sensitivity, specificity, and F1 score, respectively, across all datasets. Finally, we provide a convenient python package, Patch-TDA, to facilitate the utilization of the proposed approach.
Authors: Linzhi Wu, Xingyu Zhang, Hao Yuan, Yakun Zhang, Changyan Zheng, Liang Xie, Tiejun Liu, Erwei Yin
Abstract: Audio-visual speech recognition (AVSR) typically improves recognition accuracy in noisy environments by integrating noise-immune visual cues with audio signals. Nevertheless, high-noise audio inputs are prone to introducing adverse interference into the feature fusion process. To mitigate this, recent AVSR methods often adopt mask-based strategies to filter audio noise during feature interaction and fusion, yet such methods risk discarding semantically relevant information alongside noise. In this work, we propose an end-to-end noise-robust AVSR framework coupled with speech enhancement, eliminating the need for explicit noise mask generation. This framework leverages a Conformer-based bottleneck fusion module to implicitly refine noisy audio features with video assistance. By reducing modality redundancy and enhancing inter-modal interactions, our method preserves speech semantic integrity to achieve robust recognition performance. Experimental evaluations on the public LRS3 benchmark suggest that our method outperforms prior advanced mask-based baselines under noisy conditions.
Authors: Amanuel Anteneh, Kyungeun Kim, J. M. Schwarz, Israel Klich, Olivier Pfister
Abstract: We present a method for implementing an optical neural network using only linear optical resources, namely field displacement and interferometry applied to coherent states of light. The nonlinearity required for learning in a neural network is realized via an encoding of the input into phase shifts allowing for far more straightforward experimental implementation compared to previous proposals for, and demonstrations of, $\textit{in situ}$ inference. Beyond $\textit{in situ}$ inference, the method enables $\textit{in situ}$ training by utilizing established techniques like parameter shift methods or physical backpropagation to extract gradients directly from measurements of the linear optical circuit. We also investigate the effect of photon losses and find the model to be very resilient to these.
Authors: Xi Li, Disha Biswas, Peng Zhou, Wesley H. Brigner, Anna Capuano, Joseph S. Friedman, Qing Gu
Abstract: While software implementations of neural networks have driven significant advances in computation, the von Neumann architecture imposes fundamental limitations on speed and energy efficiency. Neuromorphic networks, with structures inspired by the brain's architecture, offer a compelling solution with the potential to approach the extreme energy efficiency of neurobiological systems. Photonic neuromorphic networks (PNNs) are particularly attractive because they leverage the inherent advantages of light, namely high parallelism, low latency, and exceptional energy efficiency. Previous PNN demonstrations have largely focused on device-level functionalities or system-level implementations reliant on supervised learning and inefficient optical-electrical-optical (OEO) conversions. Here, we introduce a purely photonic deep PNN architecture that enables online, unsupervised learning. We propose a local feedback mechanism operating entirely in the optical domain that implements a Hebbian learning rule using non-volatile phase-change material synapses. We experimentally demonstrate this approach on a non-trivial letter recognition task using a commercially available fiber-optic platform and achieve a 100 percent recognition rate, showcasing an all-optical solution for efficient, real-time information processing. This work unlocks the potential of photonic computing for complex artificial intelligence applications by enabling direct, high-throughput processing of optical information without intermediate OEO signal conversions.
Authors: Wenhui Tan, Fiorenzo Parascandolo, Enver Sangineto, Jianzhong Ju, Zhenbo Luo, Qian Cao, Rita Cucchiara, Ruihua Song, Jian Luan
Abstract: Large Reasoning Models (LRMs) have recently achieved strong mathematical and code reasoning performance through Reinforcement Learning (RL) post-training. However, we show that modern reasoning post-training induces an unintended exploration collapse: temperature-based sampling no longer increases pass@$n$ accuracy. Empirically, the final-layer posterior of post-trained LRMs exhibit sharply reduced entropy, while the entropy of intermediate layers remains relatively high. Motivated by this entropy asymmetry, we propose Latent Exploration Decoding (LED), a depth-conditioned decoding strategy. LED aggregates intermediate posteriors via cumulative sum and selects depth configurations with maximal entropy as exploration candidates. Without additional training or parameters, LED consistently improves pass@1 and pass@16 accuracy by 0.61 and 1.03 percentage points across multiple reasoning benchmarks and models. Project page: https://github.com/AlbertTan404/Latent-Exploration-Decoding.
URLs: https://github.com/AlbertTan404/Latent-Exploration-Decoding.
Authors: Zahra Khodagholi, Niloofar Yousefi
Abstract: Saliency maps are increasingly used as design guidance in siRNA efficacy prediction, yet attribution methods are rarely validated before motivating sequence edits. We introduce a pre-synthesis gate: a protocol for counterfactual sensitivity faithfulness that tests whether mutating high-saliency positions changes model output more than composition-matched controls. Cross-dataset transfer reveals two failure modes that would otherwise go undetected: faithful-but-wrong (saliency valid, predictions fail) and inverted saliency (top-saliency edits less impactful than random). Strikingly, models trained on mRNA-level assays collapse on a luciferase reporter dataset, demonstrating that protocol shifts can silently invalidate deployment. Across four benchmarks, 19/20 fold instances pass; the single failure shows inverted saliency. A biology-informed regularizer (BioPrior) strengthens saliency faithfulness with modest, dataset-dependent predictive trade-offs. Our results establish saliency validation as essential pre-deployment practice for explanation-guided therapeutic design. Code is available at https://github.com/shadi97kh/BioPrior.
Authors: Danlong Yuan, Wei Wu, Zhengren Wang, Xueliang Zhao, Huishuai Zhang, Dongyan Zhao
Abstract: Reinforcement learning (RL) has become a key paradigm for training software engineering (SWE) agents, but existing pipelines typically rely on per-task containers for isolation. At scale, pre-built container images incur substantial storage overhead, slow environment setup, and require container-management privileges. We propose SWE-MiniSandbox, a lightweight, container-free method that enables scalable RL training of SWE agents without sacrificing isolation. Instead of relying on per-instance containers, SWE-MiniSandbox executes each task in an isolated workspace backed by kernel-level mechanisms, substantially reducing system overhead. It leverages lightweight environment pre-caching techniques to eliminate the need for bulky container images. As a result, our approach lowers disk usage to approximately 5\% of that required by container-based pipelines and reduces environment preparation time to about 25\% of the container baseline. Empirical results demonstrate that SWE-MiniSandbox achieves evaluation performance comparable to standard container-based pipelines. By removing the dependency on heavy container infrastructure, SWE-MiniSandbox offers a practical and accessible foundation for scaling RL-based SWE agents, particularly in resource-constrained research environments.
Authors: Keshara Weerasinghe (MD), Seyed Hamid Reza Roodabeh (MD), Andrew Hawkins (MD), Zhaomeng Zhang, Zachary Schrader, Homa Alemzadeh
Abstract: Background: Robot-assisted minimally invasive surgery (RMIS) research increasingly relies on multimodal data, yet access to proprietary robot telemetry remains a major barrier. We introduce MiDAS, an open-source, platform-agnostic system enabling time-synchronized, non-invasive multimodal data acquisition across surgical robotic platforms. Methods: MiDAS integrates electromagnetic and RGB-D hand tracking, foot pedal sensing, and surgical video capturing without requiring proprietary robot interfaces. We validated MiDAS on the open-source Raven-II and the clinical da Vinci Xi by collecting multimodal datasets of peg transfer and hernia repair suturing tasks performed by surgical residents. Correlation analysis and downstream gesture recognition experiments were conducted. Results: External hand and foot sensing closely approximated internal robot kinematics and non-invasive motion signals achieved gesture recognition performance comparable to proprietary telemetry. Conclusion: MiDAS enables reproducible multimodal RMIS data collection and is released with annotated datasets, including the first multimodal dataset capturing hernia repair suturing on high-fidelity simulation models.
Authors: Rong Fu, Jia Yee Tan, Chunlei Meng, Shuo Yin, Xiaowen Ma, Wangyu Wu, Muge Qi, Guangzhen Yao, Zhaolu Kang, Zeli Su, Simon Fong
Abstract: As the burgeoning power requirements of sophisticated neural architectures escalate, the information retrieval community has recognized ecological sustainability as a pivotal priority that necessitates a fundamental paradigm shift in model design. While contemporary neural rankers have attained unprecedented accuracy, the substantial environmental externalities associated with their computational intensity often remain overlooked in large-scale deployments. We present GaiaFlow, an innovative framework engineered to facilitate carbon-frugal search by operationalizing semantic-guided diffusion tuning. Our methodology orchestrates the convergence of retrieval-guided Langevin dynamics and a hardware-independent performance modeling strategy to optimize the trade-off between search precision and environmental preservation. By incorporating adaptive early exit protocols and precision-aware quantized inference, the proposed architecture significantly mitigates operational carbon footprints while maintaining robust retrieval quality across heterogeneous computing infrastructures. Extensive experimental evaluations demonstrate that GaiaFlow achieves a superior equilibrium between effectiveness and energy efficiency, offering a scalable and sustainable pathway for next-generation neural search systems.
Authors: Ravi Raju, Mengmeng Ji, Shubhangi Upasani, Bo Li, Urmish Thakker
Abstract: Rapidly increasing context lengths have led to the assumption that large language models (LLMs) can directly reason over entire codebases. Concurrently, recent advances in LLMs have enabled strong performance on software engineering benchmarks, particularly when paired with agentic workflows. In this work, we systematically evaluate whether current LLMs can reliably perform long-context code debugging and patch generation. Using SWE-bench Verified as a controlled experimental setting, we first evaluate state-of-the-art models within an agentic harness (mini-SWE-agent), where performance improves substantially: GPT-5-nano achieves up to a 31\% resolve rate on 100 samples, and open-source models such as Deepseek-R1-0528 obtain competitive results. However, token-level analysis shows that successful agentic trajectories typically remain under 20k-30k tokens, and that longer accumulated contexts correlate with lower success rates, indicating that agentic success primarily arises from task decomposition into short-context steps rather than effective long-context reasoning. To directly test long-context capability, we construct a data pipeline where we artificially inflate the context length of the input by placing the relevant files into the context (ensuring perfect retrieval recall); we then study single-shot patch generation under genuinely long contexts (64k tokens). Despite this setup, performance degrades sharply: Qwen3-Coder-30B-A3B achieves only a 7\% resolve rate at 64k context, while GPT-5-nano solves none of the tasks. Qualitative analysis reveals systematic failure modes, including hallucinated diffs, incorrect file targets, and malformed patch headers. Overall, our findings highlight a significant gap between nominal context length and usable context capacity in current LLMs, and suggest that existing agentic coding benchmarks do not meaningfully evaluate long-context reasoning.
Authors: Ihor Kendiukhov
Abstract: When biological foundation models such as scGPT and Geneformer process single-cell gene expression, what geometric and topological structure forms in their internal representations? Is that structure biologically meaningful or a training artifact, and how confident should we be in such claims? We address these questions through autonomous large-scale hypothesis screening: an AI-driven executor-brainstormer loop that proposed, tested, and refined 141 geometric and topological hypotheses across 52 iterations, covering persistent homology, manifold distances, cross-model alignment, community structure, and directed topology, all with explicit null controls and disjoint gene-pool splits. Three principal findings emerge. First, the models learn genuine geometric structure. Gene embedding neighborhoods exhibit non-trivial topology, with persistent homology significant in 11 of 12 transformer layers at p < 0.05 in the weakest domain and 12 of 12 in the other two. A multi-level distance hierarchy shows that manifold-aware metrics outperform Euclidean distance for identifying regulatory gene pairs, and graph community partitions track known transcription factor target relationships. Second, this structure is shared across independently trained models. CCA alignment between scGPT and Geneformer yields canonical correlation of 0.80 and gene retrieval accuracy of 72 percent, yet none of 19 tested methods reliably recover gene-level correspondences. The models agree on the global shape of gene space but not on precise gene placement. Third, the structure is more localized than it first appears. Under stringent null controls applied across all null families, robust signal concentrates in immune tissue, while lung and external lung signals weaken substantially.
Authors: Jayadev Billa
Abstract: Numerous studies have shown that multimodal LLMs process speech and images well but fail in non-intuitive ways rendering trivial tasks such as object counting unreliable. We investigate this behavior from an information-theoretic perspective by framing multimodal LLM inference as a mismatched decoder problem: a decoder trained primarily on text can only extract information along text-aligned directions (removing up to 98% of the variation in modality-specific (non-text) directions improves decoder loss) and the amount of accessible information is bounded by the Generalized Mutual Information (GMI). We show that information loss is bounded as the distributional mismatch between the source data and the text data increases, and as the sensitivity of the decoder increases. This bound is a function of the model's scoring rule not its architecture. We validate the predictions across five models spanning speech and vision. A controlled study (two Prismatic VLMs differing only in encoder text-alignment) shows that the bottleneck lies in the scoring rule of the decoder rather than the text-alignment of the encoder or the learned projection. A LoRA intervention demonstrates that simply training with an emotion-related objective improves emotion detection from 17.3% to 61.8% task accuracy without affecting other attributes, confirming that the training objective determines what becomes accessible.
Authors: Yangyang Xu, Junbo Ke, You-Wei Wen, Chao Wang
Abstract: Tensor Ring (TR) decomposition is a powerful tool for high-order data modeling, but is inherently restricted to discrete forms defined on fixed meshgrids. In this work, we propose a TR functional decomposition for both meshgrid and non-meshgrid data, where factors are parameterized by Implicit Neural Representations (INRs). However, optimizing this continuous framework to capture fine-scale details is intrinsically difficult. Through a frequency-domain analysis, we demonstrate that the spectral structure of TR factors determines the frequency composition of the reconstructed tensor and limits the high-frequency modeling capacity. To mitigate this, we propose a reparameterized TR functional decomposition, in which each TR factor is a structured combination of a learnable latent tensor and a fixed basis. This reparameterization is theoretically shown to improve the training dynamics of TR factor learning. We further derive a principled initialization scheme for the fixed basis and prove the Lipschitz continuity of our proposed model. Extensive experiments on image inpainting, denoising, super-resolution, and point cloud recovery demonstrate that our method achieves consistently superior performance over existing approaches. Code is available at https://github.com/YangyangXu2002/RepTRFD.
Authors: Niloofar Jazaeri, Hilmi R. Dajani, Marco Janeczek, Martin Bouchard
Abstract: Decoding infant cry causes remains challenging for healthcare monitoring due to short nonstationary signals, limited annotations, and strong domain shifts across infants and datasets. We propose a compact acoustic framework that fuses MFCC, STFT, and pitch features within a multi-branch CNN encoder and models temporal dynamics using an enhanced Legendre Memory Unit (LMU). Compared to LSTMs, the LMU backbone provides stable sequence modeling with substantially fewer recurrent parameters, supporting efficient deployment. To improve cross-dataset generalization, we introduce calibrated posterior ensemble fusion with entropy-gated weighting to preserve domain-specific expertise while mitigating dataset bias. Experiments on Baby2020 and Baby Crying demonstrate improved macro-F1 under cross-domain evaluation, along with leakageaware splits and real-time feasibility for on-device monitoring.
Authors: Mandip Goswami
Abstract: We introduce Whisper-RIR-Mega, a benchmark dataset of paired clean and reverberant speech for evaluating automatic speech recognition (ASR) robustness to room acoustics. Each sample pairs a clean LibriSpeech utterance with the same utterance convolved with a real room impulse response from the RIR-Mega corpus, with stratified splits by reverberation time (RT60) and direct-to-reverberant ratio (DRR). We evaluate five Whisper models (tiny through large-v3) on 1600 test samples and report word error rate (WER) and character error rate (CER) under clean and reverberant conditions. Reverberation consistently degrades performance across all model sizes; the reverb penalty in WER ranges from 0.12 to 1.07 percentage points depending on the model. We release the dataset, evaluation code, and baseline results to support reproducible research on robust ASR.
Authors: Sanyam Singh, Naga Ganesh, Vineet Singh, Lakshmi Pedapudi, Ritesh Kumar, SSP Jyothi, Archana Karanam, Waseem Pasha, Ekta Kumari, C. Yashoda, Mettu Vijaya Rekha Reddy, Shesha Phani Debbesa, Chandan Dash
Abstract: Large Language Models show promise for agricultural advisory, yet vanilla models exhibit unsupported recommendations, generic advice lacking specific, actionable detail, and communication styles misaligned with smallholder farmer needs. In high stakes agricultural contexts, where recommendation accuracy has direct consequences for farmer outcomes, these limitations pose challenges for responsible deployment. We present a hybrid LLM architecture that decouples factual retrieval from conversational delivery: supervised fine-tuning with LoRA on expert-curated GOLDEN FACTS (atomic, verified units of agricultural knowledge) optimizes fact recall, while a separate stitching layer transforms retrieved facts into culturally appropriate, safety-aware responses. Our evaluation framework, DG-EVAL, performs atomic fact verification (measuring recall, precision, and contradiction detection) against expert-curated ground truth rather than Wikipedia or retrieved documents. Experiments across multiple model configurations on crops and queries from Bihar, India show that fine-tuning on curated data substantially improves fact recall and F1, while maintaining high relevance. Using a fine-tuned smaller model achieves comparable or better factual quality at a fraction of the cost of frontier models. A stitching layer further improves safety subscores while maintaining high conversational quality. We release the farmerchat-prompts library to enable reproducible development of domain-specific agricultural AI.
Authors: Ashwath Vaithinathan Aravindan, Mayank Kejriwal
Abstract: Chain-of-Thought (CoT) prompting has emerged as a foundational technique for eliciting reasoning from Large Language Models (LLMs), yet the robustness of this approach to corruptions in intermediate reasoning steps remains poorly understood. This paper presents a comprehensive empirical evaluation of LLM robustness to a structured taxonomy of 5 CoT perturbation types: \textit{MathError, UnitConversion, Sycophancy, SkippedSteps,} and \textit{ExtraSteps}. We evaluate 13 models spanning three orders of magnitude in parameter count (3B to 1.5T\footnote{Assumed parameter count of closed models}), testing their ability to complete mathematical reasoning tasks despite perturbations injected at different points in the reasoning chain. Our key findings reveal heterogeneous vulnerability patterns: MathError perturbations produce the most severe degradation in small models (50-60\% accuracy loss) but show strong scaling benefits; UnitConversion remains challenging across all scales (20-30\% loss even for largest models); ExtraSteps incur minimal accuracy degradation (0-6\%) regardless of scale; Sycophancy produces modest effects (7\% loss for small models); and SkippedSteps cause intermediate damage (15\% loss). Scaling relationships follow power-law patterns, with model size serving as a protective factor against some perturbations but offering limited defense against dimensional reasoning tasks. These findings have direct implications for deploying LLMs in multi-stage reasoning pipelines and underscore the necessity of task-specific robustness assessments and mitigation strategies. The code and results are available https://github.com/Mystic-Slice/CoTPerturbation.
Authors: Saad Qadeer, Panos Stinis
Abstract: Physics-informed neural networks (PINNs) are a versatile tool in the burgeoning field of scientific machine learning for solving partial differential equations (PDEs). However, determining suitable training strategies for them is not obvious, with the result that they typically yield moderately accurate solutions. In this article, we propose a method for improving the accuracy of PINNs by coupling them with a post-processing step that seeks the best approximation in a function space associated with the network. We find that our method yields errors four to five orders of magnitude lower than those of the parent PINNs across architectures and dimensions. Moreover, we can reuse the basis functions for the linear space in more complex settings, such as time-dependent and nonlinear problems, allowing for transfer learning. Our approach also provides a residual-based metric that allows us to optimally choose the number of basis functions employed.
Authors: Anatoly Belikov, Ilya Fedotov
Abstract: Large Language Models (LLMs) are increasingly served on shared accelerators where an adversary with read access to device memory can observe KV caches and hidden states, threatening prompt privacy for open-source models. Cryptographic protections such as MPC and FHE offer strong guarantees but remain one to two orders of magnitude too slow for interactive inference, while static obfuscation schemes break under multi-run statistical attacks once the model is known. We present GELO (Good-Enough LLM Obfuscation), a lightweight protocol for privacy-preserving inference that limits information leakage from untrusted accelerator observations by hiding hidden states with fresh, per-batch invertible mixing. For each offloaded projection, the TEE samples a random matrix $A$, forms $U = AH$, offloads $U$ and weights W to the accelerator, and then applies $A^{-1}$ on return, so that $A^{-1}((AH)W ) = HW$ and outputs are unchanged. Because mixing is never reused across batches, the attacker faces only a single-batch blind source separation problem. We analyse information leakage and introduce two practical defences: (i) non-orthogonal mixing to mask Gram matrices, and (ii) orthogonal mixing augmented with a small fraction of high-energy "shield" vectors that pollute higher-order statistics. On Llama-2 7B, GELO preserves float32 outputs exactly, closely matches low-precision baselines, offloads the dominant matrix multiplications with about 20-30% latency overhead, and defeats a range of ICA/BSS and anchor-based attacks.
Authors: Junjie Fang, Wendi Chen, Han Xue, Fangyuan Zhou, Tian Le, Yi Wang, Yuting Zhang, Jun Lv, Chuan Wen, Cewu Lu
Abstract: Scaling imitation learning is fundamentally constrained by the efficiency of data collection. While handheld interfaces have emerged as a scalable solution for in-the-wild data acquisition, they predominantly operate in an open-loop manner: operators blindly collect demonstrations without knowing the underlying policy's weaknesses, leading to inefficient coverage of critical state distributions. Conversely, interactive methods like DAgger effectively address covariate shift but rely on physical robot execution, which is costly and difficult to scale. To reconcile this trade-off, we introduce RoboPocket, a portable system that enables Robot-Free Instant Policy Iteration using single consumer smartphones. Its core innovation is a Remote Inference framework that visualizes the policy's predicted trajectory via Augmented Reality (AR) Visual Foresight. This immersive feedback allows collectors to proactively identify potential failures and focus data collection on the policy's weak regions without requiring a physical robot. Furthermore, we implement an asynchronous Online Finetuning pipeline that continuously updates the policy with incoming data, effectively closing the learning loop in minutes. Extensive experiments demonstrate that RoboPocket adheres to data scaling laws and doubles the data efficiency compared to offline scaling strategies, overcoming their long-standing efficiency bottleneck. Moreover, our instant iteration loop also boosts sample efficiency by up to 2$\times$ in distributed environments a small number of interactive corrections per person. Project page and videos: https://robo-pocket.github.io.