Authors: Wang Yang, Hongye Jin, Jingfeng Yang, Vipin Chaudhary, Xiaotian Han
Abstract: Supervised Fine-Tuning (SFT) has been a go-to and effective method for enhancing long chain-of-thought (CoT) reasoning in relatively small LLMs by fine-tuning them with long CoT responses from larger LLMs. To continually improve reasoning abilities, we can either collect new high-quality long CoT reasoning SFT data or repeatedly train on existing SFT datasets. However, acquiring new long CoT SFT data is costly and limited, while repeated training often results in a performance plateau or decline. To further boost the performance with the SFT data, we propose Thinking Preference Optimization (ThinkPO), a simple yet effective post-SFT method that enhances long CoT reasoning without requiring new long CoT responses. Instead, ThinkPO utilizes readily available or easily obtainable short CoT reasoning responses as rejected answers and long CoT responses as chosen answers for the same question. It then applies direct preference optimization to encourage the model to favor longer reasoning outputs. Experiments show that ThinkPO further improves the reasoning performance of SFT-ed models, e.g. it increases math reasoning accuracy of SFT-ed models by 8.6% and output length by 25.9%. Notably, ThinkPO is capable of continually boosting the performance of the publicly distilled SFT model, e.g., increasing the official DeepSeek-R1-Distill-Qwen-7B's performance on MATH500 from 87.4% to 91.2%.
Authors: Andreas Radler, Eric Volkmann, Johannes Brandstetter, Arturs Berzins
Abstract: Topology optimization (TO) is a family of computational methods that derive near-optimal geometries from formal problem descriptions. Despite their success, established TO methods are limited to generating single solutions, restricting the exploration of alternative designs. To address this limitation, we introduce Generative Topology Optimization (GenTO) - a data-free method that trains a neural network to generate structurally compliant shapes and explores diverse solutions through an explicit diversity constraint. The network is trained with a solver-in-the-loop, optimizing the material distribution in each iteration. The trained model produces diverse shapes that closely adhere to the design requirements. We validate GenTO on 2D and 3D TO problems. Our results demonstrate that GenTO produces more diverse solutions than any prior method while maintaining near-optimality and being an order of magnitude faster due to inherent parallelism. These findings open new avenues for engineering and design, offering enhanced flexibility and innovation in structural optimization.
Authors: Ahmed Burak Gulhan, Krishna Teja Chitty-Venkata, Murali Emani, Mahmut Kandemir, Venkatram Vishwanath
Abstract: In Large Language Model (LLM) inference, Key-Value (KV) caches (KV-caches) are essential for reducing time complexity. However, they result in a linear increase in GPU memory as the context length grows. While recent work explores KV-cache eviction and compression policies to reduce memory usage, they often consider uniform KV-caches across all attention heads, leading to suboptimal performance. We introduce BaKlaVa, a method to allocate optimal memory for individual KV-caches across the model by estimating the importance of each KV-cache. Our empirical analysis demonstrates that not all KV-caches are equally critical for LLM performance. Using a one-time profiling approach, BaKlaVa assigns optimal memory budgets to each KV-cache. We evaluated our method on LLaMA-3-8B, and Qwen2.5-7B models, achieving up to a 70\% compression ratio while keeping baseline performance and delivering up to an order-of-magnitude accuracy improvement at higher compression levels.
Authors: Sangkyu Lee, Janghoon Han, Hosung Song, Stanley Jungkyu Choi, Honglak Lee, Youngjae Yu
Abstract: Direct Preference Optimization (DPO) demonstrates the advantage of aligning a large language model with human preference using only an offline dataset. However, DPO has the limitation that the KL penalty, which prevents excessive deviation from the reference model, is static throughout the training process. Several methods try to turn this static KL penalty into a dynamic one, but no approach can adaptively assign different KL penalties for each preference pair. In this paper, we propose $\varepsilon$-Direct Preference Optimization ($\varepsilon$-DPO), which allows adaptive control of the KL penalty strength $\beta$ for each preference pair. Specifically, $\varepsilon$-DPO adaptively controls $\beta$ for each preference pair based on the monotonicity of logits as a preference model under the perturbation of $\beta$ during training by simply reusing the logit of the current policy and the reference policy. Experimental results show that $\varepsilon$-DPO outperforms existing direct alignment algorithms and KL penalty relaxation methods on general chatbot benchmarks, highlighting the significance of adaptive KL penalty relaxation at the instance-level in DPO.
Authors: Jiaqi Zhao, Ming Wang, Miao Zhang, Yuzhang Shang, Xuebo Liu, Yaowei Wang, Min Zhang, Liqiang Nie
Abstract: Post-training Quantization (PTQ) technique has been extensively adopted for large language models (LLMs) compression owing to its efficiency and low resource requirement. However, current research lacks a in-depth analysis of the superior and applicable scenarios of each PTQ strategy. In addition, existing algorithms focus primarily on performance, overlooking the trade-off among model size, performance, and quantization bitwidth. To mitigate these confusions, we provide a novel benchmark for LLMs PTQ in this paper. Firstly, in order to support our benchmark, we propose a comprehensive taxonomy for existing mainstream methods by scrutinizing their computational strategies (e.g., optimization-based, compensation-based, etc.). Then, we conduct extensive experiments with the baseline within each class, covering models with various sizes (7B-70B), bitwidths, training levels (LLaMA1/2/3/3.1), architectures (Mixtral, DeepSeekMoE and Mamba) and modality (LLaVA1.5 and VILA1.5) on a wide range of evaluation metrics.Through comparative analysis on the results, we summarize the superior of each PTQ strategy and modelsize-bitwidth trade-off considering the performance. For example, our benchmark reveals that compensation-based technique demonstrates outstanding cross-architecture robustness and extremely low-bit PTQ for ultra large models should be reexamined. Finally, we further accordingly claim that a practical combination of compensation and other PTQ strategy can achieve SOTA various robustness. We believe that our benchmark will provide valuable recommendations for the deployment of LLMs and future research on PTQ approaches.
Authors: Jiaqi Zhao, Miao Zhang, Ming Wang, Yuzhang Shang, Kaihao Zhang, Weili Guan, Yaowei Wang, Min Zhang
Abstract: Large Language Models (LLMs) suffer severe performance degradation when facing extremely low-bit (sub 2-bit) quantization. Several existing sub 2-bit post-training quantization (PTQ) methods utilize a mix-precision scheme by leveraging an unstructured fine-grained mask to explicitly distinguish salient weights, while which introduces an extra 1-bit or more per weight. To explore the real limit of PTQ, we propose an extremely low-bit PTQ method called PTQ1.61, which enables weight quantization to 1.61-bit for the first time. Specifically, we first introduce a one-dimensional structured mask with negligibly additional 0.0002-bit per weight based on input activations from the perspective of reducing the upper bound of quantization error to allocate corresponding salient weight channels to 4-bit. For non-salient channels binarization, an efficient block-wise scaling factors optimization framework is then presented to take implicit row-wise correlations and angular biases into account. Different from prior works that concentrate on adjusting quantization methodologies, we further propose a novel paradigm called quantization preprocessing, where we argue that transforming the weight distribution of the pretrained model before quantization can alleviate the difficulty in per-channel extremely low-bit PTQ. Extensive experiments indicate our PTQ1.61 achieves state-of-the-art performance in extremely low-bit quantization. Codes are available at https://github.com/zjq0455/PTQ1.61.
Authors: Hongxu Wang, Zhu Sun, Yingpeng Du, Lu Zhang, Tiantian He, Yew-Soon Ong
Abstract: Recommender systems (RSs) play a crucial role in shaping our digital interactions, influencing how we access and engage with information across various domains. Traditional research has predominantly centered on maximizing recommendation accuracy, often leading to unintended side effects such as echo chambers and constrained user experiences. Drawing inspiration from autonomous driving, we introduce a novel framework that categorizes RS autonomy into five distinct levels, ranging from basic rule-based accuracy-driven systems to behavior-aware, uncertain multi-objective RSs - where users may have varying needs, such as accuracy, diversity, and fairness. In response, we propose an approach that dynamically identifies and optimizes multiple objectives based on individual user preferences, fostering more ethical and intelligent user-centric recommendations. To navigate the uncertainty inherent in multi-objective RSs, we develop a Bayesian optimization (BO) framework that captures personalized trade-offs between different objectives while accounting for their uncertain interdependencies. Furthermore, we introduce an orthogonal meta-learning paradigm to enhance BO efficiency and effectiveness by leveraging shared knowledge across similar tasks and mitigating conflicts among objectives through the discovery of orthogonal information. Finally, extensive empirical evaluations demonstrate the effectiveness of our method in optimizing uncertain multi-objectives for individual users, paving the way for more adaptive and user-focused RSs.
Authors: Jaemu Heo, Eldor Fozilov, Hyunmin Song, Taehwan Kim
Abstract: Transformers have achieved great success in effectively processing sequential data such as text. Their architecture consisting of several attention and feedforward blocks can model relations between elements of a sequence in parallel manner, which makes them very efficient to train and effective in sequence modeling. Even though they have shown strong performance in processing sequential data, the size of their parameters is considerably larger when compared to other architectures such as RNN and CNN based models. Therefore, several approaches have explored parameter sharing and recurrence in Transformer models to address their computational demands. However, such methods struggle to maintain high performance compared to the original transformer model. To address this challenge, we propose our novel approach, RingFormer, which employs one Transformer layer that processes input repeatedly in a circular, ring-like manner, while utilizing low-rank matrices to generate input-dependent level signals. This allows us to reduce the model parameters substantially while maintaining high performance in a variety of tasks such as translation and image classification, as validated in the experiments.
Authors: Longchao Da, Justin Turnau, Thirulogasankar Pranav Kutralingam, Alvaro Velasquez, Paulo Shakarian, Hua Wei
Abstract: Deep Reinforcement Learning (RL) has been explored and verified to be effective in solving decision-making tasks in various domains, such as robotics, transportation, recommender systems, etc. It learns from the interaction with environments and updates the policy using the collected experience. However, due to the limited real-world data and unbearable consequences of taking detrimental actions, the learning of RL policy is mainly restricted within the simulators. This practice guarantees safety in learning but introduces an inevitable sim-to-real gap in terms of deployment, thus causing degraded performance and risks in execution. There are attempts to solve the sim-to-real problems from different domains with various techniques, especially in the era with emerging techniques such as large foundations or language models that have cast light on the sim-to-real. This survey paper, to the best of our knowledge, is the first taxonomy that formally frames the sim-to-real techniques from key elements of the Markov Decision Process (State, Action, Transition, and Reward). Based on the framework, we cover comprehensive literature from the classic to the most advanced methods including the sim-to-real techniques empowered by foundation models, and we also discuss the specialties that are worth attention in different domains of sim-to-real problems. Then we summarize the formal evaluation process of sim-to-real performance with accessible code or benchmarks. The challenges and opportunities are also presented to encourage future exploration of this direction. We are actively maintaining a to include the most up-to-date sim-to-real research outcomes to help the researchers in their work.
Authors: Enzhe Lu, Zhejun Jiang, Jingyuan Liu, Yulun Du, Tao Jiang, Chao Hong, Shaowei Liu, Weiran He, Enming Yuan, Yuzhi Wang, Zhiqi Huang, Huan Yuan, Suting Xu, Xinran Xu, Guokun Lai, Yanru Chen, Huabin Zheng, Junjie Yan, Jianlin Su, Yuxin Wu, Neo Y. Zhang, Zhilin Yang, Xinyu Zhou, Mingxing Zhang, Jiezhong Qiu
Abstract: Scaling the effective context length is essential for advancing large language models (LLMs) toward artificial general intelligence (AGI). However, the quadratic increase in computational complexity inherent in traditional attention mechanisms presents a prohibitive overhead. Existing approaches either impose strongly biased structures, such as sink or window attention which are task-specific, or radically modify the attention mechanism into linear approximations, whose performance in complex reasoning tasks remains inadequately explored. In this work, we propose a solution that adheres to the ``less structure'' principle, allowing the model to determine where to attend autonomously, rather than introducing predefined biases. We introduce Mixture of Block Attention (MoBA), an innovative approach that applies the principles of Mixture of Experts (MoE) to the attention mechanism. This novel architecture demonstrates superior performance on long-context tasks while offering a key advantage: the ability to seamlessly transition between full and sparse attention, enhancing efficiency without the risk of compromising performance. MoBA has already been deployed to support Kimi's long-context requests and demonstrates significant advancements in efficient attention computation for LLMs. Our code is available at https://github.com/MoonshotAI/MoBA.
Authors: Qianyu He, Huaiwei Sun, Yubo Li, Zhiwen You, Qiming Zheng, Yinghan Huang, Sipeng Zhu, Fengyu Wang
Abstract: This study focuses on the stratification patterns and dynamic evolution of reservoir water temperatures, aiming to estimate and reconstruct the temperature field using limited and noisy local measurement data. Due to complex measurement environments and technical limitations, obtaining complete temperature information for reservoirs is highly challenging. Therefore, accurately reconstructing the temperature field from a small number of local data points has become a critical scientific issue. To address this, the study employs Proper Orthogonal Decomposition (POD) and sparse representation methods to reconstruct the temperature field based on temperature data from a limited number of local measurement points. The results indicate that satisfactory reconstruction can be achieved when the number of POD basis functions is set to 2 and the number of measurement points is 10. Under different water intake depths, the reconstruction errors of both POD and sparse representation methods remain stable at around 0.15, fully validating the effectiveness of these methods in reconstructing the temperature field based on limited local temperature data. Additionally, the study further explores the distribution characteristics of reconstruction errors for POD and sparse representation methods under different water level intervals, analyzing the optimal measurement point layout scheme and potential limitations of the reconstruction methods in this case. This research not only effectively reduces measurement costs and computational resource consumption but also provides a new technical approach for reservoir temperature analysis, holding significant theoretical and practical importance.
Authors: Junyi Guan, Abhijith Sharma, Chong Tian, Salem Lahlou
Abstract: Spiking Neural Networks (SNNs) are increasingly explored for their energy efficiency and robustness in real-world applications, yet their privacy risks remain largely unexamined. In this work, we investigate the susceptibility of SNNs to Membership Inference Attacks (MIAs) -- a major privacy threat where an adversary attempts to determine whether a given sample was part of the training dataset. While prior work suggests that SNNs may offer inherent robustness due to their discrete, event-driven nature, we find that its resilience diminishes as latency (T) increases. Furthermore, we introduce an input dropout strategy under black box setting, that significantly enhances membership inference in SNNs. Our findings challenge the assumption that SNNs are inherently more secure, and even though they are expected to be better, our results reveal that SNNs exhibit privacy vulnerabilities that are equally comparable to Artificial Neural Networks (ANNs). Our code is available at https://anonymous.4open.science/r/MIA_SNN-3610.
Authors: Manal Rahal, Bestoun S. Ahmed, Gergely Szabados, Torgny Fornstedt, Jorgen Samuelsson
Abstract: Poor data quality limits the advantageous power of Machine Learning (ML) and weakens high-performing ML software systems. Nowadays, data are more prone to the risk of poor quality due to their increasing volume and complexity. Therefore, tedious and time-consuming work goes into data preparation and improvement before moving further in the ML pipeline. To address this challenge, we propose an intelligent data-centric evaluation framework that can identify high-quality data and improve the performance of an ML system. The proposed framework combines the curation of quality measurements and unsupervised learning to distinguish high- and low-quality data. The framework is designed to integrate flexible and general-purpose methods so that it is deployed in various domains and applications. To validate the outcomes of the designed framework, we implemented it in a real-world use case from the field of analytical chemistry, where it is tested on three datasets of anti-sense oligonucleotides. A domain expert is consulted to identify the relevant quality measurements and evaluate the outcomes of the framework. The results show that the quality-centric data evaluation framework identifies the characteristics of high-quality data that guide the conduct of efficient laboratory experiments and consequently improve the performance of the ML system.
Authors: Alana Santana, Paula P. Costa, Esther L. Colombini
Abstract: Autonomous artificial agents must be able to learn behaviors in complex environments without humans to design tasks and rewards. Designing these functions for each environment is not feasible, thus, motivating the development of intrinsic reward functions. In this paper, we propose using several cognitive elements that have been neglected for a long time to build an internal world model for an intrinsically motivated agent. Our agent performs satisfactory iterations with the environment, learning complex behaviors without needing previously designed reward functions. We used 18 Atari games to evaluate what cognitive skills emerge in games that require reactive and deliberative behaviors. Our results show superior performance compared to the state-of-the-art in many test cases with dense and sparse rewards.
Authors: Keir Adams, Connor W. Coley
Abstract: Training machine learning models to predict properties of molecular conformer ensembles is an increasingly popular strategy to accelerate the conformational analysis of drug-like small molecules, reactive organic substrates, and homogeneous catalysts. For high-throughput analyses especially, trained surrogate models can help circumvent traditional approaches to conformational analysis that rely on expensive conformer searches and geometry optimizations. Here, we question how the performance of surrogate models for predicting 3D conformer-dependent properties (of a single, active conformer) is affected by the quality of the 3D conformers used as their input. How well do lower-quality conformers inform the prediction of properties of higher-quality conformers? Does the fidelity of geometry optimization matter when encoding random conformers? For models that encode sets of conformers, how does the presence of the active conformer that induces the target property affect model accuracy? How do predictions from a surrogate model compare to estimating the properties from cheap ensembles themselves? We explore these questions in the context of predicting Sterimol parameters of conformer ensembles optimized with density functional theory. Although answers will be case-specific, our analyses provide a valuable perspective on 3D representation learning models and raise practical considerations regarding when conformer quality matters.
Authors: Lee Cohen, Jack Hsieh, Connie Hong, Judy Hanwen Shen
Abstract: In an era of increasingly capable foundation models, job seekers are turning to generative AI tools to enhance their application materials. However, unequal access to and knowledge about generative AI tools can harm both employers and candidates by reducing the accuracy of hiring decisions and giving some candidates an unfair advantage. To address these challenges, we introduce a new variant of the strategic classification framework tailored to manipulations performed using large language models, accommodating varying levels of manipulations and stochastic outcomes. We propose a ``two-ticket'' scheme, where the hiring algorithm applies an additional manipulation to each submitted resume and considers this manipulated version together with the original submitted resume. We establish theoretical guarantees for this scheme, showing improvements for both the fairness and accuracy of hiring decisions when the true positive rate is maximized subject to a no false positives constraint. We further generalize this approach to an $n$-ticket scheme and prove that hiring outcomes converge to a fixed, group-independent decision, eliminating disparities arising from differential LLM access. Finally, we empirically validate our framework and the performance of our two-ticket scheme on real resumes using an open-source resume screening tool.
Authors: Jake C. Snell, Thomas L. Griffiths
Abstract: As machine learning-based prediction systems are increasingly used in high-stakes situations, it is important to understand how such predictive models will perform upon deployment. Distribution-free uncertainty quantification techniques such as conformal prediction provide guarantees about the loss black-box models will incur even when the details of the models are hidden. However, such methods are based on frequentist probability, which unduly limits their applicability. We revisit the central aspects of conformal prediction from a Bayesian perspective and thereby illuminate the shortcomings of frequentist guarantees. We propose a practical alternative based on Bayesian quadrature that provides interpretable guarantees and offers a richer representation of the likely range of losses to be observed at test time.
Authors: Adrien Aumon, Shuang Ni, Myriam Lizotte, Guy Wolf, Kevin R. Moon, Jake S. Rhodes
Abstract: Decades of research have produced robust methods for unsupervised data visualization, yet supervised visualization$\unicode{x2013}$where expert labels guide representations$\unicode{x2013}$remains underexplored, as most supervised approaches prioritize classification over visualization. Recently, RF-PHATE, a diffusion-based manifold learning method leveraging random forests and information geometry, marked significant progress in supervised visualization. However, its lack of an explicit mapping function limits scalability and prevents application to unseen data, posing challenges for large datasets and label-scarce scenarios. To overcome these limitations, we introduce Random Forest Autoencoders (RF-AE), a neural network-based framework for out-of-sample kernel extension that combines the flexibility of autoencoders with the supervised learning strengths of random forests and the geometry captured by RF-PHATE. RF-AE enables efficient out-of-sample supervised visualization and outperforms existing methods, including RF-PHATE's standard kernel extension, in both accuracy and interpretability. Additionally, RF-AE is robust to the choice of hyper-parameters and generalizes to any kernel-based dimensionality reduction method.
Authors: Alexander Chervov, Kirill Khoruzhii, Nikita Bukhal, Jalal Naghiyev, Vladislav Zamkovoy, Ivan Koltsov, Lyudmila Cheldieva, Arsenii Sychev, Arsenii Lenin, Mark Obozov, Egor Urvanov, Alexey Romanov
Abstract: The paper proposes a novel machine learning-based approach to the pathfinding problem on extremely large graphs. This method leverages diffusion distance estimation via a neural network and uses beam search for pathfinding. We demonstrate its efficiency by finding solutions for 4x4x4 and 5x5x5 Rubik's cubes with unprecedentedly short solution lengths, outperforming all available solvers and introducing the first machine learning solver beyond the 3x3x3 case. In particular, it surpasses every single case of the combined best results in the Kaggle Santa 2023 challenge, which involved over 1,000 teams. For the 3x3x3 Rubik's cube, our approach achieves an optimality rate exceeding 98%, matching the performance of task-specific solvers and significantly outperforming prior solutions such as DeepCubeA (60.3%) and EfficientCube (69.6%). Additionally, our solution is more than 26 times faster in solving 3x3x3 Rubik's cubes while requiring up to 18.5 times less model training time than the most efficient state-of-the-art competitor.
Authors: Khaled Mohammed Saifuddin, Jonathan Shihao Ji, Esra Akbas
Abstract: Recent advancements in Graph Contrastive Learning (GCL) have demonstrated remarkable effectiveness in improving graph representations. However, relying on predefined augmentations (e.g., node dropping, edge perturbation, attribute masking) may result in the loss of task-relevant information and a lack of adaptability to diverse input data. Furthermore, the selection of negative samples remains rarely explored. In this paper, we introduce HyperGCL, a novel multimodal GCL framework from a hypergraph perspective. HyperGCL constructs three distinct hypergraph views by jointly utilizing the input graph's structure and attributes, enabling a comprehensive integration of multiple modalities in contrastive learning. A learnable adaptive topology augmentation technique enhances these views by preserving important relations and filtering out noise. View-specific encoders capture essential characteristics from each view, while a network-aware contrastive loss leverages the underlying topology to define positive and negative samples effectively. Extensive experiments on benchmark datasets demonstrate that HyperGCL achieves state-of-the-art node classification performance.
Authors: Sangwoong Yoon, Himchan Hwang, Hyeokju Jeong, Dong Kyu Shin, Che-Sang Park, Sehee Kwon, Frank Chongwoo Park
Abstract: We propose the Value Gradient Sampler (VGS), a trainable sampler based on the interpretation of sampling as discrete-time sequential decision-making. VGS generates samples from a given unnormalized density (i.e., energy) by drifting and diffusing randomly initialized particles. In VGS, finding the optimal drift is equivalent to solving an optimal control problem where the cost is the upper bound of the KL divergence between the target density and the samples. We employ value-based dynamic programming to solve this optimal control problem, which gives the gradient of the value function as the optimal drift vector. The connection to sequential decision making allows VGS to leverage extensively studied techniques in reinforcement learning, making VGS a fast, adaptive, and accurate sampler that achieves competitive results in various sampling benchmarks. Furthermore, VGS can replace MCMC in contrastive divergence training of energy-based models. We demonstrate the effectiveness of VGS in training accurate energy-based models in industrial anomaly detection applications.
Authors: Jingfeng Wu, Peter Bartlett, Matus Telgarsky, Bin Yu
Abstract: In overparameterized logistic regression, gradient descent (GD) iterates diverge in norm while converging in direction to the maximum $\ell_2$-margin solution -- a phenomenon known as the implicit bias of GD. This work investigates additional regularization effects induced by early stopping in well-specified high-dimensional logistic regression. We first demonstrate that the excess logistic risk vanishes for early-stopped GD but diverges to infinity for GD iterates at convergence. This suggests that early-stopped GD is well-calibrated, whereas asymptotic GD is statistically inconsistent. Second, we show that to attain a small excess zero-one risk, polynomially many samples are sufficient for early-stopped GD, while exponentially many samples are necessary for any interpolating estimator, including asymptotic GD. This separation underscores the statistical benefits of early stopping in the overparameterized regime. Finally, we establish nonasymptotic bounds on the norm and angular differences between early-stopped GD and $\ell_2$-regularized empirical risk minimizer, thereby connecting the implicit regularization of GD with explicit $\ell_2$-regularization.
Authors: Mattia Miotto, Lorenzo Monacelli
Abstract: The emergence of generative artificial intelligence (GenAI), comprising large language models, text-to-image generators, and AI algorithms for medical drug and material design, had a transformative impact on society. However, despite an initial exponential growth surpassing Moore's law, progress is now plateauing, suggesting we are approaching the limits of current technology. Indeed, these models are notoriously data-hungry, prone to overfitting, and challenging to direct during the generative process, hampering their effective professional employment. To cope with these limitations, we propose a paradigm shift in GenAI by introducing an ab initio method based on the minimal maximum entropy principle. Our approach does not fit the data. Instead, it compresses information in the training set by finding a latent representation parameterized by arbitrary nonlinear functions, such as neural networks. The result is a general physics-driven model, which is data-efficient, resistant to overfitting, and flexible, permitting to control and influence the generative process. Benchmarking shows that our method outperforms variational autoencoders (VAEs) with similar neural architectures, particularly on undersampled datasets. We demonstrate the methods effectiveness in generating images, even with limited training data, and its unprecedented capability to customize the generation process a posteriori without the need of any fine-tuning or retraining.
Authors: Noel Ngu, Aditya Taparia, Gerardo I. Simari, Mario Leiva, Jack Corcoran, Ransalu Senanayake, Paulo Shakarian, Nathaniel D. Bastian
Abstract: Machine learning models assume that training and test samples are drawn from the same distribution. As such, significant differences between training and test distributions often lead to degradations in performance. We introduce Multiple Distribution Shift -- Aerial (MDS-A) -- a collection of inter-related datasets of the same aerial domain that are perturbed in different ways to better characterize the effects of out-of-distribution performance. Specifically, MDS-A is a set of simulated aerial datasets collected under different weather conditions. We include six datasets under different simulated weather conditions along with six baseline object-detection models, as well as several test datasets that are a mix of weather conditions that we show have significant differences from the training data. In this paper, we present characterizations of MDS-A, provide performance results for the baseline machine learning models (on both their specific training datasets and the test data), as well as results of the baselines after employing recent knowledge-engineering error-detection techniques (EDR) thought to improve out-of-distribution performance. The dataset is available at https://lab-v2.github.io/mdsa-dataset-website.
Authors: Sachini Weerasekara, Sagar Kamarthi, Jacqueline Isaacs
Abstract: Predicting medical events in advance within critical care settings is paramount for patient outcomes and resource management. Utilizing predictive models, healthcare providers can anticipate issues such as cardiac arrest, sepsis, or respiratory failure before they manifest. Recently, there has been a surge in research focusing on forecasting adverse medical event onsets prior to clinical manifestation using machine learning. However, while these models provide temporal prognostic predictions for the occurrence of a specific adverse event of interest within defined time intervals, their interpretability often remains a challenge. In this work, we explore the applicability of neural temporal point processes in the context of adverse event onset prediction, with the aim of explaining clinical pathways and providing interpretable insights. Our experiments span six state-of-the-art neural point processes and six critical care datasets, each focusing on the onset of distinct adverse events. This work represents a novel application class of neural temporal point processes in event prediction.
Authors: Pawel Trajdos, Marek Kurzynski
Abstract: The paper presents an original method for controlling a surface-electromyography-driven (sEMG) prosthesis. A context-dependent recognition system is proposed in which the same class of sEMG signals may have a different interpretation, depending on the context. This allowed the repertoire of performed movements to be increased. The proposed structure of the context-dependent recognition system includes unambiguously defined decision sequences covering the overall action of the prosthesis, i.e. the so-called boxes. Because the boxes are mutually isolated environments, each box has its own interpretation of the recognition result, as well as a separate local-recognition-task-focused classifier. Due to the freedom to assign contextual meanings to classes of biosignals, the construction procedure of the classifier can be optimised in terms of the local classification quality in a given box or the classification quality of the entire system. In the paper, two optimisation problems are formulated, differing in the adopted constraints on optimisation variables, with the methods of solving the problems based on an exhaustive search and an evolutionary algorithm, being developed. Experimental studies were conducted using signals from 1 able-bodied person with simulation of amputation and 10 volunteers with transradial amputations. The study compared the classical recognition system and the context-dependent system for various classifier models. An unusual testing strategy was adopted in the research, taking into account the specificity of the considered recognition task, with two original quality measures resulting from this scheme then being applied. The results obtained confirm the hypothesis that the application of the context-dependent classifier led to an improvement in classification quality.
Authors: Junjun Pan, Yixin Liu, Xin Zheng, Yizhen Zheng, Alan Wee-Chung Liew, Fuyi Li, Shirui Pan
Abstract: Graph fraud detection (GFD) has rapidly advanced in protecting online services by identifying malicious fraudsters. Recent supervised GFD research highlights that heterophilic connections between fraudsters and users can greatly impact detection performance, since fraudsters tend to camouflage themselves by building more connections to benign users. Despite the promising performance of supervised GFD methods, the reliance on labels limits their applications to unsupervised scenarios; Additionally, accurately capturing complex and diverse heterophily patterns without labels poses a further challenge. To fill the gap, we propose a Heterophily-guided Unsupervised Graph fraud dEtection approach (HUGE) for unsupervised GFD, which contains two essential components: a heterophily estimation module and an alignment-based fraud detection module. In the heterophily estimation module, we design a novel label-free heterophily metric called HALO, which captures the critical graph properties for GFD, enabling its outstanding ability to estimate heterophily from node attributes. In the alignment-based fraud detection module, we develop a joint MLP-GNN architecture with ranking loss and asymmetric alignment loss. The ranking loss aligns the predicted fraud score with the relative order of HALO, providing an extra robustness guarantee by comparing heterophily among non-adjacent nodes. Moreover, the asymmetric alignment loss effectively utilizes structural information while alleviating the feature-smooth effects of GNNs.Extensive experiments on 6 datasets demonstrate that HUGE significantly outperforms competitors, showcasing its effectiveness and robustness. The source code of HUGE is at https://github.com/CampanulaBells/HUGE-GAD.
Authors: Paul Boniol, Ashwin K. Krishna, Marine Bruel, Qinghua Liu, Mingyi Huang, Themis Palpanas, Ruey S. Tsay, Aaron Elmore, Michael J. Franklin, John Paparrizos
Abstract: Anomaly detection (AD) is a fundamental task for time-series analytics with important implications for the downstream performance of many applications. In contrast to other domains where AD mainly focuses on point-based anomalies (i.e., outliers in standalone observations), AD for time series is also concerned with range-based anomalies (i.e., outliers spanning multiple observations). Nevertheless, it is common to use traditional point-based information retrieval measures, such as Precision, Recall, and F-score, to assess the quality of methods by thresholding the anomaly score to mark each point as an anomaly or not. However, mapping discrete labels into continuous data introduces unavoidable shortcomings, complicating the evaluation of range-based anomalies. Notably, the choice of evaluation measure may significantly bias the experimental outcome. Despite over six decades of attention, there has never been a large-scale systematic quantitative and qualitative analysis of time-series AD evaluation measures. This paper extensively evaluates quality measures for time-series AD to assess their robustness under noise, misalignments, and different anomaly cardinality ratios. Our results indicate that measures producing quality values independently of a threshold (i.e., AUC-ROC and AUC-PR) are more suitable for time-series AD. Motivated by this observation, we first extend the AUC-based measures to account for range-based anomalies. Then, we introduce a new family of parameter-free and threshold-independent measures, Volume Under the Surface (VUS), to evaluate methods while varying parameters. We also introduce two optimized implementations for VUS that reduce significantly the execution time of the initial implementation. Our findings demonstrate that our four measures are significantly more robust in assessing the quality of time-series AD methods.
Authors: Xingyue Huang, Pablo Barcel\'o, Michael M. Bronstein, \.Ismail \.Ilkan Ceylan, Mikhail Galkin, Juan L Reutter, Miguel Romero Orth
Abstract: Knowledge Graph Foundation Models (KGFMs) are at the frontier for deep learning on knowledge graphs (KGs), as they can generalize to completely novel knowledge graphs with different relational vocabularies. Despite their empirical success, our theoretical understanding of KGFMs remains very limited. In this paper, we conduct a rigorous study of the expressive power of KGFMs. Specifically, we show that the expressive power of KGFMs directly depends on the motifs that are used to learn the relation representations. We then observe that the most typical motifs used in the existing literature are binary, as the representations are learned based on how pairs of relations interact, which limits the model's expressiveness. As part of our study, we design more expressive KGFMs using richer motifs, which necessitate learning relation representations based on, e.g., how triples of relations interact with each other. Finally, we empirically validate our theoretical findings, showing that the use of richer motifs results in better performance on a wide range of datasets drawn from different domains.
Authors: Tassallah Abdullahi, Ioanna Gemou, Nihal V. Nayak, Ghulam Murtaza, Stephen H. Bach, Carsten Eickhoff, Ritambhara Singh
Abstract: Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.
Authors: Yuan Chen, Abdul Khaliq, Khaled M. Furati
Abstract: Nonlinear time-dependent partial differential equations are essential in modeling complex phenomena across diverse fields, yet they pose significant challenges due to their computational complexity, especially in higher dimensions. This study explores Quantum Recurrent Neural Networks within an encoder-decoder framework, integrating Variational Quantum Circuits into Gated Recurrent Units and Long Short-Term Memory networks. Using this architecture, the model efficiently compresses high-dimensional spatiotemporal data into a compact latent space, facilitating more efficient temporal evolution. We evaluate the algorithms on the Hamilton-Jacobi-Bellman equation, Burgers' equation, the Gray-Scott reaction-diffusion system, and the three dimensional Michaelis-Menten reaction-diffusion equation. The results demonstrate the superior performance of the quantum-based algorithms in capturing nonlinear dynamics, handling high-dimensional spaces, and providing stable solutions, highlighting their potential as an innovative tool in solving challenging and complex systems.
Authors: Yao Xie, Xiuyuan Cheng
Abstract: Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly detection. Flow-based generative models provide a powerful framework for capturing complex probability distributions, offering exact likelihood estimation, efficient sampling, and deterministic transformations between distributions. These models leverage invertible mappings governed by Ordinary Differential Equations (ODEs), enabling precise density estimation and likelihood evaluation. This tutorial presents an intuitive mathematical framework for flow-based generative models, formulating them as neural network-based representations of continuous probability densities. We explore key theoretical principles, including the Wasserstein metric, gradient flows, and density evolution governed by ODEs, to establish convergence guarantees and bridge empirical advancements with theoretical insights. By providing a rigorous yet accessible treatment, we aim to equip researchers and practitioners with the necessary tools to effectively apply flow-based generative models in signal processing and machine learning.
Authors: Vishal Dey, Xiao Hu, Xia Ning
Abstract: Despite recent advancements, most computational methods for molecule optimization are constrained to single- or double-property optimization tasks and suffer from poor scalability and generalizability to novel optimization tasks. Meanwhile, Large Language Models (LLMs) demonstrate remarkable out-of-domain generalizability to novel tasks. To demonstrate LLMs' potential for molecule optimization, we introduce $\mathtt{MoMUInstruct}$, the first high-quality instruction-tuning dataset specifically focused on complex multi-property molecule optimization tasks. Leveraging $\mathtt{MoMUInstruct}$, we develop $\mathtt{GeLLM^3O}$s, a series of instruction-tuned LLMs for molecule optimization. Extensive evaluations across 5 in-domain and 5 out-of-domain tasks demonstrate that $\mathtt{GeLLM^3O}$s consistently outperform state-of-the-art baselines. $\mathtt{GeLLM^3O}$s also exhibit outstanding zero-shot generalization to unseen tasks, significantly outperforming powerful closed-source LLMs. Such strong generalizability demonstrates the tremendous potential of $\mathtt{GeLLM^3O}$s as foundational models for molecule optimization, thereby tackling novel optimization tasks without resource-intensive retraining. $\mathtt{MoMUInstruct}$, models, and code are accessible through https://github.com/ninglab/GeLLMO.
Authors: Dongki Kim, Wonbin Lee, Sung Ju Hwang
Abstract: Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in interpreting molecular structures, their instruction datasets are limited to the specific knowledge from task-oriented datasets and do not fully cover the fundamental characteristics of molecules, hindering their abilities as general-purpose molecular assistants. To address this issue, we propose Mol-LLaMA, a large molecular language model that grasps the general knowledge centered on molecules via multi-modal instruction tuning. To this end, we design key data types that encompass the fundamental features of molecules, incorporating essential knowledge from molecular structures. In addition, to improve understanding of molecular features, we introduce a module that integrates complementary information from different molecular encoders, leveraging the distinct advantages of different molecular representations. Our experimental results demonstrate that Mol-LLaMA is capable of comprehending the general features of molecules and generating relevant responses to users' queries with detailed explanations, implying its potential as a general-purpose assistant for molecular analysis.
Authors: Gautham Govind Anil, Sachin Yadav, Dheeraj Nagaraj, Karthikeyan Shanmugam, Prateek Jain
Abstract: We introduce Interleaved Gibbs Diffusion (IGD), a novel generative modeling framework for mixed continuous-discrete data, focusing on constrained generation problems. Prior works on discrete and continuous-discrete diffusion models assume factorized denoising distribution for fast generation, which can hinder the modeling of strong dependencies between random variables encountered in constrained generation. IGD moves beyond this by interleaving continuous and discrete denoising algorithms via a discrete time Gibbs sampling type Markov chain. IGD provides flexibility in the choice of denoisers, allows conditional generation via state-space doubling and inference time scaling via the ReDeNoise method. Empirical evaluations on three challenging tasks-solving 3-SAT, generating molecule structures, and generating layouts-demonstrate state-of-the-art performance. Notably, IGD achieves a 7% improvement on 3-SAT out of the box and achieves state-of-the-art results in molecule generation without relying on equivariant diffusion or domain-specific architectures. We explore a wide range of modeling, and interleaving strategies along with hyperparameters in each of these problems.
Authors: Linfeng Cao, Ming Shi, Ness B. Shroff
Abstract: Multi-objective multi-armed bandit (MO-MAB) problems traditionally aim to achieve Pareto optimality. However, real-world scenarios often involve users with varying preferences across objectives, resulting in a Pareto-optimal arm that may score high for one user but perform quite poorly for another. This highlights the need for customized learning, a factor often overlooked in prior research. To address this, we study a preference-aware MO-MAB framework in the presence of explicit user preference. It shifts the focus from achieving Pareto optimality to further optimizing within the Pareto front under preference-centric customization. To our knowledge, this is the first theoretical study of customized MO-MAB optimization with explicit user preferences. Motivated by practical applications, we explore two scenarios: unknown preference and hidden preference, each presenting unique challenges for algorithm design and analysis. At the core of our algorithms are preference estimation and preference-aware optimization mechanisms to adapt to user preferences effectively. We further develop novel analytical techniques to establish near-optimal regret of the proposed algorithms. Strong empirical performance confirm the effectiveness of our approach.
Authors: Yu Chen, Siwei Wang, Longbo Huang, Wei Chen
Abstract: We study the $K$-Max combinatorial multi-armed bandits problem with continuous outcome distributions and weak value-index feedback: each base arm has an unknown continuous outcome distribution, and in each round the learning agent selects $K$ arms, obtains the maximum value sampled from these $K$ arms as reward and observes this reward together with the corresponding arm index as feedback. This setting captures critical applications in recommendation systems, distributed computing, server scheduling, etc. The continuous $K$-Max bandits introduce unique challenges, including discretization error from continuous-to-discrete conversion, non-deterministic tie-breaking under limited feedback, and biased estimation due to partial observability. Our key contribution is the computationally efficient algorithm DCK-UCB, which combines adaptive discretization with bias-corrected confidence bounds to tackle these challenges. For general continuous distributions, we prove that DCK-UCB achieves a $\widetilde{\mathcal{O}}(T^{3/4})$ regret upper bound, establishing the first sublinear regret guarantee for this setting. Furthermore, we identify an important special case with exponential distributions under full-bandit feedback. In this case, our proposed algorithm MLE-Exp enables $\widetilde{\mathcal{O}}(\sqrt{T})$ regret upper bound through maximal log-likelihood estimation, achieving near-minimax optimality.
Authors: Phaphontee Yamchote, Saw Nay Htet Win, Chainarong Amornbunchornvej, Thanapon Noraset
Abstract: Feature interaction is crucial in predictive machine learning models, as it captures the relationships between features that influence model performance. In this work, we focus on pairwise interactions and investigate their importance in constructing feature graphs for Graph Neural Networks (GNNs). Rather than proposing new methods, we leverage existing GNN models and tools to explore the relationship between feature graph structures and their effectiveness in modeling interactions. Through experiments on synthesized datasets, we uncover that edges between interacting features are important for enabling GNNs to model feature interactions effectively. We also observe that including non-interaction edges can act as noise, degrading model performance. Furthermore, we provide theoretical support for sparse feature graph selection using the Minimum Description Length (MDL) principle. We prove that feature graphs retaining only necessary interaction edges yield a more efficient and interpretable representation than complete graphs, aligning with Occam's Razor. Our findings offer both theoretical insights and practical guidelines for designing feature graphs that improve the performance and interpretability of GNN models.
Authors: Egor Shulgin, Sarit Khirirat, Peter Richt\'arik
Abstract: Federated learning enables training machine learning models while preserving the privacy of participants. Surprisingly, there is no differentially private distributed method for smooth, non-convex optimization problems. The reason is that standard privacy techniques require bounding the participants' contributions, usually enforced via $\textit{clipping}$ of the updates. Existing literature typically ignores the effect of clipping by assuming the boundedness of gradient norms or analyzes distributed algorithms with clipping but ignores DP constraints. In this work, we study an alternative approach via $\textit{smoothed normalization}$ of the updates motivated by its favorable performance in the single-node setting. By integrating smoothed normalization with an error-feedback mechanism, we design a new distributed algorithm $\alpha$-$\sf NormEC$. We prove that our method achieves a superior convergence rate over prior works. By extending $\alpha$-$\sf NormEC$ to the DP setting, we obtain the first differentially private distributed optimization algorithm with provable convergence guarantees. Finally, our empirical results from neural network training indicate robust convergence of $\alpha$-$\sf NormEC$ across different parameter settings.
Authors: Sebastien R\"ocken, Julija Zavadlav
Abstract: Machine Learning Potentials (MLPs) can enable simulations of ab initio accuracy at orders of magnitude lower computational cost. However, their effectiveness hinges on the availability of considerable datasets to ensure robust generalization across chemical space and thermodynamic conditions. The generation of such datasets can be labor-intensive, highlighting the need for innovative methods to train MLPs in data-scarce scenarios. Here, we introduce transfer learning of potential energy surfaces between chemically similar elements. Specifically, we leverage the trained MLP for silicon to initialize and expedite the training of an MLP for germanium. Utilizing classical force field and ab initio datasets, we demonstrate that transfer learning surpasses traditional training from scratch in force prediction, leading to more stable simulations and improved temperature transferability. These advantages become even more pronounced as the training dataset size decreases. The out-of-target property analysis shows that transfer learning leads to beneficial but sometimes adversarial effects. Our findings demonstrate that transfer learning across chemical elements is a promising technique for developing accurate and numerically stable MLPs, particularly in a data-scarce regime.
Authors: Ruyue Liu, Rong Yin, Yong Liu, Xiaoshuai Hao, Haichao Shi, Can Ma, Weiping Wang
Abstract: Graph Contrastive Learning (GCL) has emerged as the foremost approach for self-supervised learning on graph-structured data. GCL reduces reliance on labeled data by learning robust representations from various augmented views. However, existing GCL methods typically depend on consistent stochastic augmentations, which overlook their impact on the intrinsic structure of the spectral domain, thereby limiting the model's ability to generalize effectively. To address these limitations, we propose a novel paradigm called AS-GCL that incorporates asymmetric spectral augmentation for graph contrastive learning. A typical GCL framework consists of three key components: graph data augmentation, view encoding, and contrastive loss. Our method introduces significant enhancements to each of these components. Specifically, for data augmentation, we apply spectral-based augmentation to minimize spectral variations, strengthen structural invariance, and reduce noise. With respect to encoding, we employ parameter-sharing encoders with distinct diffusion operators to generate diverse, noise-resistant graph views. For contrastive loss, we introduce an upper-bound loss function that promotes generalization by maintaining a balanced distribution of intra- and inter-class distance. To our knowledge, we are the first to encode augmentation views of the spectral domain using asymmetric encoders. Extensive experiments on eight benchmark datasets across various node-level tasks demonstrate the advantages of the proposed method.
Authors: Jun Zhang, Jue Wang, Huan Li, Lidan Shou, Ke Chen, Yang You, Guiming Xie, Xuejian Gong, Kunlong Zhou
Abstract: Large Language Models (LLMs) have significantly advanced natural language processing with exceptional task generalization capabilities. Low-Rank Adaption (LoRA) offers a cost-effective fine-tuning solution, freezing the original model parameters and training only lightweight, low-rank adapter matrices. However, the memory footprint of LoRA is largely dominated by the original model parameters. To mitigate this, we propose LoRAM, a memory-efficient LoRA training scheme founded on the intuition that many neurons in over-parameterized LLMs have low training utility but are essential for inference. LoRAM presents a unique twist: it trains on a pruned (small) model to obtain pruned low-rank matrices, which are then recovered and utilized with the original (large) model for inference. Additionally, minimal-cost continual pre-training, performed by the model publishers in advance, aligns the knowledge discrepancy between pruned and original models. Our extensive experiments demonstrate the efficacy of LoRAM across various pruning strategies and downstream tasks. For a model with 70 billion parameters, LoRAM enables training on a GPU with only 20G HBM, replacing an A100-80G GPU for LoRA training and 15 GPUs for full fine-tuning. Specifically, QLoRAM implemented by structured pruning combined with 4-bit quantization, for LLaMA-3.1-70B (LLaMA-2-70B), reduces the parameter storage cost that dominates the memory usage in low-rank matrix training by 15.81$\times$ (16.95$\times$), while achieving dominant performance gains over both the original LLaMA-3.1-70B (LLaMA-2-70B) and LoRA-trained LLaMA-3.1-8B (LLaMA-2-13B).
Authors: Yushi Feng, Tsai Hor Chan, Guosheng Yin, Lequan Yu
Abstract: Data augmentation is necessary for graph representation learning due to the scarcity and noise present in graph data. Most of the existing augmentation methods overlook the context information inherited from the dataset as they rely solely on the graph structure for augmentation. Despite the success of some large language model-based (LLM) graph learning methods, they are mostly white-box which require access to the weights or latent features from the open-access LLMs, making them difficult to be democratized for everyone as existing LLMs are mostly closed-source for commercial considerations. To overcome these limitations, we propose a black-box context-driven graph data augmentation approach, with the guidance of LLMs -- DemoGraph. Leveraging the text prompt as context-related information, we task the LLM with generating knowledge graphs (KGs), which allow us to capture the structural interactions from the text outputs. We then design a dynamic merging schema to stochastically integrate the LLM-generated KGs into the original graph during training. To control the sparsity of the augmented graph, we further devise a granularity-aware prompting strategy and an instruction fine-tuning module, which seamlessly generates text prompts according to different granularity levels of the dataset. Extensive experiments on various graph learning tasks validate the effectiveness of our method over existing graph data augmentation methods. Notably, our approach excels in scenarios involving electronic health records (EHRs), which validates its maximal utilization of contextual knowledge, leading to enhanced predictive performance and interpretability.
Authors: Jintang Li, Ruofan Wu, Yuchang Zhu, Huizhe Zhang, Liang Chen, Zibin Zheng
Abstract: Large language models (LLMs) have demonstrated remarkable in-context reasoning capabilities across a wide range of tasks, particularly with unstructured inputs such as language or images. However, LLMs struggle to handle structured data, such as graphs, due to their lack of understanding of non-Euclidean structures. As a result, without additional fine-tuning, their performance significantly lags behind that of graph neural networks (GNNs) in graph learning tasks. In this paper, we show that learning on graph data can be conceptualized as a retrieval-augmented generation (RAG) process, where specific instances (e.g., nodes or edges) act as queries, and the graph itself serves as the retrieved context. Building on this insight, we propose a series of RAG frameworks to enhance the in-context learning capabilities of LLMs for graph learning tasks. Comprehensive evaluations demonstrate that our proposed RAG frameworks significantly improve LLM performance on graph-based tasks, particularly in scenarios where a pretrained LLM must be used without modification or accessed via an API.
Authors: Xin Li, Anand Sarwate
Abstract: Imposing an effective structural assumption on neural network weight matrices has been the major paradigm for designing Parameter-Efficient Fine-Tuning (PEFT) systems for adapting modern large pre-trained models to various downstream tasks. However, low rank based adaptation has become increasingly challenging due to the sheer scale of modern large language models. In this paper, we propose an effective kernelization to further reduce the number of parameters required for adaptation tasks. Specifically, from the classical idea in numerical analysis regarding matrix Low-Separation-Rank (LSR) representations, we develop a kernel using this representation for the low rank adapter matrices of the linear layers from large networks, named the Low Separation Rank Adaptation (LSR-Adapt) kernel. With the ultra-efficient kernel representation of the low rank adapter matrices, we manage to achieve state-of-the-art performance with even higher accuracy with almost half the number of parameters as compared to conventional low rank based methods. This structural assumption also opens the door to further GPU-side optimizations due to the highly parallelizable nature of Kronecker computations.
Authors: Yuan Yao, Xiaopu Zhang, Yu Zhang, Jian Jin, Qiang Yang
Abstract: Semi-supervised heterogeneous domain adaptation (SHDA) addresses learning across domains with distinct feature representations and distributions, where source samples are labeled while most target samples are unlabeled, with only a small fraction labeled. Moreover, there is no one-to-one correspondence between source and target samples. Although various SHDA methods have been developed to tackle this problem, the nature of the knowledge transferred across heterogeneous domains remains unclear. This paper delves into this question from an empirical perspective. We conduct extensive experiments on about 330 SHDA tasks, employing two supervised learning methods and seven representative SHDA methods. Surprisingly, our observations indicate that both the category and feature information of source samples do not significantly impact the performance of the target domain. Additionally, noise drawn from simple distributions, when used as source samples, may contain transferable knowledge. Based on this insight, we perform a series of experiments to uncover the underlying principles of transferable knowledge in SHDA. Specifically, we design a unified Knowledge Transfer Framework (KTF) for SHDA. Based on the KTF, we find that the transferable knowledge in SHDA primarily stems from the transferability and discriminability of the source domain. Consequently, ensuring those properties in source samples, regardless of their origin (e.g., image, text, noise), can enhance the effectiveness of knowledge transfer in SHDA tasks. The codes and datasets are available at https://github.com/yyyaoyuan/SHDA.
Authors: Coleman Hooper, Sehoon Kim, Suhong Moon, Kerem Dilmen, Monishwaran Maheswaran, Nicholas Lee, Michael W. Mahoney, Sophia Shao, Kurt Keutzer, Amir Gholami
Abstract: Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8$\times$ reduction in average KV cache size during the search process, leading to 1.4$\times$ increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.
Authors: Peiwen Yuan, Yueqi Zhang, Shaoxiong Feng, Yiwei Li, Xinglin Wang, Jiayi Shi, Chuyi Tan, Boyuan Pan, Yao Hu, Kan Li
Abstract: Evaluating models on large benchmarks is very resource-intensive, especially during the period of rapid model evolution. Existing efficient evaluation methods estimate the performance of target models by testing them only on a small and static coreset of the benchmark, which is derived from the publicly available evaluation results of source models. These methods rely on the assumption that target models have high prediction consistency with source models. However, we demonstrate that it doesn't generalize well in practice. To alleviate the inconsistency issue, we present TailoredBench, a method that conducts customized evaluation tailored to each target model. Specifically, a Global-coreset is first constructed as a probe to identify the most consistent source models for each target model with an adaptive source model selection strategy. Afterwards, a scalable K-Medoids clustering algorithm is proposed to extend the Global-coreset to a tailored Native-coreset for each target model. According to the predictions on Native-coresets, we obtain the performance of target models on the whole benchmark with a calibrated estimation strategy. Comprehensive experiments on 5 benchmarks across over 300 models demonstrate that compared to best performing baselines, TailoredBench achieves an average reduction of 31.4% in MAE of accuracy estimates under the same inference budgets, showcasing strong effectiveness and generalizability.
Authors: Xin Li, Anand Sarwate
Abstract: However, real-world data often exhibit complex local structures that can be challenging for single-model approaches with a smooth global manifold in the embedding space to unravel. In this work, we conjecture that in the latent space of these large language models, the embeddings live in a local manifold structure with different dimensions depending on the perplexities and domains of the input data, commonly referred to as a Stratified Manifold structure, which in combination form a structured space known as a Stratified Space. To investigate the validity of this structural claim, we propose an analysis framework based on a Mixture-of-Experts (MoE) model where each expert is implemented with a simple dictionary learning algorithm at varying sparsity levels. By incorporating an attention-based soft-gating network, we verify that our model learns specialized sub-manifolds for an ensemble of input data sources, reflecting the semantic stratification in LLM embedding space. We further analyze the intrinsic dimensions of these stratified sub-manifolds and present extensive statistics on expert assignments, gating entropy, and inter-expert distances. Our experimental results demonstrate that our method not only validates the claim of a stratified manifold structure in the LLM embedding space, but also provides interpretable clusters that align with the intrinsic semantic variations of the input data.
Authors: Jan-Hendrik Ewers, David Cormack, Joe Gibbs, David Anderson
Abstract: The research addresses sensor task management for radar systems, focusing on efficiently searching and tracking multiple targets using reinforcement learning. The approach develops a 3D simulation environment with an active electronically scanned array radar, using a multi-target tracking algorithm to improve observation data quality. Three neural network architectures were compared including an approach using fated recurrent units with multi-headed self-attention. Two pre-training techniques were applied: behavior cloning to approximate a random search strategy and an auto-encoder to pre-train the feature extractor. Experimental results revealed that search performance was relatively consistent across most methods. The real challenge emerged in simultaneously searching and tracking targets. The multi-headed self-attention architecture demonstrated the most promising results, highlighting the potential of sequence-capable architectures in handling dynamic tracking scenarios. The key contribution lies in demonstrating how reinforcement learning can optimize sensor management, potentially improving radar systems' ability to identify and track multiple targets in complex environments.
Authors: Ziming Hong, Yongli Xiang, Tongliang Liu
Abstract: Over the past decades, researchers have primarily focused on improving the generalization abilities of models, with limited attention given to regulating such generalization. However, the ability of models to generalize to unintended data (e.g., harmful or unauthorized data) can be exploited by malicious adversaries in unforeseen ways, potentially resulting in violations of model ethics. Non-transferable learning (NTL), a task aimed at reshaping the generalization abilities of deep learning models, was proposed to address these challenges. While numerous methods have been proposed in this field, a comprehensive review of existing progress and a thorough analysis of current limitations remain lacking. In this paper, we bridge this gap by presenting the first comprehensive survey on NTL and introducing NTLBench, the first benchmark to evaluate NTL performance and robustness within a unified framework. Specifically, we first introduce the task settings, general framework, and criteria of NTL, followed by a summary of NTL approaches. Furthermore, we emphasize the often-overlooked issue of robustness against various attacks that can destroy the non-transferable mechanism established by NTL. Experiments conducted via NTLBench verify the limitations of existing NTL methods in robustness. Finally, we discuss the practical applications of NTL, along with its future directions and associated challenges.
Authors: Or Raphael Bidusa, Shaul Markovitch
Abstract: The opaque nature of Large Language Models (LLMs) has led to significant research efforts aimed at enhancing their interpretability, primarily through post-hoc methods. More recent in-hoc approaches, such as Concept Bottleneck Models (CBMs), offer both interpretability and intervenability by incorporating explicit concept representations. However, these methods suffer from key limitations, including reliance on labeled concept datasets and significant architectural modifications that challenges re-integration into existing system pipelines. In this work, we introduce a new methodology for incorporating interpretability and intervenability into an existing model by integrating Concept Layers (CLs) into its architecture. Our approach projects the model's internal vector representations into a conceptual, explainable vector space before reconstructing and feeding them back into the model. Furthermore, we eliminate the need for a human-selected concept set by algorithmically searching an ontology for a set of concepts that can be either task-specific or task-agnostic. We evaluate CLs across multiple tasks, demonstrating that they maintain the original model's performance and agreement while enabling meaningful interventions. Additionally, we present a proof of concept showcasing an intervenability interface, allowing users to adjust model behavior dynamically, such as mitigating biases during inference.
Authors: Julian Vexler, Bj\"orn Vieten, Martin Nelke, Stefan Kramer
Abstract: We present CavePerception, a framework for the analysis of sparse data from sensor networks that incorporates elements of inverse modeling and forward modeling. By integrating machine learning with physical modeling in a hypotheses space, we aim to improve the interpretability of sparse, noisy, and potentially incomplete sensor data. The framework assumes data from a two-dimensional sensor network laid out in a graph structure that detects certain objects, with certain motion patterns. Examples of such sensors are magnetometers. Given knowledge about the objects and the way they act on the sensors, one can develop a data generator that produces data from simulated motions of the objects across the sensor field. The framework uses the simulated data to infer object behaviors across the sensor network. The approach is experimentally tested on real-world data, where magnetometers are used on an airport to detect and identify aircraft motions. Experiments demonstrate the value of integrating inverse and forward modeling, enabling intelligent systems to better understand and predict complex, sensor-driven events.
Authors: Maya Bechler-Speicher, Moshe Eliasof, Carola-Bibiane Schonlieb, Ran Gilad-Bachrach, Amir Globerson
Abstract: Message-Passing Graph Neural Networks (GNNs) are known to have limited expressive power, due to their message passing structure. One mechanism for circumventing this limitation is to add unique node identifiers (IDs), which break the symmetries that underlie the expressivity limitation. In this work, we highlight a key limitation of the ID framework, and propose an approach for addressing it. We begin by observing that the final output of the GNN should clearly not depend on the specific IDs used. We then show that in practice this does not hold, and thus the learned network does not possess this desired structural property. Such invariance to node IDs may be enforced in several ways, and we discuss their theoretical properties. We then propose a novel regularization method that effectively enforces ID invariance to the network. Extensive evaluations on both real-world and synthetic tasks demonstrate that our approach significantly improves ID invariance and, in turn, often boosts generalization performance.
Authors: Konstantin Yakovlev, Nikita Puchkin
Abstract: We examine theoretical properties of the denoising score matching estimate. We model the density of observations with a nonparametric Gaussian mixture. We significantly relax the standard manifold assumption allowing the samples step away from the manifold. At the same time, we are still able to leverage a nice distribution structure. We derive non-asymptotic bounds on the approximation and generalization errors of the denoising score matching estimate. The rates of convergence are determined by the intrinsic dimension. Furthermore, our bounds remain valid even if we allow the ambient dimension grow polynomially with the sample size.
Authors: Kasper Green Larsen, Natascha Schalburg
Abstract: We prove the first generalization bound for large-margin halfspaces that is asymptotically tight in the tradeoff between the margin, the fraction of training points with the given margin, the failure probability and the number of training points.
Authors: Juyuan Zhang, Wei Zhu, Jiechao Gao
Abstract: Despite the success of Transformer-based models in the time-series prediction (TSP) tasks, the existing Transformer architecture still face limitations and the literature lacks comprehensive explorations into alternative architectures. To address these challenges, we propose AutoFormer-TS, a novel framework that leverages a comprehensive search space for Transformer architectures tailored to TSP tasks. Our framework introduces a differentiable neural architecture search (DNAS) method, AB-DARTS, which improves upon existing DNAS approaches by enhancing the identification of optimal operations within the architecture. AutoFormer-TS systematically explores alternative attention mechanisms, activation functions, and encoding operations, moving beyond the traditional Transformer design. Extensive experiments demonstrate that AutoFormer-TS consistently outperforms state-of-the-art baselines across various TSP benchmarks, achieving superior forecasting accuracy while maintaining reasonable training efficiency.
Authors: Takashi Morita
Abstract: Human and animal memory for sequentially presented items is well-documented to be more accurate for those at the beginning and end of a sequence, phenomena known as the primacy and recency effects, respectively. By contrast, artificial neural network (ANN) models are typically designed with a memory that decays monotonically over time. Accordingly, ANNs are expected to show the recency effect but not the primacy effect. Contrary to this theoretical expectation, however, the present study reveals a counterintuitive finding: a recently developed ANN architecture, called structured state-space models, exhibits the primacy effect when trained and evaluated on a synthetic task that mirrors psychological memory experiments. Given that this model was originally designed for recovering neuronal activity patterns observed in biological brains, this result provides a novel perspective on the psychological primacy effect while also posing a non-trivial puzzle for the current theories in machine learning.
Authors: Wentao Yu
Abstract: Since heterogeneity presents a fundamental challenge in graph federated learning, many existing methods are proposed to deal with node feature heterogeneity and structure heterogeneity. However, they overlook the critical homophily heterogeneity, which refers to the substantial variation in homophily levels across graph data from different clients. The homophily level represents the proportion of edges connecting nodes that belong to the same class. Due to adapting to their local homophily, local models capture inconsistent spectral properties across different clients, significantly reducing the effectiveness of collaboration. Specifically, local models trained on graphs with high homophily tend to capture low-frequency information, whereas local models trained on graphs with low homophily tend to capture high-frequency information. To effectively deal with homophily heterophily, we introduce the spectral Graph Neural Network (GNN) and propose a novel Federated learning method by mining Graph Spectral Properties (FedGSP). On one hand, our proposed FedGSP enables clients to share generic spectral properties (i.e., low-frequency information), allowing all clients to benefit through collaboration. On the other hand, inspired by our theoretical findings, our proposed FedGSP allows clients to complement non-generic spectral properties by acquiring the spectral properties they lack (i.e., high-frequency information), thereby obtaining additional information gain. Extensive experiments conducted on six homophilic and five heterophilic graph datasets, across both non-overlapping and overlapping settings, validate the superiority of our method over eleven state-of-the-art methods. Notably, our FedGSP outperforms the second-best method by an average margin of 3.28% on all heterophilic datasets.
Authors: Xinwei Shen, Nicolai Meinshausen, Tong Zhang
Abstract: Learning complex distributions is a fundamental challenge in contemporary applications. Generative models, such as diffusion models, have demonstrated remarkable success in overcoming many limitations of traditional statistical methods. Shen and Meinshausen (2024) introduced engression, a generative approach based on scoring rules that maps noise (and covariates, if available) directly to data. While effective, engression struggles with highly complex distributions, such as those encountered in image data. In this work, we extend engression to improve its capability in learning complex distributions. We propose a framework that defines a general forward process transitioning from the target distribution to a known distribution (e.g., Gaussian) and then learns a reverse Markov process using multiple engression models. This reverse process reconstructs the target distribution step by step. Our approach supports general forward processes, allows for dimension reduction, and naturally discretizes the generative process. As a special case, when using a diffusion-based forward process, our framework offers a method to discretize the training and inference of diffusion models efficiently. Empirical evaluations on simulated and climate data validate our theoretical insights, demonstrating the effectiveness of our approach in capturing complex distributions.
Authors: Junqi Jiang, Luca Marzari, Aaryan Purohit, Francesco Leofante
Abstract: The increasing use of Machine Learning (ML) models to aid decision-making in high-stakes industries demands explainability to facilitate trust. Counterfactual Explanations (CEs) are ideally suited for this, as they can offer insights into the predictions of an ML model by illustrating how changes in its input data may lead to different outcomes. However, for CEs to realise their explanatory potential, significant challenges remain in ensuring their robustness under slight changes in the scenario being explained. Despite the widespread recognition of CEs' robustness as a fundamental requirement, a lack of standardised tools and benchmarks hinders a comprehensive and effective comparison of robust CE generation methods. In this paper, we introduce RobustX, an open-source Python library implementing a collection of CE generation and evaluation methods, with a focus on the robustness property. RobustX provides interfaces to several existing methods from the literature, enabling streamlined access to state-of-the-art techniques. The library is also easily extensible, allowing fast prototyping of novel robust CE generation and evaluation methods.
Authors: Th\'eo Hanon, Nicolas Mil-Homens Cavaco, John Kiely, Laurent Jacques
Abstract: Representing and processing data in spherical domains presents unique challenges, primarily due to the curvature of the domain, which complicates the application of classical Euclidean techniques. Implicit neural representations (INRs) have emerged as a promising alternative for high-fidelity data representation; however, to effectively handle spherical domains, these methods must be adapted to the inherent geometry of the sphere to maintain both accuracy and stability. In this context, we propose Herglotz-NET (HNET), a novel INR architecture that employs a harmonic positional encoding based on complex Herglotz mappings. This encoding yields a well-posed representation on the sphere with interpretable and robust spectral properties. Moreover, we present a unified expressivity analysis showing that any spherical-based INR satisfying a mild condition exhibits a predictable spectral expansion that scales with network depth. Our results establish HNET as a scalable and flexible framework for accurate modeling of spherical data.
Authors: Yifei Yang, Zouying Cao, Xinbei Ma, Yao Yao, Libo Qin, Zhi Chen, Hai Zhao
Abstract: Training Large Language Models (LLMs) from scratch requires immense computational resources, making it prohibitively expensive. Model scaling-up offers a promising solution by leveraging the parameters of smaller models to create larger ones. However, existing depth scaling-up methods rely on empirical heuristic rules for layer duplication, which result in poorer initialization and slower convergence during continual pre-training. We propose \textbf{LESA}, a novel learnable method for depth scaling-up. By concatenating parameters from each layer and applying Singular Value Decomposition, we uncover latent patterns between layers, suggesting that inter-layer parameters can be learned. LESA uses a neural network to predict the parameters inserted between adjacent layers, enabling better initialization and faster training. Experiments show that LESA outperforms existing baselines, achieving superior performance with less than half the computational cost during continual pre-training. Extensive analyses demonstrate its effectiveness across different model sizes and tasks.
Authors: Charly Pecqueux-Gu\'ez\'enec, St\'ephane Doncieux, Nicolas Perrin-Gilbert
Abstract: Goal-Conditioned Reinforcement Learning (GCRL) provides a versatile framework for developing unified controllers capable of handling wide ranges of tasks, exploring environments, and adapting behaviors. However, its reliance on trial-and-error poses challenges for real-world applications, as errors can result in costly and potentially damaging consequences. To address the need for safer learning, we propose a method that enables agents to learn goal-conditioned behaviors that explore without the risk of making harmful mistakes. Exploration without risks can seem paradoxical, but environment dynamics are often uniform in space, therefore a policy trained for safety without exploration purposes can still be exploited globally. Our proposed approach involves two distinct phases. First, during a pretraining phase, we employ safe reinforcement learning and distributional techniques to train a safety policy that actively tries to avoid failures in various situations. In the subsequent safe exploration phase, a goal-conditioned (GC) policy is learned while ensuring safety. To achieve this, we implement an action-selection mechanism leveraging the previously learned distributional safety critics to arbitrate between the safety policy and the GC policy, ensuring safe exploration by switching to the safety policy when needed. We evaluate our method in simulated environments and demonstrate that it not only provides substantial coverage of the goal space but also reduces the occurrence of mistakes to a minimum, in stark contrast to traditional GCRL approaches. Additionally, we conduct an ablation study and analyze failure modes, offering insights for future research directions.
Authors: Lucas Torroba-Hennigen, Hunter Lang, Han Guo, Yoon Kim
Abstract: We study memory-efficient optimization of neural networks with linear gradient transformations, where the gradients are linearly mapped to a lower dimensional space than the full parameter space, thus saving memory required for gradient accumulation and optimizer state persistence. The model parameters are updated by first performing an optimization step in the lower dimensional space and then going back into the original parameter space via the linear map's transpose. We show that optimizing the model in this transformed space is equivalent to reparameterizing the original model through a linear adapter that additively modifies the model parameters, and then only optimizing the adapter's parameters. When the transformation is Kronecker-factored, this establishes an equivalence between GaLore and one-sided LoRA. We show that this duality between gradient transformations and adapter-based reparameterizations unifies existing approaches to memory-efficient training and suggests new techniques for improving training efficiency and memory use.
Authors: Yousef El-Laham, Niccolo Dalmasso, Svitlana Vyetrenko, Vamsi Potluru, Manuela Veloso
Abstract: In recent years, mixup regularization has gained popularity as an effective way to improve the generalization performance of deep learning models by training on convex combinations of training data. While many mixup variants have been explored, the proper adoption of the technique to conditional density estimation and probabilistic machine learning remains relatively unexplored. This work introduces a novel framework for mixup regularization based on probabilistic fusion that is better suited for conditional density estimation tasks. For data distributed according to a member of the exponential family, we show that likelihood functions can be analytically fused using log-linear pooling. We further propose an extension of probabilistic mixup, which allows for fusion of inputs at an arbitrary intermediate layer of the neural network. We provide a theoretical analysis comparing our approach to standard mixup variants. Empirical results on synthetic and real datasets demonstrate the benefits of our proposed framework compared to existing mixup variants.
Authors: Ali Mohammad-Djafari
Abstract: Inverse problems arise almost everywhere in science and engineering where we need to infer on a quantity from indirect observation. The cases of medical, biomedical, and industrial imaging systems are the typical examples. A very high overview of classification of the inverse problems method can be: i) Analytical, ii) Regularization, and iii) Bayesian inference methods. Even if there are straight links between them, we can say that the Bayesian inference based methods are the most powerful, as they give the possibility of accounting for prior knowledge and can account for errors and uncertainties in general. One of the main limitations stay in computational costs in particular for high dimensional imaging systems. Neural Networks (NN), and in particular Deep NNs (DNN), have been considered as a way to push farther this limit. Physics Informed Neural Networks (PINN) concept integrates physical laws with deep learning techniques to enhance the speed, accuracy and efficiency of the above mentioned problems. In this work, a new Bayesian framework for the concept of PINN (BPINN) is presented and discussed which includes the deterministic one if we use the Maximum A Posteriori (MAP) estimation framework. We consider two cases of supervised and unsupervised for training step, obtain the expressions of the posterior probability of the unknown variables, and deduce the posterior laws of the NN's parameters. We also discuss about the challenges of implementation of these methods in real applications.
Authors: Milton Nicol\'as Plasencia Palacios, Sebastiano Saccani, Gabriele Sgroi, Alexander Boudewijn, Luca Bortolussi
Abstract: Synthetic data has garnered attention as a Privacy Enhancing Technology (PET) in sectors such as healthcare and finance. When using synthetic data in practical applications, it is important to provide protection guarantees. In the literature, two family of approaches are proposed for tabular data: on the one hand, Similarity-based methods aim at finding the level of similarity between training and synthetic data. Indeed, a privacy breach can occur if the generated data is consistently too similar or even identical to the train data. On the other hand, Attack-based methods conduce deliberate attacks on synthetic datasets. The success rates of these attacks reveal how secure the synthetic datasets are. In this paper, we introduce a contrastive method that improves privacy assessment of synthetic datasets by embedding the data in a more representative space. This overcomes obstacles surrounding the multitude of data types and attributes. It also makes the use of intuitive distance metrics possible for similarity measurements and as an attack vector. In a series of experiments with publicly available datasets, we compare the performances of similarity-based and attack-based methods, both with and without use of the contrastive learning-based embeddings. Our results show that relatively efficient, easy to implement privacy metrics can perform equally well as more advanced metrics explicitly modeling conditions for privacy referred to by the GDPR.
Authors: Peter Carragher, Abhinand Jha, R Raghav, Kathleen M. Carley
Abstract: Large Language Models (LLMs) demonstrate remarkable capabilities in question answering (QA), but metrics for assessing their reliance on memorization versus retrieval remain underdeveloped. Moreover, while finetuned models are state-of-the-art on closed-domain tasks, general-purpose models like GPT-4o exhibit strong zero-shot performance. This raises questions about the trade-offs between memorization, generalization, and retrieval. In this work, we analyze the extent to which multimodal retrieval-augmented VLMs memorize training data compared to baseline VLMs. Using the WebQA benchmark, we contrast finetuned models with baseline VLMs on multihop retrieval and question answering, examining the impact of finetuning on data memorization. To quantify memorization in end-to-end retrieval and QA systems, we propose several proxy metrics by investigating instances where QA succeeds despite retrieval failing. Our results reveal the extent to which finetuned models rely on memorization. In contrast, retrieval-augmented VLMs have lower memorization scores, at the cost of accuracy (72% vs 52% on WebQA test set). As such, our measures pose a challenge for future work to reconcile memorization and generalization in both Open-Domain QA and joint Retrieval-QA tasks.
Authors: Justin Singh Kang, Landon Butler, Abhineet Agarwal, Yigit Efe Erginbas, Ramtin Pedarsani, Kannan Ramchandran, Bin Yu
Abstract: Large language models (LLMs) have revolutionized machine learning due to their ability to capture complex interactions between input features. Popular post-hoc explanation methods like SHAP provide marginal feature attributions, while their extensions to interaction importances only scale to small input lengths ($\approx 20$). We propose Spectral Explainer (SPEX), a model-agnostic interaction attribution algorithm that efficiently scales to large input lengths ($\approx 1000)$. SPEX exploits underlying natural sparsity among interactions -- common in real-world data -- and applies a sparse Fourier transform using a channel decoding algorithm to efficiently identify important interactions. We perform experiments across three difficult long-context datasets that require LLMs to utilize interactions between inputs to complete the task. For large inputs, SPEX outperforms marginal attribution methods by up to 20% in terms of faithfully reconstructing LLM outputs. Further, SPEX successfully identifies key features and interactions that strongly influence model output. For one of our datasets, HotpotQA, SPEX provides interactions that align with human annotations. Finally, we use our model-agnostic approach to generate explanations to demonstrate abstract reasoning in closed-source LLMs (GPT-4o mini) and compositional reasoning in vision-language models.
Authors: Matthew P. Wilson, Edward O. Pyzer-Knapp, Nicolas Galichet, Luke Dicks
Abstract: Pretrained foundation models learn embeddings that can be used for a wide range of downstream tasks. These embeddings optimise general performance, and if insufficiently accurate at a specific task the model can be fine-tuned to improve performance. For all current methodologies this operation necessarily degrades performance on all out-of-distribution tasks. In this work we present 'fill-tuning', a novel methodology to generate datasets for continued pretraining of foundation models that are not suited to a particular downstream task, but instead aim to correct poor regions of the embedding. We present the application of roughness analysis to latent space topologies and illustrate how it can be used to propose data that will be most valuable to improving the embedding. We apply fill-tuning to a set of state-of-the-art materials foundation models trained on $O(10^9)$ data points and show model improvement of almost 1% in all downstream tasks with the addition of only 100 data points. This method provides a route to the general improvement of foundation models at the computational cost of fine-tuning.
Authors: Zack Xuereb Conti, David J Wagg, Nick Pepper
Abstract: Mathematical descriptions of dynamical systems are deeply rooted in topological spaces defined by non-Euclidean geometry. This paper proposes leveraging structure-rich geometric spaces for machine learning to achieve structural generalization when modeling physical systems from data, in contrast to embedding physics bias within model-free architectures. We consider model generalization to be a function of symmetry, invariance and uniqueness, defined as a topological mapping from state space dynamics to the parameter space. We illustrate this view through the machine learning of linear time-invariant dynamical systems, whose dynamics reside on the symmetric positive definite manifold.
Authors: Antoine Moulin, Gergely Neu, Luca Viano
Abstract: We study the problem of reinforcement learning in infinite-horizon discounted linear Markov decision processes (MDPs), and propose the first computationally efficient algorithm achieving near-optimal regret guarantees in this setting. Our main idea is to combine two classic techniques for optimistic exploration: additive exploration bonuses applied to the reward function, and artificial transitions made to an absorbing state with maximal return. We show that, combined with a regularized approximate dynamic-programming scheme, the resulting algorithm achieves a regret of order $\tilde{\mathcal{O}} (\sqrt{d^3 (1 - \gamma)^{- 7 / 2} T})$, where $T$ is the total number of sample transitions, $\gamma \in (0,1)$ is the discount factor, and $d$ is the feature dimensionality. The results continue to hold against adversarial reward sequences, enabling application of our method to the problem of imitation learning in linear MDPs, where we achieve state-of-the-art results.
Authors: Saksham Kiroriwal, Julius Pfrommer, J\"urgen Beyerer
Abstract: To reduce the curse of dimensionality for Gaussian processes (GP), they can be decomposed into a Gaussian Process Network (GPN) of coupled subprocesses with lower dimensionality. In some cases, intermediate observations are available within the GPN. However, intermediate observations are often indirect, noisy, and incomplete in most real-world systems. This work introduces the Partially Observable Gaussian Process Network (POGPN) to model real-world process networks. We model a joint distribution of latent functions of subprocesses and make inferences using observations from all subprocesses. POGPN incorporates observation lenses (observation likelihoods) into the well-established inference method of deep Gaussian processes. We also introduce two training methods for POPGN to make inferences on the whole network using node observations. The application to benchmark problems demonstrates how incorporating partial observations during training and inference can improve the predictive performance of the overall network, offering a promising outlook for its practical application.
Authors: Guilherme Palma, Pedro A. Santos, Jo\~ao Dias
Abstract: Hex and Counter Wargames are adversarial two-player simulations of real military conflicts requiring complex strategic decision-making. Unlike classical board games, these games feature intricate terrain/unit interactions, unit stacking, large maps of varying sizes, and simultaneous move and combat decisions involving hundreds of units. This paper introduces a novel system designed to address the strategic complexity of Hex and Counter Wargames by integrating cutting-edge advancements in Recurrent Neural Networks with AlphaZero, a reliable modern Reinforcement Learning algorithm. The system utilizes a new Neural Network architecture developed from existing research, incorporating innovative state and action representations tailored to these specific game environments. With minimal training, our solution has shown promising results in typical scenarios, demonstrating the ability to generalize across different terrain and tactical situations. Additionally, we explore the system's potential to scale to larger map sizes. The developed system is openly accessible, facilitating continued research and exploration within this challenging domain.
Authors: Jiahao Gai (Mark), Hao (Mark), Chen, Zhican Wang, Hongyu Zhou, Wanru Zhao, Nicholas Lane, Hongxiang Fan
Abstract: Recent advances in code generation have illuminated the potential of employing large language models (LLMs) for general-purpose programming languages such as Python and C++, opening new opportunities for automating software development and enhancing programmer productivity. The potential of LLMs in software programming has sparked significant interest in exploring automated hardware generation and automation. Although preliminary endeavors have been made to adopt LLMs in generating hardware description languages (HDLs), several challenges persist in this direction. First, the volume of available HDL training data is substantially smaller compared to that for software programming languages. Second, the pre-trained LLMs, mainly tailored for software code, tend to produce HDL designs that are more error-prone. Third, the generation of HDL requires a significantly higher number of tokens compared to software programming, leading to inefficiencies in cost and energy consumption. To tackle these challenges, this paper explores leveraging LLMs to generate High-Level Synthesis (HLS)-based hardware design. Although code generation for domain-specific programming languages is not new in the literature, we aim to provide experimental results, insights, benchmarks, and evaluation infrastructure to investigate the suitability of HLS over low-level HDLs for LLM-assisted hardware design generation. To achieve this, we first finetune pre-trained models for HLS-based hardware generation, using a collected dataset with text prompts and corresponding reference HLS designs. An LLM-assisted framework is then proposed to automate end-to-end hardware code generation, which also investigates the impact of chain-of-thought and feedback loops promoting techniques on HLS-design generation. Limited by the timeframe of this research, we plan to evaluate more advanced reasoning models in the future.
Authors: Michael Luo, Xiaoxiang Shi, Colin Cai, Tianjun Zhang, Justin Wong, Yichuan Wang, Chi Wang, Yanping Huang, Zhifeng Chen, Joseph E. Gonzalez, Ion Stoica
Abstract: Large language model (LLM) applications are evolving beyond simple chatbots into dynamic, general-purpose agentic programs, which scale LLM calls and output tokens to help AI agents reason, explore, and solve complex tasks. However, existing LLM serving systems ignore dependencies between programs and calls, missing significant opportunities for optimization. Our analysis reveals that programs submitted to LLM serving engines experience long cumulative wait times, primarily due to head-of-line blocking at both the individual LLM request and the program. To address this, we introduce Autellix, an LLM serving system that treats programs as first-class citizens to minimize their end-to-end latencies. Autellix intercepts LLM calls submitted by programs, enriching schedulers with program-level context. We propose two scheduling algorithms-for single-threaded and distributed programs-that preempt and prioritize LLM calls based on their programs' previously completed calls. Our evaluation demonstrates that across diverse LLMs and agentic workloads, Autellix improves throughput of programs by 4-15x at the same latency compared to state-of-the-art systems, such as vLLM.
Authors: Jun Zhuang, Chaowen Guan
Abstract: In the era of noisy intermediate-scale quantum (NISQ) computing, Quantum Neural Networks (QNNs) have emerged as a promising approach for various applications, yet their training is often hindered by barren plateaus (BPs), where gradient variance vanishes exponentially as the model size increases. To address this challenge, we propose a new Large Language Model (LLM)-driven search framework, AdaInit, that iteratively searches for optimal initial parameters of QNNs to maximize gradient variance and therefore mitigate BPs. Unlike conventional one-time initialization methods, AdaInit dynamically refines QNN's initialization using LLMs with adaptive prompting. Theoretical analysis of the Expected Improvement (EI) proves a supremum for the search, ensuring this process can eventually identify the optimal initial parameter of the QNN. Extensive experiments across four public datasets demonstrate that AdaInit significantly enhances QNN's trainability compared to classic initialization methods, validating its effectiveness in mitigating BPs.
Authors: Yuze Zhao, Tianyun Ji, Wenjun Feng, Zhenya Huang, Qi Liu, Zhiding Liu, Yixiao Ma, Kai Zhang, Enhong Chen
Abstract: The reasoning abilities are one of the most enigmatic and captivating aspects of large language models (LLMs). Numerous studies are dedicated to exploring and expanding the boundaries of this reasoning capability. However, tasks that embody both reasoning and recall characteristics are often overlooked. In this paper, we introduce such a novel task, code reasoning, to provide a new perspective for the reasoning abilities of LLMs. We summarize three meta-benchmarks based on established forms of logical reasoning, and instantiate these into eight specific benchmark tasks. Our testing on these benchmarks reveals that LLMs continue to struggle with identifying satisfactory reasoning pathways. Additionally, we present a new pathway exploration pipeline inspired by human intricate problem-solving methods. This Reflective Hypothesis Decomposition and Amendment (RHDA) pipeline consists of the following iterative steps: (1) Proposing potential hypotheses based on observations and decomposing them; (2) Utilizing tools to validate hypotheses and reflection outcomes; (3) Revising hypothesis in light of observations. Our approach effectively mitigates logical chain collapses arising from forgetting or hallucination issues in multi-step reasoning, resulting in performance gains of up to $3\times$. Finally, we expanded this pipeline by applying it to simulate complex household tasks in real-world scenarios, specifically in VirtualHome, enhancing the handling of failure cases. We release our code and all of results at https://github.com/TnTWoW/code_reasoning.
Authors: Muhammad Fahad Zia, Sri Harish Kalidass
Abstract: Phishing is the most prevalent type of cyber-attack today and is recognized as the leading source of data breaches with significant consequences for both individuals and corporations. Web-based phishing attacks are the most frequent with vectors such as social media posts and emails containing links to phishing URLs that once clicked on render host systems vulnerable to more sinister attacks. Research efforts to detect phishing URLs have involved the use of supervised learning techniques that use large amounts of data to train models and have high computational requirements. They also involve analysis of features derived from vectors including email contents thus affecting user privacy. Additionally, they suffer from a lack of resilience against evolution of threats especially with the advent of generative AI techniques to bypass these systems as with AI-generated phishing URLs. Unsupervised methods such as clustering techniques have also been used in phishing detection in the past, however, they are at times unscalable due to the use of pair-wise comparisons. They also lack high detection rates while detecting phishing campaigns. In this paper, we propose an unsupervised learning approach that is not only fast but scalable, as it does not involve pair-wise comparisons. It is able to detect entire campaigns at a time with a high detection rate while preserving user privacy; this includes the recent surge of campaigns with targeted phishing URLs generated by malicious entities using generative AI techniques.
Authors: Darius Couchard, Oscar Olarte, Rob Haelterman
Abstract: Gas Chromatography coupled with Ion Mobility Spectrometry (GC-IMS) is a dual-separation analytical technique widely used for identifying components in gaseous samples by separating and analysing the arrival times of their constituent species. Data generated by GC-IMS is typically represented as two-dimensional spectra, providing rich information but posing challenges for data-driven analysis due to limited labelled datasets. This study introduces a novel method for generating synthetic 2D spectra using a deep learning framework based on Autoencoders. Although applied here to GC-IMS data, the approach is broadly applicable to any two-dimensional spectral measurements where labelled data are scarce. While performing component classification over a labelled dataset of GC-IMS records, the addition of synthesized records significantly has improved the classification performance, demonstrating the method's potential for overcoming dataset limitations in machine learning frameworks.
Authors: Xin Wang, Juntao Yang, Jeff Adie, Simon See, Kalli Furtado, Chen Chen, Troy Arcomano, Romit Maulik, Gianmarco Mengaldo
Abstract: Accurate and efficient climate simulations are crucial for understanding Earth's evolving climate. However, current general circulation models (GCMs) face challenges in capturing unresolved physical processes, such as cloud and convection. A common solution is to adopt cloud resolving models, that provide more accurate results than the standard subgrid parametrisation schemes typically used in GCMs. However, cloud resolving models, also referred to as super paramtetrizations, remain computationally prohibitive. Hybrid modeling, which integrates deep learning with equation-based GCMs, offers a promising alternative but often struggles with long-term stability and accuracy issues. In this work, we find that water vapor oversaturation during condensation is a key factor compromising the stability of hybrid models. To address this, we introduce CondensNet, a novel neural network architecture that embeds a self-adaptive physical constraint to correct unphysical condensation processes. CondensNet effectively mitigates water vapor oversaturation, enhancing simulation stability while maintaining accuracy and improving computational efficiency compared to super parameterization schemes. We integrate CondensNet into a GCM to form PCNN-GCM (Physics-Constrained Neural Network GCM), a hybrid deep learning framework designed for long-term stable climate simulations in real-world conditions, including ocean and land. PCNN-GCM represents a significant milestone in hybrid climate modeling, as it shows a novel way to incorporate physical constraints adaptively, paving the way for accurate, lightweight, and stable long-term climate simulations.
Authors: Julien Aubert (UniCA), Louis K\"ohler (LMO, LMO), Luc Leh\'ericy (LMO, LMO), Giulia Mezzadri, Patricia Reynaud-Bouret
Abstract: Learning for animals or humans is the process that leads to behaviors better adapted to the environment. This process highly depends on the individual that learns and is usually observed only through the individual's actions. This article presents ways to use this individual behavioral data to find the model that best explains how the individual learns. We propose two model selection methods: a general hold-out procedure and an AIC-type criterion, both adapted to non-stationary dependent data. We provide theoretical error bounds for these methods that are close to those of the standard i.i.d. case. To compare these approaches, we apply them to contextual bandit models and illustrate their use on both synthetic and experimental learning data in a human categorization task.
Authors: Anastasia Psarou, Ahmet Onur Akman, {\L}ukasz Gorczyca, Micha{\l} Hoffmann, Zolt\'an Gy\"orgy Varga, Grzegorz Jamr\'oz, Rafa{\l} Kucharski
Abstract: Autonomous vehicles (AVs) using Multi-Agent Reinforcement Learning (MARL) for simultaneous route optimization may destabilize traffic environments, with human drivers possibly experiencing longer travel times. We study this interaction by simulating human drivers and AVs. Our experiments with standard MARL algorithms reveal that, even in trivial cases, policies often fail to converge to an optimal solution or require long training periods. The problem is amplified by the fact that we cannot rely entirely on simulated training, as there are no accurate models of human routing behavior. At the same time, real-world training in cities risks destabilizing urban traffic systems, increasing externalities, such as $CO_2$ emissions, and introducing non-stationarity as human drivers adapt unpredictably to AV behaviors. Centralization can improve convergence in some cases, however, it raises privacy concerns for the travelers' destination data. In this position paper, we argue that future research must prioritize realistic benchmarks, cautious deployment strategies, and tools for monitoring and regulating AV routing behaviors to ensure sustainable and equitable urban mobility systems.
Authors: Giorgio Franceschelli, Mirco Musolesi
Abstract: Despite the increasing use of large language models for creative tasks, their outputs often lack diversity. Common solutions, such as sampling at higher temperatures, can compromise the quality of the results. Drawing on information theory, we propose a context-based score to quantitatively evaluate value and originality. This score incentivizes accuracy and adherence to the request while fostering divergence from the learned distribution. We propose using our score as a reward in a reinforcement learning framework to fine-tune large language models for maximum performance. We validate our strategy through experiments in poetry generation and math problem solving, demonstrating that it enhances the value and originality of the generated solutions.
Authors: Yen-Siang Wu, Chi-Pin Huang, Fu-En Yang, Yu-Chiang Frank Wang
Abstract: Text-to-video (T2V) diffusion models have shown promising capabilities in synthesizing realistic videos from input text prompts. However, the input text description alone provides limited control over the precise objects movements and camera framing. In this work, we tackle the motion customization problem, where a reference video is provided as motion guidance. While most existing methods choose to fine-tune pre-trained diffusion models to reconstruct the frame differences of the reference video, we observe that such strategy suffer from content leakage from the reference video, and they cannot capture complex motion accurately. To address this issue, we propose MotionMatcher, a motion customization framework that fine-tunes the pre-trained T2V diffusion model at the feature level. Instead of using pixel-level objectives, MotionMatcher compares high-level, spatio-temporal motion features to fine-tune diffusion models, ensuring precise motion learning. For the sake of memory efficiency and accessibility, we utilize a pre-trained T2V diffusion model, which contains considerable prior knowledge about video motion, to compute these motion features. In our experiments, we demonstrate state-of-the-art motion customization performances, validating the design of our framework.
Authors: Ludvig Doeser, Metin Ata, Jens Jasche
Abstract: Making the most of next-generation galaxy clustering surveys requires overcoming challenges in complex, non-linear modelling to access the significant amount of information at smaller cosmological scales. Field-level inference has provided a unique opportunity beyond summary statistics to use all of the information of the galaxy distribution. However, addressing current challenges often necessitates numerical modelling that incorporates non-differentiable components, hindering the use of efficient gradient-based inference methods. In this paper, we introduce Learning the Universe by Learning to Optimize (LULO), a gradient-free framework for reconstructing the 3D cosmic initial conditions. Our approach advances deep learning to train an optimization algorithm capable of fitting state-of-the-art non-differentiable simulators to data at the field level. Importantly, the neural optimizer solely acts as a search engine in an iterative scheme, always maintaining full physics simulations in the loop, ensuring scalability and reliability. We demonstrate the method by accurately reconstructing initial conditions from $M_{200\mathrm{c}}$ halos identified in a dark matter-only $N$-body simulation with a spherical overdensity algorithm. The derived dark matter and halo overdensity fields exhibit $\geq80\%$ cross-correlation with the ground truth into the non-linear regime $k \sim 1h$ Mpc$^{-1}$. Additional cosmological tests reveal accurate recovery of the power spectra, bispectra, halo mass function, and velocities. With this work, we demonstrate a promising path forward to non-linear field-level inference surpassing the requirement of a differentiable physics model.
Authors: Hankang Gu, Shangbo Wang, Dongyao Jia, Yuli Zhang, Yanrong Luo, Guoqiang Mao, Jianping Wang, Eng Gee Lim
Abstract: Adaptive Traffic Signal Control (ATSC) has become a popular research topic in intelligent transportation systems. Regional Traffic Signal Control (RTSC) using the Multi-agent Deep Reinforcement Learning (MADRL) technique has become a promising approach for ATSC due to its ability to achieve the optimum trade-off between scalability and optimality. Most existing RTSC approaches partition a traffic network into several disjoint regions, followed by applying centralized reinforcement learning techniques to each region. However, the pursuit of cooperation among RTSC agents still remains an open issue and no communication strategy for RTSC agents has been investigated. In this paper, we propose communication strategies to capture the correlation of micro-traffic states among lanes and the correlation of macro-traffic states among intersections. We first justify the evolution equation of the RTSC process is Markovian via a system of store-and-forward queues. Next, based on the evolution equation, we propose two GAT-Aggregated (GA2) communication modules--GA2-Naive and GA2-Aug to extract both intra-region and inter-region correlations between macro and micro traffic states. While GA2-Naive only considers the movements at each intersection, GA2-Aug also considers the lane-changing behavior of vehicles. Two proposed communication modules are then aggregated into two existing novel RTSC frameworks--RegionLight and Regional-DRL. Experimental results demonstrate that both GA2-Naive and GA2-Aug effectively improve the performance of existing RTSC frameworks under both real and synthetic scenarios. Hyperparameter testing also reveals the robustness and potential of our communication modules in large-scale traffic networks.
Authors: Alfredo Braunstein, Louise Budzynski, Matteo Mariani, Federico Ricci-Tersenghi
Abstract: In Bayesian inference, computing the posterior distribution from the data is typically a non-trivial problem, which usually requires approximations such as mean-field approaches or numerical methods, like the Monte Carlo Markov Chain. Being a high-dimensional distribution over a set of correlated variables, the posterior distribution can undergo the notorious replica symmetry breaking transition. When it happens, several mean-field methods and virtually every Monte Carlo scheme can not provide a reasonable approximation to the posterior and its marginals. Replica symmetry is believed to be guaranteed whenever the data is generated with known prior and likelihood distributions, namely under the so-called Nishimori conditions. In this paper, we break this belief, by providing a counter-example showing that, under the Nishimori conditions, replica symmetry breaking arises. Introducing a simple, geometrical model that can be thought of as a patient zero retrieval problem in a highly infectious regime of the epidemic Susceptible-Infectious model, we show that under the Nishimori conditions, there is evidence of replica symmetry breaking. We achieve this result by computing the instability of the replica symmetric cavity method toward the one step replica symmetry broken phase. The origin of this phenomenon -- replica symmetry breaking under the Nishimori conditions -- is likely due to the correlated disorder appearing in the epidemic models.
Authors: Yingqian Cui, Pengfei He, Jingying Zeng, Hui Liu, Xianfeng Tang, Zhenwei Dai, Yan Han, Chen Luo, Jing Huang, Zhen Li, Suhang Wang, Yue Xing, Jiliang Tang, Qi He
Abstract: Chain-of-Thought (CoT) reasoning, which breaks down complex tasks into intermediate reasoning steps, has significantly enhanced the performance of large language models (LLMs) on challenging tasks. However, the detailed reasoning process in CoT often incurs long generation times and high computational costs, partly due to the inclusion of unnecessary steps. To address this, we propose a method to identify critical reasoning steps using perplexity as a measure of their importance: a step is deemed critical if its removal causes a significant increase in perplexity. Our method enables models to focus solely on generating these critical steps. This can be achieved through two approaches: refining demonstration examples in few-shot CoT or fine-tuning the model using selected examples that include only critical steps. Comprehensive experiments validate the effectiveness of our method, which achieves a better balance between the reasoning accuracy and efficiency of CoT.
Authors: Ramaravind Kommiya Mothilal, Faisal M. Lalani, Syed Ishtiaque Ahmed, Shion Guha, Sharifa Sultana
Abstract: The reference to assumptions in how practitioners use or interact with machine learning (ML) systems is ubiquitous in HCI and responsible ML discourse. However, what remains unclear from prior works is the conceptualization of assumptions and how practitioners identify and handle assumptions throughout their workflows. This leads to confusion about what assumptions are and what needs to be done with them. We use the concept of an argument from Informal Logic, a branch of Philosophy, to offer a new perspective to understand and explicate the confusions surrounding assumptions. Through semi-structured interviews with 22 ML practitioners, we find what contributes most to these confusions is how independently assumptions are constructed, how reactively and reflectively they are handled, and how nebulously they are recorded. Our study brings the peripheral discussion of assumptions in ML to the center and presents recommendations for practitioners to better think about and work with assumptions.
Authors: Tyler LaBonte, Kuo-Wei Lai, Vidya Muthukumar
Abstract: Modern machine learning methods have recently demonstrated remarkable capability to generalize under task shift, where latent knowledge is transferred to a different, often more difficult, task under a similar data distribution. We investigate this phenomenon in an overparameterized linear regression setting where the task shifts from classification during training to regression during evaluation. In the zero-shot case, wherein no regression data is available, we prove that task shift is impossible in both sparse signal and random signal models for any Gaussian covariate distribution. In the few-shot case, wherein limited regression data is available, we propose a simple postprocessing algorithm which asymptotically recovers the ground-truth predictor. Our analysis leverages a fine-grained characterization of individual parameters arising from minimum-norm interpolation which may be of independent interest. Our results show that while minimum-norm interpolators for classification cannot transfer to regression a priori, they experience surprisingly structured attenuation which enables successful task shift with limited additional data.
Authors: Soumi Das, Camila Kolling, Mohammad Aflah Khan, Mahsa Amani, Bishwamittra Ghosh, Qinyuan Wu, Till Speicher, Krishna P. Gummadi
Abstract: We study the inherent trade-offs in minimizing privacy risks and maximizing utility, while maintaining high computational efficiency, when fine-tuning large language models (LLMs). A number of recent works in privacy research have attempted to mitigate privacy risks posed by memorizing fine-tuning data by using differentially private training methods (e.g., DP), albeit at a significantly higher computational cost (inefficiency). In parallel, several works in systems research have focussed on developing (parameter) efficient fine-tuning methods (e.g., LoRA), but few works, if any, investigated whether such efficient methods enhance or diminish privacy risks. In this paper, we investigate this gap and arrive at a surprising conclusion: efficient fine-tuning methods like LoRA mitigate privacy risks similar to private fine-tuning methods like DP. Our empirical finding directly contradicts prevailing wisdom that privacy and efficiency objectives are at odds during fine-tuning. Our finding is established by (a) carefully defining measures of privacy and utility that distinguish between memorizing sensitive and non-sensitive tokens in training and test datasets used in fine-tuning and (b) extensive evaluations using multiple open-source language models from Pythia, Gemma, and Llama families and different domain-specific datasets.
Authors: Kianusch Vahid Yousefnia, Tobias B\"olle, Christoph Metzl
Abstract: While numerical weather prediction (NWP) models are essential for forecasting thunderstorms hours in advance, NWP uncertainty, which increases with lead time, limits the predictability of thunderstorm occurrence. This study investigates how ensemble NWP data and machine learning (ML) can enhance the skill of thunderstorm forecasts. Using our recently introduced neural network model, SALAMA 1D, which identifies thunderstorm occurrence in operational forecasts of the convection-permitting ICON-D2-EPS model for Central Europe, we demonstrate that ensemble-averaging significantly improves forecast skill. Notably, an 11-hour ensemble forecast matches the skill level of a 5-hour deterministic forecast. To explain this improvement, we derive an analytic expression linking skill differences to correlations between ensemble members, which aligns with observed performance gains. This expression generalizes to any binary classification model that processes ensemble members individually. Additionally, we show that ML models like SALAMA 1D can identify patterns of thunderstorm occurrence which remain predictable for longer lead times compared to raw NWP output. Our findings quantitatively explain the benefits of ensemble-averaging and encourage the development of ML methods for thunderstorm forecasting and beyond.
Authors: Dhananjay Ashok, Jonathan May
Abstract: Autoregressive Language Models output text by sequentially predicting the next token to generate, with modern methods like Chain-of-Thought (CoT) prompting achieving state-of-the-art reasoning capabilities by scaling the number of generated tokens. However, are there times when we can infer how the model will behave (e.g. abstain from answering a question) early in the computation, making generation unnecessary? We show that internal representation of input tokens alone can often precisely predict, not just the next token, but eventual behavior over the entire output sequence. We leverage this capacity and learn probes on internal states to create early warning (and exit) systems. Specifically, if the probes can confidently estimate the way the LM is going to behave, then the system will avoid generating tokens altogether and return the estimated behavior instead. On 27 text classification datasets spanning five different tasks, we apply this method to estimate the eventual answer of an LM under CoT prompting, reducing inference costs by 65% (average) while suffering an accuracy loss of no more than 1.4% (worst case). We demonstrate the potential of this method to pre-emptively identify when a model will abstain from answering a question, fail to follow output format specifications, or give a low-confidence response. We explore the limits of this capability, showing that probes generalize to unseen datasets, but perform worse when LM outputs are longer and struggle to predict properties that require access to knowledge that the models themselves lack. Encouragingly, performance scales with model size, suggesting applicability to the largest of models
Authors: Anil Kamat, Rahul Rahul, Anirban Dutta, Lora Cavuoto, Uwe Kruger, Harry Burke, Matthew Hackett, Jack Norfleet, Steven Schwaitzberg, Suvranu De
Abstract: Objective motor skill assessment plays a critical role in fields such as surgery, where proficiency is vital for certification and patient safety. Existing assessment methods, however, rely heavily on subjective human judgment, which introduces bias and limits reproducibility. While recent efforts have leveraged kinematic data and neural imaging to provide more objective evaluations, these approaches often overlook the dynamic neural mechanisms that differentiate expert and novice performance. This study proposes a novel method for motor skill assessment based on dynamic directed functional connectivity (dFC) as a neural biomarker. By using electroencephalography (EEG) to capture brain dynamics and employing an attention-based Long Short-Term Memory (LSTM) model for non-linear Granger causality analysis, we compute dFC among key brain regions involved in psychomotor tasks. Coupled with hierarchical task analysis (HTA), our approach enables subtask-level evaluation of motor skills, offering detailed insights into neural coordination that underpins expert proficiency. A convolutional neural network (CNN) is then used to classify skill levels, achieving greater accuracy and specificity than established performance metrics in laparoscopic surgery. This methodology provides a reliable, objective framework for assessing motor skills, contributing to the development of tailored training protocols and enhancing the certification process.
Authors: Chunhui Zhang, Yiren Jian, Zhongyu Ouyang, Soroush Vosoughi
Abstract: Developing video captioning models is computationally expensive. The dynamic nature of video also complicates the design of multimodal models that can effectively caption these sequences. However, we find that by using minimal computational resources and without complex modifications to address video dynamics, an image-based model can be repurposed to outperform several specialised video captioning systems. Our adapted model demonstrates top tier performance on major benchmarks, ranking 2nd on MSRVTT and MSVD, and 3rd on VATEX. We transform it into a competitive video captioner by post training a typical image captioning model BLIP2 with only 6,000 video text pairs and simply concatenating frames (significantly fewer data than other methods), which use 2.5 to 144 million pairs. From a resource optimization perspective, this video captioning study focuses on three fundamental factors: optimizing model scale, maximizing data efficiency, and incorporating reinforcement learning. This extensive study demonstrates that a lightweight, image based adaptation strategy can rival state-of-the-art video captioning systems, offering a practical solution for low-resource scenarios.
Authors: Ameesh Shah, Niklas Lauffer, Thomas Chen, Nikhil Pitta, Sanjit A. Seshia
Abstract: One approach for improving sample efficiency in cooperative multi-agent learning is to decompose overall tasks into sub-tasks that can be assigned to individual agents. We study this problem in the context of reward machines: symbolic tasks that can be formally decomposed into sub-tasks. In order to handle settings without a priori knowledge of the environment, we introduce a framework that can learn the optimal decomposition from model-free interactions with the environment. Our method uses a task-conditioned architecture to simultaneously learn an optimal decomposition and the corresponding agents' policies for each sub-task. In doing so, we remove the need for a human to manually design the optimal decomposition while maintaining the sample-efficiency benefits of improved credit assignment. We provide experimental results in several deep reinforcement learning settings, demonstrating the efficacy of our approach. Our results indicate that our approach succeeds even in environments with codependent agent dynamics, enabling synchronous multi-agent learning not achievable in previous works.
Authors: Linzhuang Sun, Hao Liang, Jingxuan Wei, Bihui Yu, Tianpeng Li, Fan Yang, Zenan Zhou, Wentao Zhang
Abstract: According to the Test-Time Scaling, the integration of External Slow-Thinking with the Verify mechanism has been demonstrated to enhance multi-round reasoning in large language models (LLMs). However, in the multimodal (MM) domain, there is still a lack of a strong MM-Verifier. In this paper, we introduce MM-Verifier and MM-Reasoner to enhance multimodal reasoning through longer inference and more robust verification. First, we propose a two-step MM verification data synthesis method, which combines a simulation-based tree search with verification and uses rejection sampling to generate high-quality Chain-of-Thought (COT) data. This data is then used to fine-tune the verification model, MM-Verifier. Additionally, we present a more efficient method for synthesizing MMCOT data, bridging the gap between text-based and multimodal reasoning. The synthesized data is used to fine-tune MM-Reasoner. Our MM-Verifier outperforms all larger models on the MathCheck, MathVista, and MathVerse benchmarks. Moreover, MM-Reasoner demonstrates strong effectiveness and scalability, with performance improving as data size increases. Finally, our approach achieves strong performance when combining MM-Reasoner and MM-Verifier, reaching an accuracy of 65.3 on MathVista, surpassing GPT-4o (63.8) with 12 rollouts.
Authors: Gangle Sun, Mengyao Cao, Wenjin Wang, Wei Xu, Christoph Studer
Abstract: Grant-free transmission and cell-free communication are vital in improving coverage and quality-of-service for massive machine-type communication. This paper proposes a novel framework of joint active user detection, channel estimation, and data detection (JACD) for massive grant-free transmission in cell-free wireless communication systems. We formulate JACD as an optimization problem and solve it approximately using forward-backward splitting. To deal with the discrete symbol constraint, we relax the discrete constellation to its convex hull and propose two approaches that promote solutions from the constellation set. To reduce complexity, we replace costly computations with approximate shrinkage operations and approximate posterior mean estimator computations. To improve active user detection (AUD) performance, we introduce a soft-output AUD module that considers both the data estimates and channel conditions. To jointly optimize all algorithm hyper-parameters and to improve JACD performance, we further deploy deep unfolding together with a momentum strategy, resulting in two algorithms called DU-ABC and DU-POEM. Finally, we demonstrate the efficacy of the proposed JACD algorithms via extensive system simulations.
Authors: Tianye Huang, Aopeng Li, Xiang Li, Jing Zhang, Sijing Xian, Qi Zhang, Mingkong Lu, Guodong Chen, Liangming Xiong, Xiangyun Hu
Abstract: Distributed acoustic sensor (DAS) technology leverages optical fiber cables to detect acoustic signals, providing cost-effective and dense monitoring capabilities. It offers several advantages including resistance to extreme conditions, immunity to electromagnetic interference, and accurate detection. However, DAS typically exhibits a lower signal-to-noise ratio (S/N) compared to geophones and is susceptible to various noise types, such as random noise, erratic noise, level noise, and long-period noise. This reduced S/N can negatively impact data analyses containing inversion and interpretation. While artificial intelligence has demonstrated excellent denoising capabilities, most existing methods rely on supervised learning with labeled data, which imposes stringent requirements on the quality of the labels. To address this issue, we develop a label-free unsupervised learning (UL) network model based on Context-Pyramid-UNet (CP-UNet) to suppress erratic and random noises in DAS data. The CP-UNet utilizes the Context Pyramid Module in the encoding and decoding process to extract features and reconstruct the DAS data. To enhance the connectivity between shallow and deep features, we add a Connected Module (CM) to both encoding and decoding section. Layer Normalization (LN) is utilized to replace the commonly employed Batch Normalization (BN), accelerating the convergence of the model and preventing gradient explosion during training. Huber-loss is adopted as our loss function whose parameters are experimentally determined. We apply the network to both the 2-D synthetic and filed data. Comparing to traditional denoising methods and the latest UL framework, our proposed method demonstrates superior noise reduction performance.
Authors: Heiko Hoffmann, Richard Hoffmann
Abstract: Robotic assembly tasks require object-pose estimation, particularly for tasks that avoid costly mechanical constraints. Object symmetry complicates the direct mapping of sensory input to object rotation, as the rotation becomes ambiguous and lacks a unique training target. Some proposed solutions involve evaluating multiple pose hypotheses against the input or predicting a probability distribution, but these approaches suffer from significant computational overhead. Here, we show that representing object rotation with a neural population code overcomes these limitations, enabling a direct mapping to rotation and end-to-end learning. As a result, population codes facilitate fast and accurate pose estimation. On the T-LESS dataset, we achieve inference in 3.2 milliseconds on an Apple M1 CPU and a Maximum Symmetry-Aware Surface Distance accuracy of 84.7% using only gray-scale image input, compared to 69.7% accuracy when directly mapping to pose.
Authors: Yifei Xu, Tusher Chakraborty, Emre K{\i}c{\i}man, Bibek Aryal, Eduardo Rodrigues, Srinagesh Sharma, Roberto Estevao, Maria Angels de Luis Balaguer, Jessica Wolk, Rafael Padilha, Leonardo Nunes, Shobana Balakrishnan, Songwu Lu, Ranveer Chandra
Abstract: Fine-tuning large language models (LLMs) to align with user preferences is challenging due to the high cost of quality human annotations in Reinforcement Learning from Human Feedback (RLHF) and the generalizability limitations of AI Feedback. To address these challenges, we propose RLTHF, a human-AI hybrid framework that combines LLM-based initial alignment with selective human annotations to achieve full-human annotation alignment with minimal effort. RLTHF identifies hard-to-annotate samples mislabeled by LLMs using a reward model's reward distribution and iteratively enhances alignment by integrating strategic human corrections while leveraging LLM's correctly labeled samples. Evaluations on HH-RLHF and TL;DR datasets show that RLTHF reaches full-human annotation-level alignment with only 6-7% of the human annotation effort. Furthermore, models trained on RLTHF's curated datasets for downstream tasks outperform those trained on fully human-annotated datasets, underscoring the effectiveness of RLTHF's strategic data curation.
Authors: Hao Ma, Shijie Wang, Zhiqiang Pu, Siyao Zhao, Xiaolin Ai
Abstract: Guiding the policy of multi-agent reinforcement learning to align with human common sense is a difficult problem, largely due to the complexity of modeling common sense as a reward, especially in complex and long-horizon multi-agent tasks. Recent works have shown the effectiveness of reward shaping, such as potential-based rewards, to enhance policy alignment. The existing works, however, primarily rely on experts to design rule-based rewards, which are often labor-intensive and lack a high-level semantic understanding of common sense. To solve this problem, we propose a hierarchical vision-based reward shaping method. At the bottom layer, a visual-language model (VLM) serves as a generic potential function, guiding the policy to align with human common sense through its intrinsic semantic understanding. To help the policy adapts to uncertainty and changes in long-horizon tasks, the top layer features an adaptive skill selection module based on a visual large language model (vLLM). The module uses instructions, video replays, and training records to dynamically select suitable potential function from a pre-designed pool. Besides, our method is theoretically proven to preserve the optimal policy. Extensive experiments conducted in the Google Research Football environment demonstrate that our method not only achieves a higher win rate but also effectively aligns the policy with human common sense.
Authors: Jialin Ouyang
Abstract: Large language models (LLMs) now achieve near-human performance on standard math word problem benchmarks (e.g., GSM8K), yet their true reasoning ability remains disputed. A key concern is that models often produce confident, yet unfounded, answers to unanswerable problems. We introduce TreeCut, a synthetic dataset that systematically generates infinite unanswerable math word problems and their answerable counterparts, by representing each question as a tree and removing chosen necessary conditions. Experiments show TreeCut effectively induce hallucinations in large language models, including GPT-4o and o3-mini, with rates of 61% and 42% in their respective worst-case scenarios. Further analysis highlights that deeper or more complex trees, composite item names, and removing necessary condition near the middle of a path all increase the likelihood of hallucinations, underscoring the persistent challenges LLMs face in identifying unanswerable math problems.
Authors: Vaibhav Aggarwal, Shabari S Nair, Yash Verma, Yash Jogi
Abstract: Recent research on word-level confidence estimation for speech recognition systems has primarily focused on lightweight models known as Confidence Estimation Modules (CEMs), which rely on hand-engineered features derived from Automatic Speech Recognition (ASR) outputs. In contrast, we propose a novel end-to-end approach that leverages the ASR model itself (Whisper) to generate word-level confidence scores. Specifically, we introduce a method in which the Whisper model is fine-tuned to produce scalar confidence scores given an audio input and its corresponding hypothesis transcript. Our experiments demonstrate that the fine-tuned Whisper-tiny model, comparable in size to a strong CEM baseline, achieves similar performance on the in-domain dataset and surpasses the CEM baseline on eight out-of-domain datasets, whereas the fine-tuned Whisper-large model consistently outperforms the CEM baseline by a substantial margin across all datasets.
Authors: Xiaofei Wen, Wenxuan Zhou, Wenjie Jacky Mo, Muhao Chen
Abstract: Ensuring the safety of large language models (LLMs) is critical as they are deployed in real-world applications. Existing guardrails rely on rule-based filtering or single-pass classification, limiting their ability to handle nuanced safety violations. To address this, we propose ThinkGuard, a critique-augmented guardrail model that distills knowledge from high-capacity LLMs by generating structured critiques alongside safety labels. Fine-tuned on critique-augmented data, the captured deliberative thinking ability drastically enhances the guardrail's cautiousness and interpretability. Evaluated on multiple safety benchmarks, ThinkGuard achieves the highest average F1 and AUPRC, outperforming all baselines. Compared to LLaMA Guard 3, ThinkGuard improves accuracy by 16.1% and macro F1 by 27.0%. Moreover, it surpasses label-only fine-tuned models, confirming that structured critiques enhance both classification precision and nuanced safety reasoning while maintaining computational efficiency.
Authors: Ehab Ghannoum, Mohammad Ghafari
Abstract: Deep learning models have gained popularity for conducting various tasks involving source code. However, their black-box nature raises concerns about potential risks. One such risk is a poisoning attack, where an attacker intentionally contaminates the training set with malicious samples to mislead the model's predictions in specific scenarios. To protect source code models from poisoning attacks, we introduce CodeGarrison (CG), a hybrid deep-learning model that relies on code embeddings to identify poisoned code samples. We evaluated CG against the state-of-the-art technique ONION for detecting poisoned samples generated by DAMP, MHM, ALERT, as well as a novel poisoning technique named CodeFooler. Results showed that CG significantly outperformed ONION with an accuracy of 93.5%. We also tested CG's robustness against unknown attacks and achieved an average accuracy of 85.6% in identifying poisoned samples across the four attacks mentioned above.
Authors: Naci Saldi, Serdar Yuksel
Abstract: We introduce a novel topology, called Kernel Mean Embedding Topology, for stochastic kernels, in a weak and strong form. This topology, defined on the spaces of Bochner integrable functions from a signal space to a space of probability measures endowed with a Hilbert space structure, allows for a versatile formulation. This construction allows one to obtain both a strong and weak formulation. (i) For its weak formulation, we highlight the utility on relaxed policy spaces, and investigate connections with the Young narrow topology and Borkar (or \( w^* \))-topology, and establish equivalence properties. We report that, while both the \( w^* \)-topology and kernel mean embedding topology are relatively compact, they are not closed. Conversely, while the Young narrow topology is closed, it lacks relative compactness. (ii) We show that the strong form provides an appropriate formulation for placing topologies on spaces of models characterized by stochastic kernels with explicit robustness and learning theoretic implications on optimal stochastic control under discounted or average cost criteria. (iii) We show that this topology possesses several properties making it ideal to study optimality, approximations, robustness and continuity properties. In particular, the kernel mean embedding topology has a Hilbert space structure, which is particularly useful for approximating stochastic kernels through simulation data.
Authors: Chen-An Li, Tzu-Han Lin, Yun-Nung Chen, Hung-yi Lee
Abstract: Large vision-language models (LVLMs) perform outstandingly across various multimodal tasks. However, their ability to evaluate generated content remains limited, and training vision-language reward models (VLRMs) with preference data is computationally expensive. This paper explores a training-free alternative by merging text-based reward models (RMs) with LVLMs to create VLRMs. Our approach shows that integrating these models leads to improved performance over LVLMs' scoring and text-based RMs, offering an efficient method for incorporating textual preferences into LVLMs.
Authors: Ding Ning, Varvara Vetrova, S\'ebastien Delaux, Rachael Tappenden, Karin R. Bryan, Yun Sing Koh
Abstract: Marine heatwaves (MHWs) are extreme ocean-temperature events with significant impacts on marine ecosystems and related industries. Accurate forecasts (one to six months ahead) of MHWs would aid in mitigating these impacts. However, forecasting MHWs presents a challenging imbalanced regression task due to the rarity of extreme temperature anomalies in comparison to more frequent moderate conditions. In this study, we examine monthly MHW forecasts for 12 locations around New Zealand. We use a fully-connected neural network and compare standard and specialized regression loss functions, including the mean squared error (MSE), the mean absolute error (MAE), the Huber, the weighted MSE, the focal-R, the balanced MSE, and a proposed scaling-weighted MSE. Results show that (i) short lead times (one month) are considerably more predictable than three- and six-month leads, (ii) models trained with the standard MSE or MAE losses excel at forecasting average conditions but struggle to capture extremes, and (iii) specialized loss functions such as the balanced MSE and our scaling-weighted MSE substantially improve forecasting of MHW and suspected MHW events. These findings underscore the importance of tailored loss functions for imbalanced regression, particularly in forecasting rare but impactful events such as MHWs.
Authors: Ziwei Chen, Jiawen Shen, Luna, Kristen Vaccaro
Abstract: Recent work has highlighted the risks of LLM-generated content for a wide range of harmful behaviors, including incorrect and harmful code. In this work, we extend this by studying whether LLM-generated web design contains dark patterns. This work evaluated designs of ecommerce web components generated by four popular LLMs: Claude, GPT, Gemini, and Llama. We tested 13 commonly used ecommerce components (e.g., search, product reviews) and used them as prompts to generate a total of 312 components across all models. Over one-third of generated components contain at least one dark pattern. The majority of dark pattern strategies involve hiding crucial information, limiting users' actions, and manipulating them into making decisions through a sense of urgency. Dark patterns are also more frequently produced in components that are related to company interests. These findings highlight the need for interventions to prevent dark patterns during front-end code generation with LLMs and emphasize the importance of expanding ethical design education to a broader audience.
Authors: Burc Gokden
Abstract: We show that Large Language Model from Power Law Decoder Representations (PLDR-LLM) is a foundational model whose deductive outputs are invariant tensors up to a small perturbation. PLDR-LLM learns a singularity condition for the deductive outputs that enable the once-inferred energy-curvature tensor $\mathbf{G}_{LM}$ to replace the deep neural network of power law graph attention (PLGA) generating the deductive outputs at inference. We demonstrate that a cache for $\mathbf{G}_{LM}$ (G-cache) and KV-cache can be implemented in a straightforward manner to improve the inference time. The invariance and generalizable nature of deductive outputs is at a very high fidelity where deductive outputs have same RMSE and determinant values up to 15 decimal places after caching, and zero-shot benchmark scores remain unchanged. Ablation studies show that learned deductive outputs have distinct loss and accuracy characteristics from models pretrained with transferred, randomly initialized or identity tensors as a constant tensor operator and an LLM with scaled-dot product attention (SDPA) is a special case of PLDR-LLM where $\mathbf{G}_{LM}$ is predefined as identity. The observed invariance characteristic introduces a novel asymmetry between training and inference phases with caching. We outline observed common characteristics of the deductive outputs for the learned singularity condition. We provide an implementation of a training and inference framework for PLDR-LLM with KV-cache and G-cache.
Authors: Shuai Niu, Jing Ma, Hongzhan Lin, Liang Bai, Zhihua Wang, Wei Bi, Yida Xu, Guo Li, Xian Yang
Abstract: Large language models (LLMs) have shown remarkable performance in vision-language tasks, but their application in the medical field remains underexplored, particularly for integrating structured time series data with unstructured clinical notes. In clinical practice, dynamic time series data such as lab test results capture critical temporal patterns, while clinical notes provide rich semantic context. Merging these modalities is challenging due to the inherent differences between continuous signals and discrete text. To bridge this gap, we introduce ProMedTS, a novel self-supervised multimodal framework that employs prompt-guided learning to unify these heterogeneous data types. Our approach leverages lightweight anomaly detection to generate anomaly captions that serve as prompts, guiding the encoding of raw time series data into informative embeddings. These embeddings are aligned with textual representations in a shared latent space, preserving fine-grained temporal nuances alongside semantic insights. Furthermore, our framework incorporates tailored self-supervised objectives to enhance both intra- and inter-modal alignment. We evaluate ProMedTS on disease diagnosis tasks using real-world datasets, and the results demonstrate that our method consistently outperforms state-of-the-art approaches.
Authors: Wei Dai, Steven Wang, Jun Liu
Abstract: Efficient evaluation of three-dimensional (3D) medical images is crucial for diagnostic and therapeutic practices in healthcare. Recent years have seen a substantial uptake in applying deep learning and computer vision to analyse and interpret medical images. Traditional approaches, such as convolutional neural networks (CNNs) and vision transformers (ViTs), face significant computational challenges, prompting the need for architectural advancements. Recent efforts have led to the introduction of novel architectures like the ``Mamba'' model as alternative solutions to traditional CNNs or ViTs. The Mamba model excels in the linear processing of one-dimensional data with low computational demands. However, Mamba's potential for 3D medical image analysis remains underexplored and could face significant computational challenges as the dimension increases. This manuscript presents MobileViM, a streamlined architecture for efficient segmentation of 3D medical images. In the MobileViM network, we invent a new dimension-independent mechanism and a dual-direction traversing approach to incorporate with a vision-Mamba-based framework. MobileViM also features a cross-scale bridging technique to improve efficiency and accuracy across various medical imaging modalities. With these enhancements, MobileViM achieves segmentation speeds exceeding 90 frames per second (FPS) on a single graphics processing unit (i.e., NVIDIA RTX 4090). This performance is over 24 FPS faster than the state-of-the-art deep learning models for processing 3D images with the same computational resources. In addition, experimental evaluations demonstrate that MobileViM delivers superior performance, with Dice similarity scores reaching 92.72%, 86.69%, 80.46%, and 77.43% for PENGWIN, BraTS2024, ATLAS, and Toothfairy2 datasets, respectively, which significantly surpasses existing models.
Authors: Guang Ping He
Abstract: The Harrow-Hassidim-Lloyd (HHL) algorithm offers exponential speedup for solving the quantum linear-system problem. But some caveats for the speedup could be hard to met. One of the difficulties is the encoding bottleneck, i.e., the efficient preparation of the initial quantum state. To prepare an arbitrary $N$-dimensional state exactly, existing state-preparation approaches generally require a runtime of $O(N)$, which will ruin the speedup of the HHL algorithm. Here we show that the states can be prepared approximately with a runtime of $O(poly(\log N))$ by employing a slightly modified version of the HHL algorithm itself. Thus, applying this approach to prepare the initial state of the original HHL algorithm can preserve the exponential speedup advantage. It can also serve as a standalone solution for other applications demanding rapid state preparation.
Authors: Antoine Chatalic, Marco Letizia, Nicolas Schreuder, and Lorenzo Rosasco
Abstract: Two-sample hypothesis testing-determining whether two sets of data are drawn from the same distribution-is a fundamental problem in statistics and machine learning with broad scientific applications. In the context of nonparametric testing, maximum mean discrepancy (MMD) has gained popularity as a test statistic due to its flexibility and strong theoretical foundations. However, its use in large-scale scenarios is plagued by high computational costs. In this work, we use a Nystr\"om approximation of the MMD to design a computationally efficient and practical testing algorithm while preserving statistical guarantees. Our main result is a finite-sample bound on the power of the proposed test for distributions that are sufficiently separated with respect to the MMD. The derived separation rate matches the known minimax optimal rate in this setting. We support our findings with a series of numerical experiments, emphasizing realistic scientific data.
Authors: Hongliang Qiao
Abstract: The Influence Maximization (IM) problem aims to find a small set of influential users to maximize their influence spread in a social network. Traditional methods rely on fixed diffusion models with known parameters, limiting their generalization to real-world scenarios. In contrast, graph representation learning-based methods have gained wide attention for overcoming this limitation by learning user representations to capture influence characteristics. However, existing studies are built on Euclidean space, which fails to effectively capture the latent hierarchical features of social influence distribution. As a result, users' influence spread cannot be effectively measured through the learned representations. To alleviate these limitations, we propose HIM, a novel diffusion model agnostic method that leverages hyperbolic representation learning to estimate users' potential influence spread from social propagation data. HIM consists of two key components. First, a hyperbolic influence representation module encodes influence spread patterns from network structure and historical influence activations into expressive hyperbolic user representations. Hence, the influence magnitude of users can be reflected through the geometric properties of hyperbolic space, where highly influential users tend to cluster near the space origin. Second, a novel adaptive seed selection module is developed to flexibly and effectively select seed users using the positional information of learned user representations. Extensive experiments on five network datasets demonstrate the superior effectiveness and efficiency of our method for the IM problem with unknown diffusion model parameters, highlighting its potential for large-scale real-world social networks.
Authors: Ching-Hua Lee, Chouchang Yang, Jaejin Cho, Yashas Malur Saidutta, Rakshith Sharma Srinivasa, Yilin Shen, Hongxia Jin
Abstract: Denoising diffusion probabilistic models (DDPMs) can be utilized for recovering a clean signal from its degraded observation(s) by conditioning the model on the degraded signal. The degraded signals are themselves contaminated versions of the clean signals; due to this correlation, they may encompass certain useful information about the target clean data distribution. However, existing adoption of the standard Gaussian as the prior distribution in turn discards such information, resulting in sub-optimal performance. In this paper, we propose to improve conditional DDPMs for signal restoration by leveraging a more informative prior that is jointly learned with the diffusion model. The proposed framework, called RestoreGrad, seamlessly integrates DDPMs into the variational autoencoder framework and exploits the correlation between the degraded and clean signals to encode a better diffusion prior. On speech and image restoration tasks, we show that RestoreGrad demonstrates faster convergence (5-10 times fewer training steps) to achieve better quality of restored signals over existing DDPM baselines, and improved robustness to using fewer sampling steps in inference time (2-2.5 times fewer), advocating the advantages of leveraging jointly learned prior for efficiency improvements in the diffusion process.
Authors: Yupeng Hou, Jianmo Ni, Zhankui He, Noveen Sachdeva, Wang-Cheng Kang, Ed H. Chi, Julian McAuley, Derek Zhiyuan Cheng
Abstract: Generative recommendation (GR) is an emerging paradigm where user actions are tokenized into discrete token patterns and autoregressively generated as predictions. However, existing GR models tokenize each action independently, assigning the same fixed tokens to identical actions across all sequences without considering contextual relationships. This lack of context-awareness can lead to suboptimal performance, as the same action may hold different meanings depending on its surrounding context. To address this issue, we propose ActionPiece to explicitly incorporate context when tokenizing action sequences. In ActionPiece, each action is represented as a set of item features, which serve as the initial tokens. Given the action sequence corpora, we construct the vocabulary by merging feature patterns as new tokens, based on their co-occurrence frequency both within individual sets and across adjacent sets. Considering the unordered nature of feature sets, we further introduce set permutation regularization, which produces multiple segmentations of action sequences with the same semantics. Experiments on public datasets demonstrate that ActionPiece consistently outperforms existing action tokenization methods, improving NDCG@$10$ by $6.00\%$ to $12.82\%$.
Authors: Dario Garcia-Gasulla, Anna Arias-Duart, Adrian Tormos, Daniel Hinjos, Oscar Molina-Sedano, Ashwin Kumar Gururajan, Maria Eugenia Cardello
Abstract: Direct Preference Optimization (DPO) is an efficient alignment technique that steers LLMs towards preferable outputs by training on preference data, bypassing the need for explicit reward models. Its simplicity enables easy adaptation to various domains and safety requirements. This paper examines DPO's effectiveness in model safety against jailbreaking attacks while minimizing data requirements and training costs. We introduce Egida, a dataset expanded from multiple sources, which includes 27 different safety topics and 18 different attack styles, complemented with synthetic and human labels. This data is used to boost the safety of state-of-the-art LLMs (Llama-3.1-8B/70B-Instruct, Qwen-2.5-7B/72B-Instruct) across topics and attack styles. In addition to safety evaluations, we assess their post-alignment performance degradation in general purpose tasks, and their tendency to over refusal. Following the proposed methodology, trained models reduce their Attack Success Rate by 10%-30%, using small training efforts (2,000 samples) with low computational cost (3\$ for 8B models, 20\$ for 72B models). Safety aligned models generalize to unseen topics and attack styles, with the most successful attack style reaching a success rate around 5%. Size and family are found to strongly influence model malleability towards safety, pointing at the importance of pre-training choices. To validate our findings, a large independent assessment of human preference agreement with Llama-Guard-3-8B is conducted by the authors and the associated dataset Egida-HSafe is released. Overall, this study illustrates how affordable and accessible it is to enhance LLM safety using DPO while outlining its current limitations. All datasets and models are released to enable reproducibility and further research.
Authors: Takuya Matsuyama, Shinji Nishimoto, Yu Takagi
Abstract: Understanding the property of neural populations (or voxels) in the human brain can advance our comprehension of human perceptual and cognitive processing capabilities and contribute to developing brain-inspired computer models. Recent encoding models using deep neural networks (DNNs) have successfully predicted voxel-wise activity. However, interpreting the properties that explain voxel responses remains challenging because of the black-box nature of DNNs. As a solution, we propose LLM-assisted Visual Cortex Captioning (LaVCa), a data-driven approach that uses large language models (LLMs) to generate natural-language captions for images to which voxels are selective. By applying LaVCa for image-evoked brain activity, we demonstrate that LaVCa generates captions that describe voxel selectivity more accurately than the previously proposed method. Furthermore, the captions generated by LaVCa quantitatively capture more detailed properties than the existing method at both the inter-voxel and intra-voxel levels. Furthermore, a more detailed analysis of the voxel-specific properties generated by LaVCa reveals fine-grained functional differentiation within regions of interest (ROIs) in the visual cortex and voxels that simultaneously represent multiple distinct concepts. These findings offer profound insights into human visual representations by assigning detailed captions throughout the visual cortex while highlighting the potential of LLM-based methods in understanding brain representations. Please check out our webpage at https://sites.google.com/view/lavca-llm/
Authors: Dimitris Fotakis, Andreas Kalavas, Ioannis Psarros
Abstract: We initiate a study of a query-driven approach to designing partition trees for range-searching problems. Our model assumes that a data structure is to be built for an unknown query distribution that we can access through a sampling oracle, and must be selected such that it optimizes a meaningful performance parameter on expectation. Our first contribution is to show that a near-linear sample of queries allows the construction of a partition tree with a near-optimal expected number of nodes visited during querying. We enhance this approach by treating node processing as a classification problem, leveraging fast classifiers like shallow neural networks to obtain experimentally efficient query times. Our second contribution is to develop partition trees using sparse geometric separators. Our preprocessing algorithm, based on a sample of queries, builds a balanced tree with nodes associated with separators that minimize query stabs on expectation; this yields both fast processing of each node and a small number of visited nodes, significantly reducing query time.
Authors: Ruida Hu, Chao Peng, Xinchen Wang, Cuiyun Gao
Abstract: Environment configuration is a critical yet time-consuming step in software development, especially when dealing with unfamiliar code repositories. While Large Language Models (LLMs) demonstrate the potential to accomplish software engineering tasks, existing methods for environment configuration often rely on manual efforts or fragile scripts, leading to inefficiencies and unreliable outcomes. We introduce Repo2Run, the first LLM-based agent designed to fully automate environment configuration and generate executable Dockerfiles for arbitrary Python repositories. We address two major challenges: (1) enabling the LLM agent to configure environments within isolated Docker containers, and (2) ensuring the successful configuration process is recorded and accurately transferred to a Dockerfile without error. To achieve this, we propose atomic configuration synthesis, featuring a dual-environment architecture (internal and external environment) with a rollback mechanism to prevent environment "pollution" from failed commands, guaranteeing atomic execution (execute fully or not at all) and a Dockerfile generator to transfer successful configuration steps into runnable Dockerfiles. We evaluate Repo2Run~on our proposed benchmark of 420 recent Python repositories with unit tests, where it achieves an 86.0% success rate, outperforming the best baseline by 63.9%.
Authors: Jusen Du, Weigao Sun, Disen Lan, Jiaxi Hu, Yu Cheng
Abstract: Linear sequence modeling methods, such as linear attention, state space modeling, and linear RNNs, offer significant efficiency improvements by reducing the complexity of training and inference. However, these methods typically compress the entire input sequence into a single fixed-size memory state, which leads to suboptimal performance on recall-intensive downstream tasks. Drawing inspiration from neuroscience, particularly the brain's ability to maintain robust long-term memory while mitigating "memory interference", we introduce a novel architecture called Mixture-of-Memories (MoM). MoM utilizes multiple independent memory states, with a router network directing input tokens to specific memory states. This approach greatly enhances the overall memory capacity while minimizing memory interference. As a result, MoM performs exceptionally well on recall-intensive tasks, surpassing existing linear sequence modeling techniques. Despite incorporating multiple memory states, the computation of each memory state remains linear in complexity, allowing MoM to retain the linear-complexity advantage during training, while constant-complexity during inference. Our experimental results show that MoM significantly outperforms current linear sequence models on downstream language tasks, particularly recall-intensive tasks, and even achieves performance comparable to Transformer models. The code is released at https://github.com/OpenSparseLLMs/MoM and is also released as a part of https://github.com/OpenSparseLLMs/Linear-MoE.
URLs: https://github.com/OpenSparseLLMs/MoM, https://github.com/OpenSparseLLMs/Linear-MoE.
Authors: Osman Furkan Kar, G\"ulce Turhan, Elif Vural
Abstract: While a common assumption in graph signal analysis is the smoothness of the signals or the band-limitedness of their spectrum, in many instances the spectrum of real graph data may be concentrated at multiple regions of the spectrum, possibly including mid-to-high-frequency components. In this work, we propose a novel graph signal model where the signal spectrum is represented through the combination of narrowband kernels in the graph frequency domain. We then present an algorithm that jointly learns the model by optimizing the kernel parameters and the signal representation coefficients from a collection of graph signals. Our problem formulation has the flexibility of permitting the incorporation of signals possibly acquired on different graphs into the learning algorithm. We then theoretically study the signal reconstruction performance of the proposed method, by also elaborating on when joint learning on multiple graphs is preferable to learning an individual model on each graph. Experimental results on several graph data sets shows that the proposed method offers quite satisfactory signal interpolation accuracy in comparison with a variety of reference approaches in the literature.
Authors: Remi Genet
Abstract: Volume-Weighted Average Price (VWAP) is arguably the most prevalent benchmark for trade execution as it provides an unbiased standard for comparing performance across market participants. However, achieving VWAP is inherently challenging due to its dependence on two dynamic factors, volumes and prices. Traditional approaches typically focus on forecasting the market's volume curve, an assumption that may hold true under steady conditions but becomes suboptimal in more volatile environments or markets such as cryptocurrency where prediction error margins are higher. In this study, I propose a deep learning framework that directly optimizes the VWAP execution objective by bypassing the intermediate step of volume curve prediction. Leveraging automatic differentiation and custom loss functions, my method calibrates order allocation to minimize VWAP slippage, thereby fully addressing the complexities of the execution problem. My results demonstrate that this direct optimization approach consistently achieves lower VWAP slippage compared to conventional methods, even when utilizing a naive linear model presented in arXiv:2410.21448. They validate the observation that strategies optimized for VWAP performance tend to diverge from accurate volume curve predictions and thus underscore the advantage of directly modeling the execution objective. This research contributes a more efficient and robust framework for VWAP execution in volatile markets, illustrating the potential of deep learning in complex financial systems where direct objective optimization is crucial. Although my empirical analysis focuses on cryptocurrency markets, the underlying principles of the framework are readily applicable to other asset classes such as equities.
Authors: Nikolaos Dionelis, Jente Bosmans, Nicolas Long\'ep\'e
Abstract: Performing accurate confidence quantification and assessment is important for deep neural networks to predict their failures, improve their performance and enhance their capabilities in real-world applications, for their practical deployment in real life. For pixel-wise regression tasks, confidence quantification and assessment has not been well addressed in the literature, in contrast to classification tasks like semantic segmentation. The softmax output layer is not used in deep neural networks that solve pixel-wise regression problems. In this paper, to address these problems, we develop, train and evaluate the proposed model Confidence-Aware Regression Estimation (CARE). Our model CARE computes and assigns confidence to regression output results. We focus on solving regression problems as downstream tasks of an AI Foundation Model for Earth Observation (EO). We evaluate the proposed model CARE and experimental results on data from the Copernicus Sentinel-2 satellite constellation for estimating the density of buildings show that the proposed method can be successfully applied to regression problems. We also show that our approach outperforms other methods.
Authors: Stas Syrota, Yevgen Zainchkovskyy, Johnny Xi, Benjamin Bloem-Reddy, S{\o}ren Hauberg
Abstract: Deep latent variable models learn condensed representations of data that, hopefully, reflect the inner workings of the studied phenomena. Unfortunately, these latent representations are not statistically identifiable, meaning they cannot be uniquely determined. Domain experts, therefore, need to tread carefully when interpreting these. Current solutions limit the lack of identifiability through additional constraints on the latent variable model, e.g. by requiring labeled training data, or by restricting the expressivity of the model. We change the goal: instead of identifying the latent variables, we identify relationships between them such as meaningful distances, angles, and volumes. We prove this is feasible under very mild model conditions and without additional labeled data. We empirically demonstrate that our theory results in more reliable latent distances, offering a principled path forward in extracting trustworthy conclusions from deep latent variable models.
Authors: Anudeex Shetty, Amin Beheshti, Mark Dras, Usman Naseem
Abstract: Alignment techniques have become central to ensuring that Large Language Models (LLMs) generate outputs consistent with human values. However, existing alignment paradigms often model an averaged or monolithic preference, failing to account for the diversity of perspectives across cultures, demographics, and communities. This limitation is particularly critical in health-related scenarios, where plurality is essential due to the influence of culture, religion, personal values, and conflicting opinions. Despite progress in pluralistic alignment, no prior work has focused on health, likely due to the unavailability of publicly available datasets. To address this gap, we introduce VITAL, a new benchmark dataset comprising 13.1K value-laden situations and 5.4K multiple-choice questions focused on health, designed to assess and benchmark pluralistic alignment methodologies. Through extensive evaluation of eight LLMs of varying sizes, we demonstrate that existing pluralistic alignment techniques fall short in effectively accommodating diverse healthcare beliefs, underscoring the need for tailored AI alignment in specific domains. This work highlights the limitations of current approaches and lays the groundwork for developing health-specific alignment solutions.
Authors: Tianqing Wang, Xun Xue, Guoliang Li, Yong Wang
Abstract: In this demonstration, we present AnDB, an AI-native database that supports traditional OLTP workloads and innovative AI-driven tasks, enabling unified semantic analysis across structured and unstructured data. While structured data analytics is mature, challenges remain in bridging the semantic gap between user queries and unstructured data. AnDB addresses these issues by leveraging cutting-edge AI-native technologies, allowing users to perform semantic queries using intuitive SQL-like statements without requiring AI expertise. This approach eliminates the ambiguity of traditional text-to-SQL systems and provides a seamless end-to-end optimization for analyzing all data types. AnDB automates query processing by generating multiple execution plans and selecting the optimal one through its optimizer, which balances accuracy, execution time, and financial cost based on user policies and internal optimizing mechanisms. AnDB future-proofs data management infrastructure, empowering users to effectively and efficiently harness the full potential of all kinds of data without starting from scratch.
Authors: Matthew Pugh, Jo Grundy, Corina Cirstea, Nick Harris
Abstract: Previous work has demonstrated that efficient algorithms exist for computing Kan extensions and that some Kan extensions have interesting similarities to various machine learning algorithms. This paper closes the gap by proving that all error minimisation algorithms may be presented as a Kan extension. This result provides a foundation for future work to investigate the optimisation of machine learning algorithms through their presentation as Kan extensions. A corollary of this representation of error-minimising algorithms is a presentation of error from the perspective of lossy and lossless transformations of data.
Authors: Nikolaos Dionelis, Nicolas Long\'ep\'e, Alessandra Feliciotti, Mattia Marconcini, Devis Peressutti, Nika Oman Kadunc, JaeWan Park, Hagai Raja Sinulingga, Steve Andreas Immanuel, Ba Tran, Caroline Arnold
Abstract: Estimating the construction year of buildings is of great importance for sustainability. Sustainable buildings minimize energy consumption and are a key part of responsible and sustainable urban planning and development to effectively combat climate change. By using Artificial Intelligence (AI) and recently proposed Transformer models, we are able to estimate the construction epoch of buildings from a multi-modal dataset. In this paper, we introduce a new benchmark multi-modal dataset, i.e. the Map your City Dataset (MyCD), containing top-view Very High Resolution (VHR) images, Earth Observation (EO) multi-spectral data from the Copernicus Sentinel-2 satellite constellation, and street-view images in many different cities in Europe, co-localized with respect to the building under study and labelled with the construction epoch. We assess EO generalization performance on new/ previously unseen cities that have been held-out from training and appear only during inference. In this work, we present the community-based data challenge we organized based on MyCD. The ESA AI4EO Challenge MapYourCity was opened in 2024 for 4 months. Here, we present the Top-4 performing models, and the main evaluation results. During inference, the performance of the models using both all three input modalities and only the two top-view modalities, i.e. without the street-view images, is examined. The evaluation results show that the models are effective and can achieve good performance on this difficult real-world task of estimating the age of buildings, even on previously unseen cities, as well as even using only the two top-view modalities (i.e. VHR and Sentinel-2) during inference.
Authors: Aleksander Ficek, Somshubra Majumdar, Vahid Noroozi, Boris Ginsburg
Abstract: Code verification has recently found great success as a critical component in training large scale reasoning models for coding. Synthetic techniques such as self-generated test cases and reward models provide a way to enhance code capabilities beyond predefined tests. Building on these advancements, we propose new benchmarks designed to systematically evaluate the impact of synthetic verification methods on assessing solution correctness. We introduce HE-R, HE-R+, MBPP-R, and MBPP-R+, which transform existing coding benchmarks into scoring and ranking datasets to evaluate the effectiveness of synthetic verifiers. Using these benchmarks, we analyze synthetic verification methods in standard, reasoning-based, and reward-based LLMs. Our results show that recent reasoning models significantly improve test case generation and that scaling test cases enhances verification accuracy.
Authors: Weichen Wu, Yuting Wei, Alessandro Rinaldo
Abstract: Markov chains are fundamental to statistical machine learning, underpinning key methodologies such as Markov Chain Monte Carlo (MCMC) sampling and temporal difference (TD) learning in reinforcement learning (RL). Given their widespread use, it is crucial to establish rigorous probabilistic guarantees on their convergence, uncertainty, and stability. In this work, we develop novel, high-dimensional concentration inequalities and Berry-Esseen bounds for vector- and matrix-valued functions of Markov chains, addressing key limitations in existing theoretical tools for handling dependent data. We leverage these results to analyze the TD learning algorithm, a widely used method for policy evaluation in RL. Our analysis yields a sharp high-probability consistency guarantee that matches the asymptotic variance up to logarithmic factors. Furthermore, we establish a $O(T^{-\frac{1}{4}}\log T)$ distributional convergence rate for the Gaussian approximation of the TD estimator, measured in convex distance. These findings provide new insights into statistical inference for RL algorithms, bridging the gaps between classical stochastic approximation theory and modern reinforcement learning applications.
Authors: Feiyuan Zhang, Dezhi Zhu, James Ming, Yilun Jin, Di Chai, Liu Yang, Han Tian, Zhaoxin Fan, Kai Chen
Abstract: Retrieval-Augmented Generation (RAG) systems have shown substantial benefits in applications such as question answering and multi-turn dialogue \citep{lewis2020retrieval}. However, traditional RAG methods, while leveraging static knowledge bases, often overlook the potential of dynamic historical information in ongoing conversations. To bridge this gap, we introduce DH-RAG, a Dynamic Historical Context-Powered Retrieval-Augmented Generation Method for Multi-Turn Dialogue. DH-RAG is inspired by human cognitive processes that utilize both long-term memory and immediate historical context in conversational responses \citep{stafford1987conversational}. DH-RAG is structured around two principal components: a History-Learning based Query Reconstruction Module, designed to generate effective queries by synthesizing current and prior interactions, and a Dynamic History Information Updating Module, which continually refreshes historical context throughout the dialogue. The center of DH-RAG is a Dynamic Historical Information database, which is further refined by three strategies within the Query Reconstruction Module: Historical Query Clustering, Hierarchical Matching, and Chain of Thought Tracking. Experimental evaluations show that DH-RAG significantly surpasses conventional models on several benchmarks, enhancing response relevance, coherence, and dialogue quality.
Authors: A. P. Kryukov, S. P. Polyakov, Yu. Yu. Dubenskaya, E. O. Gres, E. B. Postnikov, P. A. Volchugov, D. P. Zhurov
Abstract: The direction of extensive air showers can be used to determine the source of gamma quanta and plays an important role in estimating the energy of the primary particle. The data from an array of non-imaging Cherenkov detector stations HiSCORE in the TAIGA experiment registering the number of photoelectrons and detection time can be used to estimate the shower direction with high accuracy. In this work, we use artificial neural networks trained on Monte Carlo-simulated TAIGA HiSCORE data for gamma quanta to obtain shower direction estimates. The neural networks are multilayer perceptrons with skip connections using partial data from several HiSCORE stations as inputs; composite estimates are derived from multiple individual estimates by the neural networks. We apply a two-stage algorithm in which the direction estimates obtained in the first stage are used to transform the input data and refine the estimates. The mean error of the final estimates is less than 0.25 degrees. The approach will be used for multimodal analysis of the data from several types of detectors used in the TAIGA experiment.
Authors: Mehdi Rasti, Elaheh Ataeebojd, Shiva Kazemi Taskooh, Mehdi Monemi, Siavash Razmi, Matti Latva-aho
Abstract: Current spectrum-sharing frameworks struggle with adaptability, often being either static or insufficiently dynamic. They primarily emphasize temporal sharing while overlooking spatial and spectral dimensions. We propose an adaptive, AI-driven spectrum-sharing framework within the O-RAN architecture, integrating discriminative and generative AI (GenAI) to forecast spectrum needs across multiple timescales and spatial granularities. A marketplace model, managed by an authorized spectrum broker, enables operators to trade spectrum dynamically, balancing static assignments with real-time trading. GenAI enhances traffic prediction, spectrum estimation, and allocation, optimizing utilization while reducing costs. This modular, flexible approach fosters operator collaboration, maximizing efficiency and revenue. A key research challenge is refining allocation granularity and spatio-temporal dynamics beyond existing models.
Authors: Dan Zhang, Sining Zhoubian, Min Cai, Fengzu Li, Lekang Yang, Wei Wang, Tianjiao Dong, Ziniu Hu, Jie Tang, Yisong Yue
Abstract: This paper presents DataSciBench, a comprehensive benchmark for evaluating Large Language Model (LLM) capabilities in data science. Recent related benchmarks have primarily focused on single tasks, easily obtainable ground truth, and straightforward evaluation metrics, which limits the scope of tasks that can be evaluated. In contrast, DataSciBench is constructed based on a more comprehensive and curated collection of natural and challenging prompts for uncertain ground truth and evaluation metrics. We develop a semi-automated pipeline for generating ground truth (GT) and validating evaluation metrics. This pipeline utilizes and implements an LLM-based self-consistency and human verification strategy to produce accurate GT by leveraging collected prompts, predefined task types, and aggregate functions (metrics). Furthermore, we propose an innovative Task - Function - Code (TFC) framework to assess each code execution outcome based on precisely defined metrics and programmatic rules. Our experimental framework involves testing 6 API-based models, 8 open-source general models, and 9 open-source code generation models using the diverse set of prompts we have gathered. This approach aims to provide a more comprehensive and rigorous evaluation of LLMs in data science, revealing their strengths and weaknesses. Experimental results demonstrate that API-based models outperform open-sourced models on all metrics and Deepseek-Coder-33B-Instruct achieves the highest score among open-sourced models. We release all code and data at https://github.com/THUDM/DataSciBench.
Authors: Subhash V. S. Ganti, Lukas Woelfel, Christopher Kuenneth
Abstract: The use of transition group metals in electric batteries requires extensive usage of critical elements like lithium, cobalt and nickel, which poses significant environmental challenges. Replacing these metals with redox-active organic materials offers a promising alternative, thereby reducing the carbon footprint of batteries by one order of magnitude. However, this approach faces critical obstacles, including the limited availability of suitable redox-active organic materials and issues such as lower electronic conductivity, voltage, specific capacity, and long-term stability. To overcome the limitations for lower voltage and specific capacity, a machine learning (ML) driven battery informatics framework is developed and implemented. This framework utilizes an extensive battery dataset and advanced ML techniques to accelerate and enhance the identification, optimization, and design of redox-active organic materials. In this contribution, a data-fusion ML coupled meta learning model capable of predicting the battery properties, voltage and specific capacity, for various organic negative electrodes and charge carriers (positive electrode materials) combinations is presented. The ML models accelerate experimentation, facilitate the inverse design of battery materials, and identify suitable candidates from three extensive material libraries to advance sustainable energy-storage technologies.
Authors: Guanzheng Chen, Xin Li, Michael Qizhe Shieh, Lidong Bing
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities through pretraining and alignment. However, superior short-context LLMs may underperform in long-context scenarios due to insufficient long-context alignment. This alignment process remains challenging due to the impracticality of human annotation for extended contexts and the difficulty in balancing short- and long-context performance. To address these challenges, we introduce LongPO, that enables short-context LLMs to self-evolve to excel on long-context tasks by internally transferring short-context capabilities. LongPO harnesses LLMs to learn from self-generated short-to-long preference data, comprising paired responses generated for identical instructions with long-context inputs and their compressed short-context counterparts, respectively. This preference reveals capabilities and potentials of LLMs cultivated during short-context alignment that may be diminished in under-aligned long-context scenarios. Additionally, LongPO incorporates a short-to-long KL constraint to mitigate short-context performance decline during long-context alignment. When applied to Mistral-7B-Instruct-v0.2 from 128K to 512K context lengths, LongPO fully retains short-context performance and largely outperforms naive SFT and DPO in both long- and short-context tasks. Specifically, \ourMethod-trained models can achieve results on long-context benchmarks comparable to, or even surpassing, those of superior LLMs (e.g., GPT-4-128K) that involve extensive long-context annotation and larger parameter scales.
Authors: Shengguang Wu, Fan-Yun Sun, Kaiyue Wen, Nick Haber
Abstract: Recent studies have shown that Large Vision-Language Models (VLMs) tend to neglect image content and over-rely on language-model priors, resulting in errors in visually grounded tasks and hallucinations. We hypothesize that this issue arises because existing VLMs are not explicitly trained to generate texts that are accurately grounded in fine-grained image details. To enhance visual feedback during VLM training, we propose S-VCO (Symmetrical Visual Contrastive Optimization), a novel finetuning objective that steers the model toward capturing important visual details and aligning them with corresponding text tokens. To further facilitate this detailed alignment, we introduce MVC, a paired image-text dataset built by automatically filtering and augmenting visual counterfactual data to challenge the model with hard contrastive cases involving Minimal Visual Contrasts. Experiments show that our method consistently improves VLM performance across diverse benchmarks covering various abilities and domains, achieving up to a 22% reduction in hallucinations, and significant gains in vision-centric and general tasks. Notably, these improvements become increasingly pronounced in benchmarks with higher visual dependency. In short, S-VCO offers a significant enhancement of VLM's visually-dependent task performance while retaining or even improving the model's general abilities. We opensource our code at https://s-vco.github.io/
URLs: https://s-vco.github.io/
Authors: Zeki Doruk Erden, Boi Faltings
Abstract: Current machine learning paradigm relies on continuous representations like neural networks, which iteratively adjust parameters to approximate outcomes rather than directly learning the structure of problem. This spreads information across the network, causing issues like information loss and incomprehensibility Building on prior work in environment dynamics modeling, we propose a method that learns visual space in a structured, continual manner. Our approach refines networks to capture the core structure of objects while representing significant subvariants in structure efficiently. We demonstrate this with 2D shape detection, showing incremental learning on MNIST without overwriting knowledge and creating compact, comprehensible representations. These results offer a promising step toward a transparent, continually learning alternative to traditional neural networks for visual processing.
Authors: Ang Jia Ning Shermaine, Michalis Lazarou, Tania Stathaki
Abstract: This paper investigates the impact of various data augmentation techniques on the performance of object detection models. Specifically, we explore classical augmentation methods, image compositing, and advanced generative models such as Stable Diffusion XL and ControlNet. The objective of this work is to enhance model robustness and improve detection accuracy, particularly when working with limited annotated data. Using YOLOv8, we fine-tune the model on a custom dataset consisting of commercial and military aircraft, applying different augmentation strategies. Our experiments show that image compositing offers the highest improvement in detection performance, as measured by precision, recall, and mean Average Precision (mAP@0.50). Other methods, including Stable Diffusion XL and ControlNet, also demonstrate significant gains, highlighting the potential of advanced data augmentation techniques for object detection tasks. The results underline the importance of dataset diversity and augmentation in achieving better generalization and performance in real-world applications. Future work will explore the integration of semi-supervised learning methods and further optimizations to enhance model performance across larger and more complex datasets.
Authors: Yuliang Liu, Junjie Lu, Zhaoling Chen, Chaofeng Qu, Jason Klein Liu, Chonghan Liu, Zefan Cai, Yunhui Xia, Li Zhao, Jiang Bian, Chuheng Zhang, Wei Shen, Zhouhan Lin
Abstract: Current approaches for training Process Reward Models (PRMs) often involve breaking down responses into multiple reasoning steps using rule-based techniques, such as using predefined placeholder tokens or setting the reasoning step's length into a fixed size. These approaches overlook the fact that specific words do not typically mark true decision points in a text. To address this, we propose AdaptiveStep, a method that divides reasoning steps based on the model's confidence in predicting the next word. This division method provides more decision-making information at each step, enhancing downstream tasks, such as reward model learning. Moreover, our method does not require manual annotation. We demonstrate its effectiveness through experiments with AdaptiveStep-trained PRMs in mathematical reasoning and code generation tasks. Experimental results indicate that the outcome PRM achieves state-of-the-art Best-of-N performance, surpassing greedy search strategy with token-level value-guided decoding, while also reducing construction costs by over 30% compared to existing open-source PRMs. In addition, we provide a thorough analysis and case study on the PRM's performance, transferability, and generalization capabilities.
Authors: Jingwang Huang, Jiang Zhong, Qin Lei, Jinpeng Gao, Yuming Yang, Sirui Wang, Peiguang Li, Kaiwen Wei
Abstract: Multimodal multi-label emotion recognition (MMER) aims to identify the concurrent presence of multiple emotions in multimodal data. Existing studies primarily focus on improving fusion strategies and modeling modality-to-label dependencies. However, they often overlook the impact of \textbf{aleatoric uncertainty}, which is the inherent noise in the multimodal data and hinders the effectiveness of modality fusion by introducing ambiguity into feature representations. To address this issue and effectively model aleatoric uncertainty, this paper proposes Latent emotional Distribution Decomposition with Uncertainty perception (LDDU) framework from a novel perspective of latent emotional space probabilistic modeling. Specifically, we introduce a contrastive disentangled distribution mechanism within the emotion space to model the multimodal data, allowing for the extraction of semantic features and uncertainty. Furthermore, we design an uncertainty-aware fusion multimodal method that accounts for the dispersed distribution of uncertainty and integrates distribution information. Experimental results show that LDDU achieves state-of-the-art performance on the CMU-MOSEI and M$^3$ED datasets, highlighting the importance of uncertainty modeling in MMER. Code is available at https://github.com/201983290498/lddu\_mmer.git.
Authors: Yatin Dandi, Luca Pesce, Lenka Zdeborov\'a, Florent Krzakala
Abstract: Understanding the advantages of deep neural networks trained by gradient descent (GD) compared to shallow models remains an open theoretical challenge. While the study of multi-index models with Gaussian data in high dimensions has provided analytical insights into the benefits of GD-trained neural networks over kernels, the role of depth in improving sample complexity and generalization in GD-trained networks remains poorly understood. In this paper, we introduce a class of target functions (single and multi-index Gaussian hierarchical targets) that incorporate a hierarchy of latent subspace dimensionalities. This framework enables us to analytically study the learning dynamics and generalization performance of deep networks compared to shallow ones in the high-dimensional limit. Specifically, our main theorem shows that feature learning with GD reduces the effective dimensionality, transforming a high-dimensional problem into a sequence of lower-dimensional ones. This enables learning the target function with drastically less samples than with shallow networks. While the results are proven in a controlled training setting, we also discuss more common training procedures and argue that they learn through the same mechanisms. These findings open the way to further quantitative studies of the crucial role of depth in learning hierarchical structures with deep networks.
Authors: Arjun Gupta, Rishik Sathua, Saurabh Gupta
Abstract: Many everyday mobile manipulation tasks require precise interaction with small objects, such as grasping a knob to open a cabinet or pressing a light switch. In this paper, we develop Servoing with Vision Models (SVM), a closed-loop training-free framework that enables a mobile manipulator to tackle such precise tasks involving the manipulation of small objects. SVM employs an RGB-D wrist camera and uses visual servoing for control. Our novelty lies in the use of state-of-the-art vision models to reliably compute 3D targets from the wrist image for diverse tasks and under occlusion due to the end-effector. To mitigate occlusion artifacts, we employ vision models to out-paint the end-effector thereby significantly enhancing target localization. We demonstrate that aided by out-painting methods, open-vocabulary object detectors can serve as a drop-in module to identify semantic targets (e.g. knobs) and point tracking methods can reliably track interaction sites indicated by user clicks. This training-free method obtains an 85% zero-shot success rate on manipulating unseen objects in novel environments in the real world, outperforming an open-loop control method and an imitation learning baseline trained on 1000+ demonstrations by an absolute success rate of 50%.
Authors: Adam Stein, Arthur Wayne, Aaditya Naik, Mayur Naik, Eric Wong
Abstract: Ensuring code correctness remains a challenging problem even as large language models (LLMs) become increasingly capable at code-related tasks. While LLM-based program repair systems can propose bug fixes using only a user's bug report, their effectiveness is fundamentally limited by their ability to perform fault localization (FL), a challenging problem for both humans and LLMs. Existing FL approaches rely on executable test cases, require training on costly and often noisy line-level annotations, or demand resource-intensive LLMs. In this paper, we present Bug Attention Probe (BAP), a method which learns state-of-the-art fault localization without any direct localization labels, outperforming traditional FL baselines and prompting of large-scale LLMs. We evaluate our approach across a variety of code settings, including real-world Java bugs from the standard Defects4J dataset as well as seven other datasets which span a diverse set of bug types and languages. Averaged across all eight datasets, BAP improves by 34.6% top-1 accuracy compared to the strongest baseline and 93.4% over zero-shot prompting GPT-4o. BAP is also significantly more efficient than prompting, outperforming large open-weight models at a small fraction of the computational cost.
Authors: Roman Bachmann, Jesse Allardice, David Mizrahi, Enrico Fini, O\u{g}uzhan Fatih Kar, Elmira Amirloo, Alaaeldin El-Nouby, Amir Zamir, Afshin Dehghan
Abstract: Image tokenization has enabled major advances in autoregressive image generation by providing compressed, discrete representations that are more efficient to process than raw pixels. While traditional approaches use 2D grid tokenization, recent methods like TiTok have shown that 1D tokenization can achieve high generation quality by eliminating grid redundancies. However, these methods typically use a fixed number of tokens and thus cannot adapt to an image's inherent complexity. We introduce FlexTok, a tokenizer that projects 2D images into variable-length, ordered 1D token sequences. For example, a 256x256 image can be resampled into anywhere from 1 to 256 discrete tokens, hierarchically and semantically compressing its information. By training a rectified flow model as the decoder and using nested dropout, FlexTok produces plausible reconstructions regardless of the chosen token sequence length. We evaluate our approach in an autoregressive generation setting using a simple GPT-style Transformer. On ImageNet, this approach achieves an FID<2 across 8 to 128 tokens, outperforming TiTok and matching state-of-the-art methods with far fewer tokens. We further extend the model to support to text-conditioned image generation and examine how FlexTok relates to traditional 2D tokenization. A key finding is that FlexTok enables next-token prediction to describe images in a coarse-to-fine "visual vocabulary", and that the number of tokens to generate depends on the complexity of the generation task.
Authors: Max Hopkins, Daniel M. Kane, Shachar Lovett, Gaurav Mahajan
Abstract: The Fundamental Theorem of PAC Learning asserts that learnability of a concept class $H$ is equivalent to the $\textit{uniform convergence}$ of empirical error in $H$ to its mean, or equivalently, to the problem of $\textit{density estimation}$, learnability of the underlying marginal distribution with respect to events in $H$. This seminal equivalence relies strongly on PAC learning's `distribution-free' assumption, that the adversary may choose any marginal distribution over data. Unfortunately, the distribution-free model is known to be overly adversarial in practice, failing to predict the success of modern machine learning algorithms, but without the Fundamental Theorem our theoretical understanding of learning under distributional constraints remains highly limited. In this work, we revisit the connection between PAC learning, uniform convergence, and density estimation beyond the distribution-free setting when the adversary is restricted to choosing a marginal distribution from a known family $\mathscr{P}$. We prove that while the traditional Fundamental Theorem indeed fails, a finer-grained connection between the three fundamental notions continues to hold: 1. PAC-Learning is strictly sandwiched between two refined models of density estimation, differing only in whether the learner $\textit{knows}$ the set of well-estimated events in $H$. 2. Under reasonable assumptions on $H$ and $\mathscr{P}$, density estimation is equivalent to $\textit{uniform estimation}$, a relaxation of uniform convergence allowing non-empirical estimators. Together, our results give a clearer picture of how the Fundamental Theorem extends beyond the distribution-free setting and shed new light on the classically challenging problem of learning under arbitrary distributional assumptions.
Authors: Pavol Harar, Lukas Herrmann, Philipp Grohs, David Haselbach
Abstract: In cryo-electron microscopy, accurate particle localization and classification are imperative. Recent deep learning solutions, though successful, require extensive training data sets. The protracted generation time of physics-based models, often employed to produce these data sets, limits their broad applicability. We introduce FakET, a method based on Neural Style Transfer, capable of simulating the forward operator of any cryo transmission electron microscope. It can be used to adapt a synthetic training data set according to reference data producing high-quality simulated micrographs or tilt-series. To assess the quality of our generated data, we used it to train a state-of-the-art localization and classification architecture and compared its performance with a counterpart trained on benchmark data. Remarkably, our technique matches the performance, boosts data generation speed 750 times, uses 33 times less memory, and scales well to typical transmission electron microscope detector sizes. It leverages GPU acceleration and parallel processing. The source code is available at https://github.com/paloha/faket.
Authors: Noah A. Crum, Leanto Sunny, Pooya Ronagh, Raymond Laflamme, Radhakrishnan Balu, George Siopsis
Abstract: Motivated by applications of quantum computers in Gibbs sampling from continuous real-valued functions, we ask whether such algorithms can provide practical advantages for machine learning models trained on classical data and seek measures for quantifying such impacts. In this study, we focus on deep energy-based models (EBM), as they require continuous-domain Gibbs sampling both during training and inference. In lieu of fault-tolerant quantum computers that can execute quantum Gibbs sampling algorithms, we use the Monte Carlo simulation of diffusion processes as a classical alternative. More specifically, we investigate whether long-run persistent chain Monte Carlo simulation of Langevin dynamics improves the quality of the representations achieved by EBMs. We consider a scheme in which the Monte Carlo simulation of a diffusion, whose drift is given by the gradient of the energy function, is used to improve the adversarial robustness and calibration score of an independent classifier network. Our results show that increasing the computational budget of Gibbs sampling in persistent contrastive divergence improves both the calibration and adversarial robustness of the model, suggesting a prospective avenue of quantum advantage for generative AI using future large-scale quantum computers.
Authors: Kihyuk Yoon, Chiehyeon Lim
Abstract: In this work, we propose a novel activation mechanism called LayerAct for CNNs. This approach is motivated by our theoretical and experimental analyses, which demonstrate that Layer Normalization (LN) can mitigate a limitation of existing activation functions regarding noise robustness. However, LN is known to be disadvantageous in CNNs due to its tendency to make activation outputs homogeneous. The proposed method is designed to be more robust than existing activation functions by reducing the upper bound of influence caused by input shifts without inheriting LN's limitation. We provide analyses and experiments showing that LayerAct functions exhibit superior robustness compared to ElementAct functions. Experimental results on three clean and noisy benchmark datasets for image classification tasks indicate that LayerAct functions outperform other activation functions in handling noisy datasets while achieving superior performance on clean datasets in most cases.
Authors: Hai-Long Sun, Da-Wei Zhou, Han-Jia Ye, De-Chuan Zhan
Abstract: While traditional machine learning can effectively tackle a wide range of problems, it primarily operates within a closed-world setting, which presents limitations when dealing with streaming data. As a solution, incremental learning emerges to address real-world scenarios involving new data's arrival. Recently, pre-training has made significant advancements and garnered the attention of numerous researchers. The strong performance of these pre-trained models (PTMs) presents a promising avenue for developing continual learning algorithms that can effectively adapt to real-world scenarios. Consequently, exploring the utilization of PTMs in incremental learning has become essential. This paper introduces a pre-trained model-based continual learning toolbox known as PILOT. On the one hand, PILOT implements some state-of-the-art class-incremental learning algorithms based on pre-trained models, such as L2P, DualPrompt, and CODA-Prompt. On the other hand, PILOT also fits typical class-incremental learning algorithms (e.g., DER, FOSTER, and MEMO) within the context of pre-trained models to evaluate their effectiveness.
Authors: Quazi Ishtiaque Mahmud, Ali TehraniJamsaz, Hung Phan, Le Chen, Mihai Capot\u{a}, Theodore Willke, Nesreen K. Ahmed, Ali Jannesari
Abstract: In-Context Learning (ICL) has been shown to be a powerful technique to augment the capabilities of LLMs for a diverse range of tasks. This work proposes \ourtool, a novel way to generate context using guidance from graph neural networks (GNNs) to generate efficient parallel codes. We evaluate \ourtool \xspace{} on $12$ applications from two well-known benchmark suites of parallel codes: NAS Parallel Benchmark and Rodinia Benchmark. Our results show that \ourtool \xspace{} improves the state-of-the-art LLMs (e.g., GPT-4) by 19.9\% in NAS and 6.48\% in Rodinia benchmark in terms of CodeBERTScore for the task of parallel code generation. Moreover, \ourtool \xspace{} improves the ability of the most powerful LLM to date, GPT-4, by achieving $\approx$17\% (on NAS benchmark) and $\approx$16\% (on Rodinia benchmark) better speedup. In addition, we propose \ourscore \xspace{} for evaluating the quality of the parallel code and show its effectiveness in evaluating parallel codes. \ourtool \xspace is available at https://github.com/quazirafi/AutoParLLM.git.
Authors: Abdellah Rahmani, Pascal Frossard
Abstract: Understanding causal relationships in multivariate time series is essential for predicting and controlling dynamic systems in fields like economics, neuroscience, and climate science. However, existing causal discovery methods often assume stationarity, limiting their effectiveness when time series consist of sequential regimes, consecutive temporal segments with unknown boundaries and changing causal structures. In this work, we firstly introduce a framework to describe and model such time series. Then, we present CASTOR, a novel method that concurrently learns the Directed Acyclic Graph (DAG) for each regime while determining the number of regimes and their sequential arrangement. CASTOR optimizes the data log-likelihood using an expectation-maximization algorithm, alternating between assigning regime indices (expectation step) and inferring causal relationships in each regime (maximization step). We establish the identifiability of the regimes and DAGs within our framework. Extensive experiments show that CASTOR consistently outperforms existing causal discovery models in detecting different regimes and learning their DAGs across various settings, including linear and nonlinear causal relationships, on both synthetic and real world datasets.
Authors: Jie Chen, Hua Mao, Wai Lok Woo, Chuanbin Liu, Xi Peng
Abstract: Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view graph consistency learning (CGCL) method that learns invariant graph representations for link prediction. First, two complementary augmented views are derived from an incomplete graph structure through a coupled graph structure augmentation scheme. This augmentation scheme mitigates the potential information loss that is commonly associated with various data augmentation techniques involving raw graph data, such as edge perturbation, node removal, and attribute masking. Second, we propose a CGCL model that can learn invariant graph representations. A cross-view training scheme is proposed to train the proposed CGCL model. This scheme attempts to maximize the consistency information between one augmented view and the graph structure reconstructed from the other augmented view. Furthermore, we offer a comprehensive theoretical CGCL analysis. This paper empirically and experimentally demonstrates the effectiveness of the proposed CGCL method, achieving competitive results on graph datasets in comparisons with several state-of-the-art algorithms.
Authors: Hyeonsu Jeong, Hye Won Chung
Abstract: We investigate the mechanisms of self-distillation in multi-class classification, particularly in the context of linear probing with fixed feature extractors where traditional feature learning explanations do not apply. Our theoretical analysis reveals that multi-round self-distillation effectively performs label averaging among instances with high feature correlations, governed by the eigenvectors of the Gram matrix derived from input features. This process leads to clustered predictions and improved generalization, mitigating the impact of label noise by reducing the model's reliance on potentially corrupted labels. We establish conditions under which multi-round self-distillation achieves 100% population accuracy despite label noise. Furthermore, we introduce a novel, efficient single-round self-distillation method using refined partial labels from the teacher's top two softmax outputs, referred to as the PLL student model. This approach replicates the benefits of multi-round distillation in a single round, achieving comparable or superior performance--especially in high-noise scenarios--while significantly reducing computational cost.
Authors: Franco Galante, Giovanni Neglia, Emilio Leonardi
Abstract: In numerous settings, agents lack sufficient data to directly learn a model. Collaborating with other agents may help, but it introduces a bias-variance trade-off, when local data distributions differ. A key challenge is for each agent to identify clients with similar distributions while learning the model, a problem that remains largely unresolved. This study focuses on a simplified version of the overarching problem, where each agent collects samples from a real-valued distribution over time to estimate its mean. Existing algorithms face impractical space and time complexities (quadratic in the number of agents A). To address scalability challenges, we propose a framework where agents self-organize into a graph, allowing each agent to communicate with only a selected number of peers r. We introduce two collaborative mean estimation algorithms: one draws inspiration from belief propagation, while the other employs a consensus-based approach, with complexity of O( r |A| log |A|) and O(r |A|), respectively. We establish conditions under which both algorithms yield asymptotically optimal estimates and offer a theoretical characterization of their performance.
Authors: Priyesh Kakka, Sheel Nidhan, Rishikesh Ranade, Jay Pathak, Jonathan F. MacArt
Abstract: In this study, we introduce a domain-decomposition-based distributed training and inference approach for message-passing neural networks (MPNN). Our objective is to address the challenge of scaling edge-based graph neural networks as the number of nodes increases. Through our distributed training approach, coupled with Nystr\"om-approximation sampling techniques, we present a scalable graph neural network, referred to as DS-MPNN (D and S standing for distributed and sampled, respectively), capable of scaling up to $O(10^5)$ nodes. We validate our sampling and distributed training approach on two cases: (a) a Darcy flow dataset and (b) steady RANS simulations of 2-D airfoils, providing comparisons with both single-GPU implementation and node-based graph convolution networks (GCNs). The DS-MPNN model demonstrates comparable accuracy to single-GPU implementation, can accommodate a significantly larger number of nodes compared to the single-GPU variant (S-MPNN), and significantly outperforms the node-based GCN.
Authors: Naman Agarwal, Pranjal Awasthi, Satyen Kale, Eric Zhao
Abstract: Stacking, a heuristic technique for training deep residual networks by progressively increasing the number of layers and initializing new layers by copying parameters from older layers, has proven quite successful in improving the efficiency of training deep neural networks. In this paper, we propose a theoretical explanation for the efficacy of stacking: viz., stacking implements a form of Nesterov's accelerated gradient descent. The theory also covers simpler models such as the additive ensembles constructed in boosting methods, and provides an explanation for a similar widely-used practical heuristic for initializing the new classifier in each round of boosting. We also prove that for certain deep linear residual networks, stacking does provide accelerated training, via a new potential function analysis of the Nesterov's accelerated gradient method which allows errors in updates. We conduct proof-of-concept experiments to validate our theory as well.
Authors: Donald W. Peltier III, Isaac Kaminer, Abram Clark, Marko Orescanin
Abstract: Understanding the characteristics of swarming autonomous agents is critical for defense and security applications. This article presents a study on using supervised neural network time series classification (NN TSC) to predict key attributes and tactics of swarming autonomous agents for military contexts. Specifically, NN TSC is applied to infer two binary attributes - communication and proportional navigation - which combine to define four mutually exclusive swarm tactics. We identify a gap in literature on using NNs for swarm classification and demonstrate the effectiveness of NN TSC in rapidly deducing intelligence about attacking swarms to inform counter-maneuvers. Through simulated swarm-vs-swarm engagements, we evaluate NN TSC performance in terms of observation window requirements, noise robustness, and scalability to swarm size. Key findings show NNs can predict swarm behaviors with 97% accuracy using short observation windows of 20 time steps, while also demonstrating graceful degradation down to 80% accuracy under 50% noise, as well as excellent scalability to swarm sizes from 10 to 100 agents. These capabilities are promising for real-time decision-making support in defense scenarios by rapidly inferring insights about swarm behavior.
Authors: Jiang Li, Xiangdong Su, Guanglai Gao
Abstract: Recent studies have highlighted the effectiveness of tensor decomposition methods in the Temporal Knowledge Graphs Embedding (TKGE) task. However, we found that inherent heterogeneity among factor tensors in tensor decomposition significantly hinders the tensor fusion process and further limits the performance of link prediction. To overcome this limitation, we introduce a novel method that maps factor tensors onto a unified smooth Lie group manifold to make the distribution of factor tensors approximating homogeneous in tensor decomposition. We provide the theoretical proof of our motivation that homogeneous tensors are more effective than heterogeneous tensors in tensor fusion and approximating the target for tensor decomposition based TKGE methods. The proposed method can be directly integrated into existing tensor decomposition based TKGE methods without introducing extra parameters. Extensive experiments demonstrate the effectiveness of our method in mitigating the heterogeneity and in enhancing the tensor decomposition based TKGE models.
Authors: Sagnik Chatterjee, Manuj Mukherjee, Alhad Sethi
Abstract: In this work, we upper bound the generalization error of batch learning algorithms trained on samples drawn from a mixing stochastic process (i.e., a dependent data source) both in expectation and with high probability. Unlike previous results by Mohri et al. (2010) and Fu et al. (2023), our work does not require any stability assumptions on the batch learner, which allows us to derive upper bounds for any batch learning algorithm trained on dependent data. This is made possible due to our use of the Online-to-Batch ( OTB ) conversion framework, which allows us to shift the burden of stability from the batch learner to an artificially constructed online learner. We show that our bounds are equal to the bounds in the i.i.d. setting up to a term that depends on the decay rate of the underlying mixing stochastic process. Central to our analysis is a new notion of algorithmic stability for online learning algorithms based on Wasserstein distances of order one. Furthermore, we prove that the EWA algorithm, a textbook family of online learning algorithms, satisfies our new notion of stability. Following this, we instantiate our bounds using the EWA algorithm.
Authors: Gabriele Dominici, Pietro Barbiero, Mateo Espinosa Zarlenga, Alberto Termine, Martin Gjoreski, Giuseppe Marra, Marc Langheinrich
Abstract: Causal opacity denotes the difficulty in understanding the "hidden" causal structure underlying the decisions of deep neural network (DNN) models. This leads to the inability to rely on and verify state-of-the-art DNN-based systems, especially in high-stakes scenarios. For this reason, circumventing causal opacity in DNNs represents a key open challenge at the intersection of deep learning, interpretability, and causality. This work addresses this gap by introducing Causal Concept Graph Models (Causal CGMs), a class of interpretable models whose decision-making process is causally transparent by design. Our experiments show that Causal CGMs can: (i) match the generalisation performance of causally opaque models, (ii) enable human-in-the-loop corrections to mispredicted intermediate reasoning steps, boosting not just downstream accuracy after corrections but also the reliability of the explanations provided for specific instances, and (iii) support the analysis of interventional and counterfactual scenarios, thereby improving the model's causal interpretability and supporting the effective verification of its reliability and fairness.
Authors: Shicong Cen, Jincheng Mei, Katayoon Goshvadi, Hanjun Dai, Tong Yang, Sherry Yang, Dale Schuurmans, Yuejie Chi, Bo Dai
Abstract: Reinforcement learning from human feedback (RLHF) has demonstrated great promise in aligning large language models (LLMs) with human preference. Depending on the availability of preference data, both online and offline RLHF are active areas of investigation. A key bottleneck is understanding how to incorporate uncertainty estimation in the reward function learned from the preference data for RLHF, regardless of how the preference data is collected. While the principles of optimism or pessimism under uncertainty are well-established in standard reinforcement learning (RL), a practically-implementable and theoretically-grounded form amenable to large language models is not yet available, as standard techniques for constructing confidence intervals become intractable under arbitrary policy parameterizations. In this paper, we introduce a unified approach to online and offline RLHF -- value-incentivized preference optimization (VPO) -- which regularizes the maximum-likelihood estimate of the reward function with the corresponding value function, modulated by a $\textit{sign}$ to indicate whether the optimism or pessimism is chosen. VPO also directly optimizes the policy with implicit reward modeling, and therefore shares a simpler RLHF pipeline similar to direct preference optimization. Theoretical guarantees of VPO are provided for both online and offline settings, matching the rates of their standard RL counterparts. Moreover, experiments on text summarization and dialog verify the practicality and effectiveness of VPO.
Authors: Linjiajie Fang, Ruoxue Liu, Jing Zhang, Wenjia Wang, Bing-Yi Jing
Abstract: In offline reinforcement learning, it is necessary to manage out-of-distribution actions to prevent overestimation of value functions. One class of methods, the policy-regularized method, addresses this problem by constraining the target policy to stay close to the behavior policy. Although several approaches suggest representing the behavior policy as an expressive diffusion model to boost performance, it remains unclear how to regularize the target policy given a diffusion-modeled behavior sampler. In this paper, we propose Diffusion Actor-Critic (DAC) that formulates the Kullback-Leibler (KL) constraint policy iteration as a diffusion noise regression problem, enabling direct representation of target policies as diffusion models. Our approach follows the actor-critic learning paradigm in which we alternatively train a diffusion-modeled target policy and a critic network. The actor training loss includes a soft Q-guidance term from the Q-gradient. The soft Q-guidance is based on the theoretical solution of the KL constraint policy iteration, which prevents the learned policy from taking out-of-distribution actions. We demonstrate that such diffusion-based policy constraint, along with the coupling of the lower confidence bound of the Q-ensemble as value targets, not only preserves the multi-modality of target policies, but also contributes to stable convergence and strong performance in DAC. Our approach is evaluated on D4RL benchmarks and outperforms the state-of-the-art in nearly all environments. Code is available at https://github.com/Fang-Lin93/DAC.
Authors: Kieran A. Murphy, Sam Dillavou, Dani S. Bassett
Abstract: Probabilistic representation spaces convey information about a dataset and are shaped by factors such as the training data, network architecture, and loss function. Comparing the information content of such spaces is crucial for understanding the learning process, yet most existing methods assume point-based representations, neglecting the distributional nature of probabilistic spaces. To address this gap, we propose two information-theoretic measures to compare general probabilistic representation spaces by extending classic methods to compare the information content of hard clustering assignments. Additionally, we introduce a lightweight method of estimation that is based on fingerprinting a representation space with a sample of the dataset, designed for scenarios where the communicated information is limited to a few bits. We demonstrate the utility of these measures in three case studies. First, in the context of unsupervised disentanglement, we identify recurring information fragments within individual latent dimensions of VAE and InfoGAN ensembles. Second, we compare the full latent spaces of models and reveal consistent information content across datasets and methods, despite variability during training. Finally, we leverage the differentiability of our measures to perform model fusion, synthesizing the information content of weak learners into a single, coherent representation. Across these applications, the direct comparison of information content offers a natural basis for characterizing the processing of information.
Authors: Jakob Bach
Abstract: Subgroup-discovery methods allow users to obtain simple descriptions of interesting regions in a dataset. Using constraints in subgroup discovery can enhance interpretability even further. In this article, we focus on two types of constraints: First, we limit the number of features used in subgroup descriptions, making the latter sparse. Second, we propose the novel optimization problem of finding alternative subgroup descriptions, which cover a similar set of data objects as a given subgroup but use different features. We describe how to integrate both constraint types into heuristic subgroup-discovery methods. Further, we propose a novel Satisfiability Modulo Theories (SMT) formulation of subgroup discovery as a white-box optimization problem, which allows solver-based search for subgroups and is open to a variety of constraint types. Additionally, we prove that both constraint types lead to an NP-hard optimization problem. Finally, we employ 27 binary-classification datasets to compare algorithmic and solver-based search for unconstrained and constrained subgroup discovery. We observe that heuristic search methods often yield high-quality subgroups within a short runtime, also in scenarios with constraints.
Authors: Hugo Melchers, Joost Prins, Michael Abdelmalik
Abstract: This work introduces neural Green's operators (NGOs), a novel neural operator network architecture that learns the solution operator for a parametric family of linear partial differential equations (PDEs). Our construction of NGOs is derived directly from the Green's formulation of such a solution operator. Similar to deep operator networks (DeepONets) and variationally mimetic operator networks (VarMiONs), NGOs constitutes an expansion of the solution to the PDE in terms of basis functions, that is returned from a sub-network, contracted with coefficients, that are returned from another sub-network. However, in accordance with the Green's formulation, NGOs accept weighted averages of the input functions, rather than sampled values thereof, as is the case in DeepONets and VarMiONs. Application of NGOs to canonical linear parametric PDEs shows that, while they remain competitive with DeepONets, VarMiONs and Fourier neural operators when testing on data that lie within the training distribution, they robustly generalize when testing on finer-scale data generated outside of the training distribution. Furthermore, we show that the explicit representation of the Green's function that is returned by NGOs enables the construction of effective preconditioners for numerical solvers for PDEs.
Authors: Zijing Ou, Mingtian Zhang, Andi Zhang, Tim Z. Xiao, Yingzhen Li, David Barber
Abstract: The probabilistic diffusion model has become highly effective across various domains. Typically, sampling from a diffusion model involves using a denoising distribution characterized by a Gaussian with a learned mean and either fixed or learned covariances. In this paper, we leverage the recently proposed covariance moment matching technique and introduce a novel method for learning the diagonal covariance. Unlike traditional data-driven diagonal covariance approximation approaches, our method involves directly regressing the optimal diagonal analytic covariance using a new, unbiased objective named Optimal Covariance Matching (OCM). This approach can significantly reduce the approximation error in covariance prediction. We demonstrate how our method can substantially enhance the sampling efficiency, recall rate and likelihood of commonly used diffusion models.
Authors: Kobi Rahimi, Yehonathan Refael, Tom Tirer, Ofir Lindenbaum
Abstract: The phenomenon of double descent has challenged the traditional bias-variance trade-off in supervised learning but remains unexplored in unsupervised learning, with some studies arguing for its absence. In this study, we first demonstrate analytically that double descent does not occur in linear unsupervised autoencoders (AEs). In contrast, we show for the first time that both double and triple descent can be observed with nonlinear AEs across various data models and architectural designs. We examine the effects of partial sample and feature noise and highlight the importance of bottleneck size in influencing the double descent curve. Through extensive experiments on both synthetic and real datasets, we uncover model-wise, epoch-wise, and sample-wise double descent across several data types and architectures. Our findings indicate that over-parameterized models not only improve reconstruction but also enhance performance in downstream tasks such as anomaly detection and domain adaptation, highlighting their practical value in complex real-world scenarios.
Authors: Baptiste Abeles, Eugenio Clerico, Gergely Neu
Abstract: We study the generalization error of statistical learning algorithms in a non-i.i.d. setting, where the training data is sampled from a stationary mixing process. We develop an analytic framework for this scenario based on a reduction to online learning with delayed feedback. In particular, we show that the existence of an online learning algorithm with bounded regret (against a fixed statistical learning algorithm in a specially constructed game of online learning with delayed feedback) implies low generalization error of said statistical learning method even if the data sequence is sampled from a mixing time series. The rates demonstrate a trade-off between the amount of delay in the online learning game and the degree of dependence between consecutive data points, with near-optimal rates recovered in a number of well-studied settings when the delay is tuned appropriately as a function of the mixing time of the process.
Authors: Hongbo Li, Sen Lin, Lingjie Duan, Yingbin Liang, Ness B. Shroff
Abstract: Continual learning (CL) has garnered significant attention because of its ability to adapt to new tasks that arrive over time. Catastrophic forgetting (of old tasks) has been identified as a major issue in CL, as the model adapts to new tasks. The Mixture-of-Experts (MoE) model has recently been shown to effectively mitigate catastrophic forgetting in CL, by employing a gating network to sparsify and distribute diverse tasks among multiple experts. However, there is a lack of theoretical analysis of MoE and its impact on the learning performance in CL. This paper provides the first theoretical results to characterize the impact of MoE in CL via the lens of overparameterized linear regression tasks. We establish the benefit of MoE over a single expert by proving that the MoE model can diversify its experts to specialize in different tasks, while its router learns to select the right expert for each task and balance the loads across all experts. Our study further suggests an intriguing fact that the MoE in CL needs to terminate the update of the gating network after sufficient training rounds to attain system convergence, which is not needed in the existing MoE studies that do not consider the continual task arrival. Furthermore, we provide explicit expressions for the expected forgetting and overall generalization error to characterize the benefit of MoE in the learning performance in CL. Interestingly, adding more experts requires additional rounds before convergence, which may not enhance the learning performance. Finally, we conduct experiments on both synthetic and real datasets to extend these insights from linear models to deep neural networks (DNNs), which also shed light on the practical algorithm design for MoE in CL.
Authors: Carlo Orientale Caputo, Elias Seiffert, Matteo Marsili
Abstract: Abstraction is the process of extracting the essential features from raw data while ignoring irrelevant details. This is similar to the process of focusing on large-scale properties, systematically removing irrelevant small-scale details, implemented in the renormalisation group of statistical physics. This analogy is suggestive because the fixed points of the renormalisation group offer an ideal candidate of a truly abstract -- i.e. data independent -- representation. It has been observed that abstraction emerges with depth in neural networks. Deep layers of neural network capture abstract characteristics of data, such as "cat-ness" or "dog-ness" in images, by combining the lower level features encoded in shallow layers (e.g. edges). Yet we argue that depth alone is not enough to develop truly abstract representations. We advocate that the level of abstraction crucially depends on how broad the training set is. We address the issue within a renormalisation group approach where a representation is expanded to encompass a broader set of data. We take the unique fixed point of this transformation -- the Hierarchical Feature Model -- as a candidate for an abstract representation. This theoretical picture is tested in numerical experiments based on Deep Belief Networks trained on data of different breadth. These show that representations in deep layers of neural networks approach the Hierarchical Feature Model as the data gets broader, in agreement with theoretical predictions.
Authors: Adrian Pekar, Richard Jozsa
Abstract: This study investigates the efficacy of machine learning models in network anomaly detection through the critical lens of partial versus complete flow information. We systematically evaluate how models perform under varying training and testing conditions, quantifying the performance impact when dealing with incomplete data typical in real-time environments. Our findings demonstrate a significant performance difference, with precision and recall dropping by up to 30% under certain conditions when models trained on complete flows are tested against partial flows. Conversely, models trained and tested on consistently complete or partial datasets maintain robustness. The study reveals that a minimum of 7 packets in the test set is required for maintaining reliable detection rates, providing valuable insights for real-time detection strategies. These results offer important guidance for deploying machine learning models in operational network security environments.
Authors: Erik B. Terres-Escudero, Javier Del Ser, Aitor Mart\'inez-Seras, Pablo Garcia-Bringas
Abstract: In recent years, Artificial Intelligence (AI) models have achieved remarkable success across various domains, yet challenges persist in two critical areas: ensuring robustness against uncertain inputs and drastically increasing model efficiency during training and inference. Spiking Neural Networks (SNNs), inspired by biological systems, offer a promising avenue for overcoming these limitations. By operating in an event-driven manner, SNNs achieve low energy consumption and can naturally implement biological methods known for their high noise tolerance. In this work, we explore the potential of the spiking Forward-Forward Algorithm (FFA) to address these challenges, leveraging its representational properties for both Out-of-Distribution (OoD) detection and interpretability. To achieve this, we exploit the sparse and highly specialized neural latent space of FF networks to estimate the likelihood of a sample belonging to the training distribution. Additionally, we propose a novel, gradient-free attribution method to detect features that drive a sample away from class distributions, addressing the challenges posed by the lack of gradients in most visual interpretability methods for spiking models. We evaluate our OoD detection algorithm on well-known image datasets (e.g., Omniglot, Not-MNIST, CIFAR10), outperforming previous methods proposed in the recent literature for OoD detection in spiking networks. Furthermore, our attribution method precisely identifies salient OoD features, such as artifacts or missing regions, hence providing a visual explanatory interface for the user to understand why unknown inputs are identified as such by the proposed method.
Authors: Xiaohua Feng, Yuyuan Li, Chaochao Chen, Li Zhang, Longfei Li, Jun Zhou, Xiaolin Zheng
Abstract: While generative models have made significant advancements in recent years, they also raise concerns such as privacy breaches and biases. Machine unlearning has emerged as a viable solution, aiming to remove specific training data, e.g., containing private information and bias, from models. In this paper, we study the machine unlearning problem in Image-to-Image (I2I) generative models. Previous studies mainly treat it as a single objective optimization problem, offering a solitary solution, thereby neglecting the varied user expectations towards the trade-off between complete unlearning and model utility. To address this issue, we propose a controllable unlearning framework that uses a control coefficient $\varepsilon$ to control the trade-off. We reformulate the I2I generative model unlearning problem into a $\varepsilon$-constrained optimization problem and solve it with a gradient-based method to find optimal solutions for unlearning boundaries. These boundaries define the valid range for the control coefficient. Within this range, every yielded solution is theoretically guaranteed with Pareto optimality. We also analyze the convergence rate of our framework under various control functions. Extensive experiments on two benchmark datasets across three mainstream I2I models demonstrate the effectiveness of our controllable unlearning framework.
Authors: Raphael T. Husistein, Markus Reiher, Marco Eckhoff
Abstract: Artificial neural networks have been shown to be state-of-the-art machine learning models in a wide variety of applications, including natural language processing and image recognition. However, building a performant neural network is a laborious task and requires substantial computing power. Neural Architecture Search (NAS) addresses this issue by an automatic selection of the optimal network from a set of potential candidates. While many NAS methods still require training of (some) neural networks, zero-cost proxies promise to identify the optimal network without training. In this work, we propose the zero-cost proxy \textit{Network Expressivity by Activation Rank} (NEAR). It is based on the effective rank of the pre- and post-activation matrix, i.e., the values of a neural network layer before and after applying its activation function. We demonstrate the cutting-edge correlation between this network score and the model accuracy on NAS-Bench-101 and NATS-Bench-SSS/TSS. In addition, we present a simple approach to estimate the optimal layer sizes in multi-layer perceptrons. Furthermore, we show that this score can be utilized to select hyperparameters such as the activation function and the neural network weight initialization scheme.
Authors: Nathan W. Henry, Giovanni Luca Marchetti, Kathl\'en Kohn
Abstract: We consider function spaces defined by self-attention networks without normalization, and theoretically analyze their geometry. Since these networks are polynomial, we rely on tools from algebraic geometry. In particular, we study the identifiability of deep attention by providing a description of the generic fibers of the parametrization for an arbitrary number of layers and, as a consequence, compute the dimension of the function space. Additionally, for a single-layer model, we characterize the singular and boundary points. Finally, we formulate a conjectural extension of our results to normalized self-attention networks, prove it for a single layer, and numerically verify it in the deep case.
Authors: Lecheng Zheng, John R. Birge, Haiyue Wu, Yifang Zhang, Jingrui He
Abstract: Graph anomaly detection has gained significant attention across various domains, particularly in critical applications like fraud detection in e-commerce platforms and insider threat detection in cybersecurity. Usually, these data are composed of multiple types (e.g., user information and transaction records for financial data), thus exhibiting view heterogeneity. However, in the era of big data, the heterogeneity of views and the lack of label information pose substantial challenges to traditional approaches. Existing unsupervised graph anomaly detection methods often struggle with high-dimensionality issues, rely on strong assumptions about graph structures or fail to handle complex multi-view graphs. To address these challenges, we propose a cluster aware multi-view graph anomaly detection method, called CARE. Our approach captures both local and global node affinities by augmenting the graph's adjacency matrix with the pseudo-label (i.e., soft membership assignments) without any strong assumption about the graph. To mitigate potential biases from the pseudo-label, we introduce a similarity-guided loss. Theoretically, we show that the proposed similarity-guided loss is a variant of contrastive learning loss, and we present how this loss alleviates the bias introduced by pseudo-label with the connection to graph spectral clustering. Experimental results on several datasets demonstrate the effectiveness and efficiency of our proposed framework. Specifically, CARE outperforms the second-best competitors by more than 39% on the Amazon dataset with respect to AUPRC and 18.7% on the YelpChi dataset with respect to AUROC. The code of our method is available at the GitHub link: https://github.com/zhenglecheng/CARE-demo.
Authors: RuiKang OuYang, Bo Qiang, Zixing Song, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Developing an efficient sampler capable of generating independent and identically distributed (IID) samples from a Boltzmann distribution is a crucial challenge in scientific research, e.g. molecular dynamics. In this work, we intend to learn neural samplers given energy functions instead of data sampled from the Boltzmann distribution. By learning the energies of the noised data, we propose a diffusion-based sampler, Noised Energy Matching, which theoretically has lower variance and more complexity compared to related works. Furthermore, a novel bootstrapping technique is applied to NEM to balance between bias and variance. We evaluate NEM and BNEM on a 2-dimensional 40 Gaussian Mixture Model (GMM) and a 4-particle double-well potential (DW-4). The experimental results demonstrate that BNEM can achieve state-of-the-art performance while being more robust.
Authors: Carlos E. Luis, Alessandro G. Bottero, Julia Vinogradska, Felix Berkenkamp, Jan Peters
Abstract: Optimal decision-making under partial observability requires reasoning about the uncertainty of the environment's hidden state. However, most reinforcement learning architectures handle partial observability with sequence models that have no internal mechanism to incorporate uncertainty in their hidden state representation, such as recurrent neural networks, deterministic state-space models and transformers. Inspired by advances in probabilistic world models for reinforcement learning, we propose a standalone Kalman filter layer that performs closed-form Gaussian inference in linear state-space models and train it end-to-end within a model-free architecture to maximize returns. Similar to efficient linear recurrent layers, the Kalman filter layer processes sequential data using a parallel scan, which scales logarithmically with the sequence length. By design, Kalman filter layers are a drop-in replacement for other recurrent layers in standard model-free architectures, but importantly they include an explicit mechanism for probabilistic filtering of the latent state representation. Experiments in a wide variety of tasks with partial observability show that Kalman filter layers excel in problems where uncertainty reasoning is key for decision-making, outperforming other stateful models.
Authors: Zhenyi Zhang, Tiejun Li, Peijie Zhou
Abstract: Reconstructing dynamics using samples from sparsely time-resolved snapshots is an important problem in both natural sciences and machine learning. Here, we introduce a new deep learning approach for solving regularized unbalanced optimal transport (RUOT) and inferring continuous unbalanced stochastic dynamics from observed snapshots. Based on the RUOT form, our method models these dynamics without requiring prior knowledge of growth and death processes or additional information, allowing them to be learned directly from data. Theoretically, we explore the connections between the RUOT and Schr\"odinger bridge problem and discuss the key challenges and potential solutions. The effectiveness of our method is demonstrated with a synthetic gene regulatory network, high-dimensional Gaussian Mixture Model, and single-cell RNA-seq data from blood development. Compared with other methods, our approach accurately identifies growth and transition patterns, eliminates false transitions, and constructs the Waddington developmental landscape. Our code is available at: https://github.com/zhenyiizhang/DeepRUOT.
Authors: Siddharth Joshi, Jiayi Ni, Baharan Mirzasoleiman
Abstract: Dataset distillation (DD) generates small synthetic datasets that can efficiently train deep networks with a limited amount of memory and compute. Despite the success of DD methods for supervised learning, DD for self-supervised pre-training of deep models has remained unaddressed. Pre-training on unlabeled data is crucial for efficiently generalizing to downstream tasks with limited labeled data. In this work, we propose the first effective DD method for SSL pre-training. First, we show, theoretically and empirically, that naive application of supervised DD methods to SSL fails, due to the high variance of the SSL gradient. Then, we address this issue by relying on insights from knowledge distillation (KD) literature. Specifically, we train a small student model to match the representations of a larger teacher model trained with SSL. Then, we generate a small synthetic dataset by matching the training trajectories of the student models. As the KD objective has considerably lower variance than SSL, our approach can generate synthetic datasets that can successfully pre-train high-quality encoders. Through extensive experiments, we show that our distilled sets lead to up to 13% higher accuracy than prior work, on a variety of downstream tasks, in the presence of limited labeled data. Code at https://github.com/BigML-CS-UCLA/MKDT.
Authors: Chang Zou, Xuyang Liu, Ting Liu, Siteng Huang, Linfeng Zhang
Abstract: Diffusion transformers have shown significant effectiveness in both image and video synthesis at the expense of huge computation costs. To address this problem, feature caching methods have been introduced to accelerate diffusion transformers by caching the features in previous timesteps and reusing them in the following timesteps. However, previous caching methods ignore that different tokens exhibit different sensitivities to feature caching, and feature caching on some tokens may lead to 10$\times$ more destruction to the overall generation quality compared with other tokens. In this paper, we introduce token-wise feature caching, allowing us to adaptively select the most suitable tokens for caching, and further enable us to apply different caching ratios to neural layers in different types and depths. Extensive experiments on PixArt-$\alpha$, OpenSora, and DiT demonstrate our effectiveness in both image and video generation with no requirements for training. For instance, 2.36$\times$ and 1.93$\times$ acceleration are achieved on OpenSora and PixArt-$\alpha$ with almost no drop in generation quality.
Authors: Jingyang Qiao, Zhizhong Zhang, Xin Tan, Yanyun Qu, Shouhong Ding, Yuan Xie
Abstract: Continual Instruction Tuning (CIT) is adopted to continually instruct Large Models to follow human intent data by data. It is observed that existing gradient update would heavily destroy the performance on previous datasets during CIT process. Instead, Exponential Moving Average (EMA), owns the ability to trace previous parameters, which can aid in decreasing forgetting. Nonetheless, its stable balance weight fails to deal with the ever-changing datasets, leading to the out-of-balance between plasticity and stability. In this paper, we propose a general continual instruction tuning framework to address the challenge. Starting from the trade-off prerequisite and EMA update, we propose the plasticity and stability ideal condition. Based on Taylor expansion in the loss function, we find the optimal balance weight can be automatically determined by the gradients and learned parameters. Therefore, we propose a stable-plasticity balanced coefficient to avoid knowledge confusion. Based on the semantic similarity of the instructions, we can determine whether to retrain or expand the training parameters and allocate the most suitable parameters for the testing instances. Extensive experiments across multiple continual instruction tuning benchmarks demonstrate that our approach not only enhances anti-forgetting capabilities but also significantly improves overall continual tuning performance. For example, based on LLaVA-7B, the forgetting is reduced from 5.42 to 1.93. Our code will be made publicly available soon.
Authors: Hyejun Jeong, Shiqing Ma, Amir Houmansadr
Abstract: Bias in machine learning models, particularly in Large Language Models, is a critical issue as these systems shape important societal decisions. While previous studies have examined bias in individual LLMs, comparisons of bias across models remain underexplored. To address this gap, we analyze 13 LLMs from five families, evaluating bias through output distribution across multiple dimensions using two datasets (4K and 1M questions). Our results show that fine-tuning has minimal impact on output distributions, and proprietary models tend to overly response as unknowns to minimize bias, compromising accuracy and utility. In addition, open-source models like Llama3-Chat and Gemma2-it demonstrate fairness comparable to proprietary models like GPT-4, challenging the assumption that larger, closed-source models are inherently less biased. We also find that bias scores for disambiguated questions are more extreme, raising concerns about reverse discrimination. These findings highlight the need for improved bias mitigation strategies and more comprehensive evaluation metrics for fairness in LLMs.
Authors: Guangji Bai, Yijiang Li, Zilinghan Li, Liang Zhao, Kibaek Kim
Abstract: Large Language Models (LLMs) achieve state-of-the-art performance but are challenging to deploy due to their high computational and storage demands. Pruning can reduce model size, yet existing methods assume public access to calibration data, which is impractical for privacy-sensitive applications. To address the challenge of pruning LLMs in privacy-preserving settings, we propose FedSpaLLM, the first federated learning framework designed specifically for pruning LLMs. FedSpaLLM enables clients to prune their models locally based on private data while accounting for system heterogeneity and maintaining communication efficiency. Our framework introduces several key innovations: (1) a novel $\ell_0$-norm aggregation function that ensures only non-zero weights are averaged across clients, preserving important model parameters; (2) an adaptive mask expansion technique that meets global sparsity targets while accommodating client-specific pruning decisions; and (3) a layer sampling strategy that reduces communication overhead and personalizes the pruning process based on client resources. Extensive experiments show that FedSpaLLM improves pruning performance in diverse federated settings.
Authors: Jon Irureta, Jon Imaz, Aizea Lojo, Javier Fernandez-Marques, Marco Gonz\'alez, I\~nigo Perona
Abstract: Existing Vertical FL (VFL) methods often struggle with realistic and unaligned data partitions, and incur into high communication costs and significant operational complexity. This work introduces a novel approach to VFL, Active Participant Centric VFL (APC-VFL), that excels in scenarios when data samples among participants are partially aligned at training. Among its strengths, APC-VFL only requires a single communication step with the active participant. This is made possible through a local and unsupervised representation learning stage at each participant followed by a knowledge distillation step in the active participant. Compared to other VFL methods such as SplitNN or VFedTrans, APC-VFL consistently outperforms them across three popular VFL datasets in terms of F1, accuracy and communication costs as the ratio of aligned data is reduced.
Authors: Eric Zhao, Tatjana Chavdarova, Michael Jordan
Abstract: Variational inequalities (VIs) are a broad class of optimization problems encompassing machine learning problems ranging from standard convex minimization to more complex scenarios like min-max optimization and computing the equilibria of multi-player games. In convex optimization, strong convexity allows for fast statistical learning rates requiring only $\Theta(1/\epsilon)$ stochastic first-order oracle calls to find an $\epsilon$-optimal solution, rather than the standard $\Theta(1/\epsilon^2)$ calls. This note provides a simple overview of how one can similarly obtain fast $\Theta(1/\epsilon)$ rates for learning VIs that satisfy strong monotonicity, a generalization of strong convexity. Specifically, we demonstrate that standard stability-based generalization arguments for convex minimization extend directly to VIs when the domain admits a small covering, or when the operator is integrable and suboptimality is measured by potential functions; such as when finding equilibria in multi-player games.
Authors: Tong Yang, Jincheng Mei, Hanjun Dai, Zixin Wen, Shicong Cen, Dale Schuurmans, Yuejie Chi, Bo Dai
Abstract: Recent advances in aligning large language models with human preferences have corroborated the growing importance of best-of-N distillation (BOND). However, the iterative BOND algorithm is prohibitively expensive in practice due to the sample and computation inefficiency. This paper addresses the problem by revealing a unified game-theoretic connection between iterative BOND and self-play alignment, which unifies seemingly disparate algorithmic paradigms. Based on the connection, we establish a novel framework, WIN rate Dominance (WIND), with a series of efficient algorithms for regularized win rate dominance optimization that approximates iterative BOND in the parameter space. We provides provable sample efficiency guarantee for one of the WIND variant with the square loss objective. The experimental results confirm that our algorithm not only accelerates the computation, but also achieves superior sample efficiency compared to existing methods.
Authors: Ruihuai Liang, Bo Yang, Pengyu Chen, Xianjin Li, Yifan Xue, Zhiwen Yu, Xuelin Cao, Yan Zhang, M\'erouane Debbah, H. Vincent Poor, Chau Yuen
Abstract: Network optimization is a fundamental challenge in the Internet of Things (IoT) network, often characterized by complex features that make it difficult to solve these problems. Recently, generative diffusion models (GDMs) have emerged as a promising new approach to network optimization, with the potential to directly address these optimization problems. However, the application of GDMs in this field is still in its early stages, and there is a noticeable lack of theoretical research and empirical findings. In this study, we first explore the intrinsic characteristics of generative models. Next, we provide a concise theoretical proof and intuitive demonstration of the advantages of generative models over discriminative models in network optimization. Based on this exploration, we implement GDMs as optimizers aimed at learning high-quality solution distributions for given inputs, sampling from these distributions during inference to approximate or achieve optimal solutions. Specifically, we utilize denoising diffusion probabilistic models (DDPMs) and employ a classifier-free guidance mechanism to manage conditional guidance based on input parameters. We conduct extensive experiments across three challenging network optimization problems. By investigating various model configurations and the principles of GDMs as optimizers, we demonstrate the ability to overcome prediction errors and validate the convergence of generated solutions to optimal solutions. We provide code and data at https://github.com/qiyu3816/DiffSG.
Authors: Heiko H. Sch\"utt
Abstract: Which neural networks are similar is a fundamental question for both machine learning and neuroscience. Here, I propose to base comparisons on the predictive distributions of linear readouts from intermediate representations. In Bayesian statistics, the prior predictive distribution is a full description of the inductive bias and generalization of a model, making it a great basis for comparisons. This distribution directly gives the evidence a dataset would provide in favor of the model. If we want to compare multiple models to each other, we can use a metric for probability distributions like the Jensen-Shannon distance or the total variation distance. As these are metrics, this induces pseudo-metrics for representations, which measure how well two representations could be distinguished based on a linear read out. For a linear readout with a Gaussian prior on the read-out weights and Gaussian noise, we can analytically compute the (prior and posterior) predictive distributions without approximations. These distributions depend only on the linear kernel matrix of the representations in the model. Thus, the Bayesian metrics connect linear read-out based comparisons to kernel based metrics like centered kernel alignment and representational similarity analysis. I demonstrate the new methods with deep neural networks trained on ImageNet-1k comparing them to each other and a small subset of the Natural Scenes Dataset. The Bayesian comparisons broadly agree with existing metrics, but are more stringent. Empirically, evaluations vary less across different random image samples and yield informative results with full uncertainty information. Thus the proposed Bayesian metrics nicely extend our toolkit for comparing representations.
Authors: Maximilian Fleissner, Gautham Govind Anil, Debarghya Ghoshdastidar
Abstract: The NTK is a widely used tool in the theoretical analysis of deep learning, allowing us to look at supervised deep neural networks through the lenses of kernel regression. Recently, several works have investigated kernel models for self-supervised learning, hypothesizing that these also shed light on the behavior of wide neural networks by virtue of the NTK. However, it remains an open question to what extent this connection is mathematically sound -- it is a commonly encountered misbelief that the kernel behavior of wide neural networks emerges irrespective of the loss function it is trained on. In this paper, we bridge the gap between the NTK and self-supervised learning, focusing on two-layer neural networks trained under the Barlow Twins loss. We prove that the NTK of Barlow Twins indeed becomes constant as the width of the network approaches infinity. Our analysis technique is a bit different from previous works on the NTK and may be of independent interest. Overall, our work provides a first justification for the use of classic kernel theory to understand self-supervised learning of wide neural networks. Building on this result, we derive generalization error bounds for kernelized Barlow Twins and connect them to neural networks of finite width.
Authors: Cynthia Dwork, Pranay Tankala, Linjun Zhang
Abstract: We initiate the study of differentially private learning in the proportional dimensionality regime, in which the number of data samples $n$ and problem dimension $d$ approach infinity at rates proportional to one another, meaning that $d/n\to\delta$ as $n\to\infty$ for an arbitrary, given constant $\delta\in(0,\infty)$. This setting is significantly more challenging than that of all prior theoretical work in high-dimensional differentially private learning, which, despite the name, has assumed that $\delta = 0$ or is sufficiently small for problems of sample complexity $O(d)$, a regime typically considered "low-dimensional" or "classical" by modern standards in high-dimensional statistics. We provide sharp theoretical estimates of the error of several well-studied differentially private algorithms for robust linear regression and logistic regression, including output perturbation, objective perturbation, and noisy stochastic gradient descent, in the proportional dimensionality regime. The $1+o(1)$ factor precision of our error estimates enables a far more nuanced understanding of the price of privacy of these algorithms than that afforded by existing, coarser analyses, which are essentially vacuous in the regime we consider. Using our estimates, we discover a previously unobserved "double descent"-like phenomenon in the training error of objective perturbation for robust linear regression. We also identify settings in which output perturbation outperforms objective perturbation on average, and vice versa, demonstrating that the relative performance of these algorithms is less clear-cut than suggested by prior work. To prove our main theorems, we introduce several probabilistic tools that have not previously been used to analyze differentially private learning algorithms, such as a modern Gaussian comparison inequality and recent universality laws with origins in statistical physics.
Authors: Biqi Chen, Ying Wang
Abstract: Dynamic Mode Decomposition (DMD) has received increasing research attention due to its capability to analyze and model complex dynamical systems. However, it faces challenges in computational efficiency, noise sensitivity, and difficulty adhering to physical laws, which negatively affect its performance. Addressing these issues, we present Online Physics-informed DMD (OPIDMD), a novel adaptation of DMD into a convex optimization framework. This approach not only ensures convergence to a unique global optimum, but also enhances the efficiency and accuracy of modeling dynamical systems in an online setting. Leveraging the Bayesian DMD framework, we propose a probabilistic interpretation of Physics-informed DMD (piDMD), examining the impact of physical constraints on the DMD linear operator. Further, we implement online proximal gradient descent and formulate specific algorithms to tackle problems with different physical constraints, enabling real-time solutions across various scenarios. Compared with existing algorithms such as Exact DMD, Online DMD, and piDMD, OPIDMD achieves the best prediction performance in short-term forecasting, e.g. an $R^2$ value of 0.991 for noisy Lorenz system. The proposed method employs a time-varying linear operator, offering a promising solution for the real-time simulation and control of complex dynamical systems.
Authors: Yuzhuang Xu, Shiyu Ji, Qingfu Zhu, Wanxiang Che
Abstract: Powerful large language models (LLMs) are increasingly expected to be deployed with lower computational costs, enabling their capabilities on resource-constrained devices. Post-training quantization (PTQ) has emerged as a star approach to achieve this ambition, with best methods compressing weights to less than 2 bit on average. In this paper, we propose Channel-Relaxed Vector Quantization (CRVQ), a novel technique that significantly improves the performance of PTQ baselines at the cost of only minimal additional bits. This state-of-the-art extreme compression method achieves its results through two key innovations: (1) carefully selecting and reordering a very small subset of critical weight channels, and (2) leveraging extended codebooks to relax the constraint of critical channels. With our method, we demonstrate a 38.9\% improvement over the current strongest sub-2-bit PTQ baseline, enabling nearer lossless 1-bit compression. Furthermore, our approach offers flexible customization of quantization bit-width and performance, providing a wider range of deployment options for diverse hardware platforms.
Authors: Annie D'souza, Swetha M, Sunita Sarawagi
Abstract: Handling imbalance in class distribution when building a classifier over tabular data has been a problem of long-standing interest. One popular approach is augmenting the training dataset with synthetically generated data. While classical augmentation techniques were limited to linear interpolation of existing minority class examples, recently higher capacity deep generative models are providing greater promise. However, handling of imbalance in class distribution when building a deep generative model is also a challenging problem, that has not been studied as extensively as imbalanced classifier model training. We show that state-of-the-art deep generative models yield significantly lower-quality minority examples than majority examples. %In this paper, we start with the observation that imbalanced data training of generative models trained imbalanced dataset which under-represent the minority class. We propose a novel technique of converting the binary class labels to ternary class labels by introducing a class for the region where minority and majority distributions overlap. We show that just this pre-processing of the training set, significantly improves the quality of data generated spanning several state-of-the-art diffusion and GAN-based models. While training the classifier using synthetic data, we remove the overlap class from the training data and justify the reasons behind the enhanced accuracy. We perform extensive experiments on four real-life datasets, five different classifiers, and five generative models demonstrating that our method enhances not only the synthesizer performance of state-of-the-art models but also the classifier performance.
Authors: Chao Zeng, Songwei Liu, Shu Yang, Fangmin Chen, Xing Mei, Lean Fu
Abstract: Model compression has emerged as a mainstream solution to reduce memory usage and computational overhead. This paper presents Group Quantization and Sparse Acceleration (GQSA), a novel compression technique tailored for LLMs. Traditional methods typically focus exclusively on either quantization or sparsification, but relying on a single strategy often results in significant performance loss at high compression rates. In contrast, GQSA integrates quantization and sparsification in a tightly coupled manner, leveraging GPU-friendly structured group sparsity and quantization for efficient acceleration. Building upon system-algorithm co-design principles, we propose a two-stage sparse optimization strategy that ensures the performance superiority of the compressed model. On the engine side, we introduce a "task-centric" parallel strategy, which, to the best of our knowledge, is the first application in the domain of sparse computing. Compared to the traditional 2:4 sparse method, the GQSA offers a more flexible and adjustable sparsity rate, as well as a higher weight compression rate, and is efficiently compatible with weight-only quantization methods. Experimental results demonstrate that, under the GQSA W4S50% compression setting, the model's accuracy surpasses that of both 2:4 pruning and W2 quantization. Furthermore, at the inference level, GQSA outperforms W2 by 1.26$\times$ and 2:4 pruning by 2.35$\times$ in terms of speed.
Authors: Antoine Ledent, Peng Liu
Abstract: Balancing predictive power and interpretability has long been a challenging research area, particularly in powerful yet complex models like neural networks, where nonlinearity obstructs direct interpretation. This paper introduces a novel approach to constructing an explainable neural network that harmonizes predictiveness and explainability. Our model, termed SparXnet, is designed as a linear combination of a sparse set of jointly learned features, each derived from a different trainable function applied to a single 1-dimensional input feature. Leveraging the ability to learn arbitrarily complex relationships, our neural network architecture enables automatic selection of a sparse set of important features, with the final prediction being a linear combination of rescaled versions of these features. We demonstrate the ability to select significant features while maintaining comparable predictive performance and direct interpretability through extensive experiments on synthetic and real-world datasets. We also provide theoretical analysis on the generalization bounds of our framework, which is favorably linear in the number of selected features and only logarithmic in the number of input features. We further lift any dependence of sample complexity on the number of parameters or the architectural details under very mild conditions. Our research paves the way for further research on sparse and explainable neural networks with guarantee.
Authors: Long Phan (Michael Pokorny), Alice Gatti (Michael Pokorny), Ziwen Han (Michael Pokorny), Nathaniel Li (Michael Pokorny), Josephina Hu (Michael Pokorny), Hugh Zhang (Michael Pokorny), Chen Bo Calvin Zhang (Michael Pokorny), Mohamed Shaaban (Michael Pokorny), John Ling (Michael Pokorny), Sean Shi (Michael Pokorny), Michael Choi (Michael Pokorny), Anish Agrawal (Michael Pokorny), Arnav Chopra (Michael Pokorny), Adam Khoja (Michael Pokorny), Ryan Kim (Michael Pokorny), Richard Ren (Michael Pokorny), Jason Hausenloy (Michael Pokorny), Oliver Zhang (Michael Pokorny), Mantas Mazeika (Michael Pokorny), Tung Nguyen (Michael Pokorny), Daron Anderson (Michael Pokorny), Imad Ali Shah (Michael Pokorny), Mikhail Doroshenko (Michael Pokorny), Alun Cennyth Stokes (Michael Pokorny), Mobeen Mahmood (Michael Pokorny), Jaeho Lee (Michael Pokorny), Oleksandr Pokutnyi (Michael Pokorny), Oleg Iskra (Michael Pokorny), Jessica P. Wang (Michael Pokorny), Robert Gerbicz (Michael Pokorny), John-Clark Levin (Michael Pokorny), Serguei Popov (Michael Pokorny), Fiona Feng (Michael Pokorny), Steven Y. Feng (Michael Pokorny), Haoran Zhao (Michael Pokorny), Michael Yu (Michael Pokorny), Varun Gangal (Michael Pokorny), Chelsea Zou (Michael Pokorny), Zihan Wang (Michael Pokorny), Mstyslav Kazakov (Michael Pokorny), Geoff Galgon (Michael Pokorny), Johannes Schmitt (Michael Pokorny), Alvaro Sanchez (Michael Pokorny), Yongki Lee (Michael Pokorny), Will Yeadon (Michael Pokorny), Scott Sauers (Michael Pokorny), Marc Roth (Michael Pokorny), Chidozie Agu (Michael Pokorny), S{\o}ren Riis (Michael Pokorny), Fabian Giska (Michael Pokorny), Saiteja Utpala (Michael Pokorny), Antrell Cheatom (Michael Pokorny), Zachary Giboney (Michael Pokorny), Gashaw M. Goshu (Michael Pokorny), Sarah-Jane Crowson (Michael Pokorny), Mohinder Maheshbhai Naiya (Michael Pokorny), Noah Burns (Michael Pokorny), Lennart Finke (Michael Pokorny), Zerui Cheng (Michael Pokorny), Hyunwoo Park (Michael Pokorny), Francesco Fournier-Facio (Michael Pokorny), Jennifer Zampese (Michael Pokorny), John Wydallis (Michael Pokorny), John B. Wydallis (Michael Pokorny), Ryan G. Hoerr (Michael Pokorny), Mark Nandor (Michael Pokorny), Tim Gehrunger (Michael Pokorny), Jiaqi Cai (Michael Pokorny), Ben McCarty (Michael Pokorny), Jungbae Nam (Michael Pokorny), Edwin Taylor (Michael Pokorny), Jun Jin (Michael Pokorny), Gautier Abou Loume (Michael Pokorny), Hangrui Cao (Michael Pokorny), Alexis C Garretson (Michael Pokorny), Damien Sileo (Michael Pokorny), Qiuyu Ren (Michael Pokorny), Doru Cojoc (Michael Pokorny), Pavel Arkhipov (Michael Pokorny), Usman Qazi (Michael Pokorny), Aras Bacho (Michael Pokorny), Lianghui Li (Michael Pokorny), Sumeet Motwani (Michael Pokorny), Christian Schroeder de Witt (Michael Pokorny), Alexei Kopylov (Michael Pokorny), Johannes Veith (Michael Pokorny), Eric Singer (Michael Pokorny), Paolo Rissone (Michael Pokorny), Jaehyeok Jin (Michael Pokorny), Jack Wei Lun Shi (Michael Pokorny), Chris G. Willcocks (Michael Pokorny), Ameya Prabhu (Michael Pokorny), Longke Tang (Michael Pokorny), Kevin Zhou (Michael Pokorny), Emily de Oliveira Santos (Michael Pokorny), Andrey Pupasov Maksimov (Michael Pokorny), Edward Vendrow (Michael Pokorny), Kengo Zenitani (Michael Pokorny), Joshua Robinson (Michael Pokorny), Aleksandar Mikov (Michael Pokorny), Julien Guillod (Michael Pokorny), Yuqi Li (Michael Pokorny), Ben Pageler (Michael Pokorny), Joshua Vendrow (Michael Pokorny), Vladyslav Kuchkin (Michael Pokorny), Pierre Marion (Michael Pokorny), Denis Efremov (Michael Pokorny), Jayson Lynch (Michael Pokorny), Kaiqu Liang (Michael Pokorny), Andrew Gritsevskiy (Michael Pokorny), Dakotah Martinez (Michael Pokorny), Nick Crispino (Michael Pokorny), Dimitri Zvonkine (Michael Pokorny), Natanael Wildner Fraga (Michael Pokorny), Saeed Soori (Michael Pokorny), Ori Press (Michael Pokorny), Henry Tang (Michael Pokorny), Julian Salazar (Michael Pokorny), Sean R. Green (Michael Pokorny), Lina Br\"ussel (Michael Pokorny), Moon Twayana (Michael Pokorny), Aymeric Dieuleveut (Michael Pokorny), T. Ryan Rogers (Michael Pokorny), Wenjin Zhang (Michael Pokorny), Ross Finocchio (Michael Pokorny), Bikun Li (Michael Pokorny), Jinzhou Yang (Michael Pokorny), Arun Rao (Michael Pokorny), Gabriel Loiseau (Michael Pokorny), Mikhail Kalinin (Michael Pokorny), Marco Lukas (Michael Pokorny), Ciprian Manolescu (Michael Pokorny), Nate Stambaugh (Michael Pokorny), Subrata Mishra (Michael Pokorny), Ariel Ghislain Kemogne Kamdoum (Michael Pokorny), Tad Hogg (Michael Pokorny), Alvin Jin (Michael Pokorny), Carlo Bosio (Michael Pokorny), Gongbo Sun (Michael Pokorny), Brian P Coppola (Michael Pokorny), Haline Heidinger (Michael Pokorny), Rafael Sayous (Michael Pokorny), Stefan Ivanov (Michael Pokorny), Joseph M Cavanagh (Michael Pokorny), Jiawei Shen (Michael Pokorny), Joseph Marvin Imperial (Michael Pokorny), Philippe Schwaller (Michael Pokorny), Shaipranesh Senthilkuma (Michael Pokorny), Andres M Bran (Michael Pokorny), Andres Algaba (Michael Pokorny), Brecht Verbeken (Michael Pokorny), Kelsey Van den Houte (Michael Pokorny), Lynn Van Der Sypt (Michael Pokorny), David Noever (Michael Pokorny), Lisa Schut (Michael Pokorny), Ilia Sucholutsky (Michael Pokorny), Evgenii Zheltonozhskii (Michael Pokorny), Qiaochu Yuan (Michael Pokorny), Derek Lim (Michael Pokorny), Richard Stanley (Michael Pokorny), Shankar Sivarajan (Michael Pokorny), Tong Yang (Michael Pokorny), John Maar (Michael Pokorny), Julian Wykowski (Michael Pokorny), Mart\'i Oller (Michael Pokorny), Jennifer Sandlin (Michael Pokorny), Anmol Sahu (Michael Pokorny), Cesare Giulio Ardito (Michael Pokorny), Yuzheng Hu (Michael Pokorny), Felipe Meneguitti Dias (Michael Pokorny), Tobias Kreiman (Michael Pokorny), Kaivalya Rawal (Michael Pokorny), Tobias Garcia Vilchis (Michael Pokorny), Yuexuan Zu (Michael Pokorny), Martin Lackner (Michael Pokorny), James Koppel (Michael Pokorny), Jeremy Nguyen (Michael Pokorny), Daniil S. Antonenko (Michael Pokorny), Steffi Chern (Michael Pokorny), Bingchen Zhao (Michael Pokorny), Pierrot Arsene (Michael Pokorny), Sergey Ivanov (Michael Pokorny), Rafa{\l} Po\'swiata (Michael Pokorny), Chenguang Wang (Michael Pokorny), Daofeng Li (Michael Pokorny), Donato Crisostomi (Michael Pokorny), Ali Dehghan (Michael Pokorny), Andrea Achilleos (Michael Pokorny), John Arnold Ambay (Michael Pokorny), Benjamin Myklebust (Michael Pokorny), Archan Sen (Michael Pokorny), David Perrella (Michael Pokorny), Nurdin Kaparov (Michael Pokorny), Mark H Inlow (Michael Pokorny), Allen Zang (Michael Pokorny), Kalyan Ramakrishnan (Michael Pokorny), Daniil Orel (Michael Pokorny), Vladislav Poritski (Michael Pokorny), Shalev Ben-David (Michael Pokorny), Zachary Berger (Michael Pokorny), Parker Whitfill (Michael Pokorny), Michael Foster (Michael Pokorny), Daniel Munro (Michael Pokorny), Linh Ho (Michael Pokorny), Dan Bar Hava (Michael Pokorny), Aleksey Kuchkin (Michael Pokorny), Robert Lauff (Michael Pokorny), David Holmes (Michael Pokorny), Frank Sommerhage (Michael Pokorny), Anji Zhang (Michael Pokorny), Richard Moat (Michael Pokorny), Keith Schneider (Michael Pokorny), Daniel Pyda (Michael Pokorny), Zakayo Kazibwe (Michael Pokorny), Mukhwinder Singh (Michael Pokorny), Don Clarke (Michael Pokorny), Dae Hyun Kim (Michael Pokorny), Sara Fish (Michael Pokorny), Veit Elser (Michael Pokorny), Victor Efren Guadarrama Vilchis (Michael Pokorny), Immo Klose (Michael Pokorny), Christoph Demian (Michael Pokorny), Ujjwala Anantheswaran (Michael Pokorny), Adam Zweiger (Michael Pokorny), Guglielmo Albani (Michael Pokorny), Jeffery Li (Michael Pokorny), Nicolas Daans (Michael Pokorny), Maksim Radionov (Michael Pokorny), V\'aclav Rozho\v{n} (Michael Pokorny), Vincent Ginis (Michael Pokorny), Ziqiao Ma (Michael Pokorny), Christian Stump (Michael Pokorny), Jacob Platnick (Michael Pokorny), Volodymyr Nevirkovets (Michael Pokorny), Luke Basler (Michael Pokorny), Marco Piccardo (Michael Pokorny), Niv Cohen (Michael Pokorny), Virendra Singh (Michael Pokorny), Josef Tkadlec (Michael Pokorny), Paul Rosu (Michael Pokorny), Alan Goldfarb (Michael Pokorny), Piotr Padlewski (Michael Pokorny), Stanislaw Barzowski (Michael Pokorny), Kyle Montgomery (Michael Pokorny), Aline Menezes (Michael Pokorny), Arkil Patel (Michael Pokorny), Zixuan Wang (Michael Pokorny), Jamie Tucker-Foltz (Michael Pokorny), Jack Stade (Michael Pokorny), Declan Grabb (Michael Pokorny), Tom Goertzen (Michael Pokorny), Fereshteh Kazemi (Michael Pokorny), Jeremiah Milbauer (Michael Pokorny), Abhishek Shukla (Michael Pokorny), Hossam Elgnainy (Michael Pokorny), Yan Carlos Leyva Labrador (Michael Pokorny), Hao He (Michael Pokorny), Ling Zhang (Michael Pokorny), Alan Givr\'e (Michael Pokorny), Hew Wolff (Michael Pokorny), G\"ozdenur Demir (Michael Pokorny), Muhammad Fayez Aziz (Michael Pokorny), Younesse Kaddar (Michael Pokorny), Ivar \"Angquist (Michael Pokorny), Yanxu Chen (Michael Pokorny), Elliott Thornley (Michael Pokorny), Robin Zhang (Michael Pokorny), Jiayi Pan (Michael Pokorny), Antonio Terpin (Michael Pokorny), Niklas Muennighoff (Michael Pokorny), Hailey Schoelkopf (Michael Pokorny), Eric Zheng (Michael Pokorny), Avishy Carmi (Michael Pokorny), Jainam Shah (Michael Pokorny), Ethan D. L. Brown (Michael Pokorny), Kelin Zhu (Michael Pokorny), Max Bartolo (Michael Pokorny), Richard Wheeler (Michael Pokorny), Andrew Ho (Michael Pokorny), Shaul Barkan (Michael Pokorny), Jiaqi Wang (Michael Pokorny), Martin Stehberger (Michael Pokorny), Egor Kretov (Michael Pokorny), Peter Bradshaw (Michael Pokorny), JP Heimonen (Michael Pokorny), Kaustubh Sridhar (Michael Pokorny), Zaki Hossain (Michael Pokorny), Ido Akov (Michael Pokorny), Yury Makarychev (Michael Pokorny), Joanna Tam (Michael Pokorny), Hieu Hoang (Michael Pokorny), David M. Cunningham (Michael Pokorny), Vladimir Goryachev (Michael Pokorny), Demosthenes Patramanis (Michael Pokorny), Michael Krause (Michael Pokorny), Andrew Redenti (Michael Pokorny), David Aldous (Michael Pokorny), Jesyin Lai (Michael Pokorny), Shannon Coleman (Michael Pokorny), Jiangnan Xu (Michael Pokorny), Sangwon Lee (Michael Pokorny), Ilias Magoulas (Michael Pokorny), Sandy Zhao (Michael Pokorny), Ning Tang (Michael Pokorny), Michael K. Cohen (Michael Pokorny), Micah Carroll (Michael Pokorny), Orr Paradise (Michael Pokorny), Jan Hendrik Kirchner (Michael Pokorny), Stefan Steinerberger (Michael Pokorny), Maksym Ovchynnikov (Michael Pokorny), Jason O. Matos (Michael Pokorny), Adithya Shenoy (Michael Pokorny), Michael Wang (Michael Pokorny), Yuzhou Nie (Michael Pokorny), Paolo Giordano (Michael Pokorny), Philipp Petersen (Michael Pokorny), Anna Sztyber-Betley (Michael Pokorny), Paolo Faraboschi (Michael Pokorny), Robin Riblet (Michael Pokorny), Jonathan Crozier (Michael Pokorny), Shiv Halasyamani (Michael Pokorny), Antonella Pinto (Michael Pokorny), Shreyas Verma (Michael Pokorny), Prashant Joshi (Michael Pokorny), Eli Meril (Michael Pokorny), Zheng-Xin Yong (Michael Pokorny), Allison Tee (Michael Pokorny), J\'er\'emy Andr\'eoletti (Michael Pokorny), Orion Weller (Michael Pokorny), Raghav Singhal (Michael Pokorny), Gang Zhang (Michael Pokorny), Alexander Ivanov (Michael Pokorny), Seri Khoury (Michael Pokorny), Nils Gustafsson (Michael Pokorny), Hamid Mostaghimi (Michael Pokorny), Kunvar Thaman (Michael Pokorny), Qijia Chen (Michael Pokorny), Tran Quoc Kh\'anh (Michael Pokorny), Jacob Loader (Michael Pokorny), Stefano Cavalleri (Michael Pokorny), Hannah Szlyk (Michael Pokorny), Zachary Brown (Michael Pokorny), Himanshu Narayan (Michael Pokorny), Jonathan Roberts (Michael Pokorny), William Alley (Michael Pokorny), Kunyang Sun (Michael Pokorny), Ryan Stendall (Michael Pokorny), Max Lamparth (Michael Pokorny), Anka Reuel (Michael Pokorny), Ting Wang (Michael Pokorny), Hanmeng Xu (Michael Pokorny), Pablo Hern\'andez-C\'amara (Michael Pokorny), Freddie Martin (Michael Pokorny), Thomas Preu (Michael Pokorny), Tomek Korbak (Michael Pokorny), Marcus Abramovitch (Michael Pokorny), Dominic Williamson (Michael Pokorny), Ida Bosio (Michael Pokorny), Ziye Chen (Michael Pokorny), Bir\'o B\'alint (Michael Pokorny), Eve J. Y. Lo (Michael Pokorny), Maria In\^es S. Nunes (Michael Pokorny), Yibo Jiang (Michael Pokorny), M Saiful Bari (Michael Pokorny), Peyman Kassani (Michael Pokorny), Zihao Wang (Michael Pokorny), Behzad Ansarinejad (Michael Pokorny), Yewen Sun (Michael Pokorny), Stephane Durand (Michael Pokorny), Guillaume Douville (Michael Pokorny), Daniel Tordera (Michael Pokorny), George Balabanian (Michael Pokorny), Earth Anderson (Michael Pokorny), Lynna Kvistad (Michael Pokorny), Alejandro Jos\'e Moyano (Michael Pokorny), Hsiaoyun Milliron (Michael Pokorny), Ahmad Sakor (Michael Pokorny), Murat Eron (Michael Pokorny), Isaac C. McAlister (Michael Pokorny), Andrew Favre D. O. (Michael Pokorny), Shailesh Shah (Michael Pokorny), Xiaoxiang Zhou (Michael Pokorny), Firuz Kamalov (Michael Pokorny), Ronald Clark (Michael Pokorny), Sherwin Abdoli (Michael Pokorny), Tim Santens (Michael Pokorny), Harrison K Wang (Michael Pokorny), Evan Chen (Michael Pokorny), Alessandro Tomasiello (Michael Pokorny), G. Bruno De Luca (Michael Pokorny), Shi-Zhuo Looi (Michael Pokorny), Vinh-Kha Le (Michael Pokorny), Noam Kolt (Michael Pokorny), Niels M\"undler (Michael Pokorny), Avi Semler (Michael Pokorny), Emma Rodman (Michael Pokorny), Jacob Drori (Michael Pokorny), Carl J Fossum (Michael Pokorny), Luk Gloor (Michael Pokorny), Milind Jagota (Michael Pokorny), Ronak Pradeep (Michael Pokorny), Honglu Fan (Michael Pokorny), Tej Shah (Michael Pokorny), Jonathan Eicher (Michael Pokorny), Michael Chen (Michael Pokorny), Kushal Thaman (Michael Pokorny), William Merrill (Michael Pokorny), Moritz Firsching (Michael Pokorny), Carter Harris (Michael Pokorny), Stefan Ciob\^ac\u{a} (Michael Pokorny), Jason Gross (Michael Pokorny), Rohan Pandey (Michael Pokorny), Ilya Gusev (Michael Pokorny), Adam Jones (Michael Pokorny), Shashank Agnihotri (Michael Pokorny), Pavel Zhelnov (Michael Pokorny), Siranut Usawasutsakorn (Michael Pokorny), Mohammadreza Mofayezi (Michael Pokorny), Alexander Piperski (Michael Pokorny), Marc Carauleanu (Michael Pokorny), David K. Zhang (Michael Pokorny), Kostiantyn Dobarskyi (Michael Pokorny), Dylan Ler (Michael Pokorny), Roman Leventov (Michael Pokorny), Ignat Soroko (Michael Pokorny), Thorben Jansen (Michael Pokorny), Scott Creighton (Michael Pokorny), Pascal Lauer (Michael Pokorny), Joshua Duersch (Michael Pokorny), Vage Taamazyan (Michael Pokorny), Dario Bezzi (Michael Pokorny), Wiktor Morak (Michael Pokorny), Wenjie Ma (Michael Pokorny), William Held (Michael Pokorny), Tran {\DJ}uc Huy (Michael Pokorny), Ruicheng Xian (Michael Pokorny), Armel Randy Zebaze (Michael Pokorny), Mohanad Mohamed (Michael Pokorny), Julian Noah Leser (Michael Pokorny), Michelle X Yuan (Michael Pokorny), Laila Yacar (Michael Pokorny), Johannes Lengler (Michael Pokorny), Katarzyna Olszewska (Michael Pokorny), Hossein Shahrtash (Michael Pokorny), Edson Oliveira (Michael Pokorny), Joseph W. Jackson (Michael Pokorny), Daniel Espinosa Gonzalez (Michael Pokorny), Andy Zou (Michael Pokorny), Muthu Chidambaram (Michael Pokorny), Timothy Manik (Michael Pokorny), Hector Haffenden (Michael Pokorny), Dashiell Stander (Michael Pokorny), Ali Dasouqi (Michael Pokorny), Alexander Shen (Michael Pokorny), Emilien Duc (Michael Pokorny), Bita Golshani (Michael Pokorny), David Stap (Michael Pokorny), Mikalai Uzhou (Michael Pokorny), Alina Borisovna Zhidkovskaya (Michael Pokorny), Lukas Lewark (Michael Pokorny), Miguel Orbegozo Rodriguez (Michael Pokorny), M\'aty\'as Vincze (Michael Pokorny), Dustin Wehr (Michael Pokorny), Colin Tang (Michael Pokorny), Shaun Phillips (Michael Pokorny), Fortuna Samuele (Michael Pokorny), Jiang Muzhen (Michael Pokorny), Fredrik Ekstr\"om (Michael Pokorny), Angela Hammon (Michael Pokorny), Oam Patel (Michael Pokorny), Faraz Farhidi (Michael Pokorny), George Medley (Michael Pokorny), Forough Mohammadzadeh (Michael Pokorny), Madellene Pe\~naflor (Michael Pokorny), Haile Kassahun (Michael Pokorny), Alena Friedrich (Michael Pokorny), Claire Sparrow (Michael Pokorny), Rayner Hernandez Perez (Michael Pokorny), Taom Sakal (Michael Pokorny), Omkar Dhamane (Michael Pokorny), Ali Khajegili Mirabadi (Michael Pokorny), Eric Hallman (Michael Pokorny), Kenchi Okutsu (Michael Pokorny), Mike Battaglia (Michael Pokorny), Mohammad Maghsoudimehrabani (Michael Pokorny), Alon Amit (Michael Pokorny), Dave Hulbert (Michael Pokorny), Roberto Pereira (Michael Pokorny), Simon Weber (Michael Pokorny), Handoko (Michael Pokorny), Anton Peristyy (Michael Pokorny), Stephen Malina (Michael Pokorny), Samuel Albanie (Michael Pokorny), Will Cai (Michael Pokorny), Mustafa Mehkary (Michael Pokorny), Rami Aly (Michael Pokorny), Frank Reidegeld (Michael Pokorny), Anna-Katharina Dick (Michael Pokorny), Cary Friday (Michael Pokorny), Jasdeep Sidhu (Michael Pokorny), Hassan Shapourian (Michael Pokorny), Wanyoung Kim (Michael Pokorny), Mariana Costa (Michael Pokorny), Hubeyb Gurdogan (Michael Pokorny), Brian Weber (Michael Pokorny), Harsh Kumar (Michael Pokorny), Tong Jiang (Michael Pokorny), Arunim Agarwal (Michael Pokorny), Chiara Ceconello (Michael Pokorny), Warren S. Vaz (Michael Pokorny), Chao Zhuang (Michael Pokorny), Haon Park (Michael Pokorny), Andrew R. Tawfeek (Michael Pokorny), Daattavya Aggarwal (Michael Pokorny), Michael Kirchhof (Michael Pokorny), Linjie Dai (Michael Pokorny), Evan Kim (Michael Pokorny), Johan Ferret (Michael Pokorny), Yuzhou Wang (Michael Pokorny), Minghao Yan (Michael Pokorny), Krzysztof Burdzy (Michael Pokorny), Lixin Zhang (Michael Pokorny), Antonio Franca (Michael Pokorny), Diana T. Pham (Michael Pokorny), Kang Yong Loh (Michael Pokorny), Joshua Robinson (Michael Pokorny), Abram Jackson (Michael Pokorny), Shreen Gul (Michael Pokorny), Gunjan Chhablani (Michael Pokorny), Zhehang Du (Michael Pokorny), Adrian Cosma (Michael Pokorny), Jesus Colino (Michael Pokorny), Colin White (Michael Pokorny), Jacob Votava (Michael Pokorny), Vladimir Vinnikov (Michael Pokorny), Ethan Delaney (Michael Pokorny), Petr Spelda (Michael Pokorny), Vit Stritecky (Michael Pokorny), Syed M. Shahid (Michael Pokorny), Jean-Christophe Mourrat (Michael Pokorny), Lavr Vetoshkin (Michael Pokorny), Koen Sponselee (Michael Pokorny), Renas Bacho (Michael Pokorny), Florencia de la Rosa (Michael Pokorny), Xiuyu Li (Michael Pokorny), Guillaume Malod (Michael Pokorny), Leon Lang (Michael Pokorny), Julien Laurendeau (Michael Pokorny), Dmitry Kazakov (Michael Pokorny), Fatimah Adesanya (Michael Pokorny), Julien Portier (Michael Pokorny), Lawrence Hollom (Michael Pokorny), Victor Souza (Michael Pokorny), Yuchen Anna Zhou (Michael Pokorny), Julien Degorre (Michael Pokorny), Yi\u{g}it Yal{\i}n (Michael Pokorny), Gbenga Daniel Obikoya (Michael Pokorny), Luca Arnaboldi (Michael Pokorny), Rai (Michael Pokorny), Filippo Bigi (Quinn), M. C. Bosc\'a (Quinn), Oleg Shumar (Quinn), Kaniuar Bacho (Quinn), Pierre Clavier (Quinn), Gabriel Recchia (Quinn), Mara Popescu (Quinn), Nikita Shulga (Quinn), Ngefor Mildred Tanwie (Quinn), Denis Peskoff (Quinn), Thomas C. H. Lux (Quinn), Ben Rank (Quinn), Colin Ni (Quinn), Matthew Brooks (Quinn), Alesia Yakimchyk (Quinn), Huanxu (Quinn), Liu (Tony), Olle H\"aggstr\"om (Tony), Emil Verkama (Tony), Hans Gundlach (Tony), Leonor Brito-Santana (Tony), Brian Amaro (Tony), Vivek Vajipey (Tony), Rynaa Grover (Tony), Yiyang Fan (Tony), Gabriel Poesia Reis e Silva (Tony), Linwei Xin (Tony), Yosi Kratish (Tony), Jakub {\L}ucki (Tony), Wen-Ding Li (Tony), Sivakanth Gopi (Tony), Andrea Caciolai (Tony), Justin Xu (Tony), Kevin Joseph Scaria (Tony), Freddie Vargus (Tony), Farzad Habibi (Tony), Long (Tony), Lian, Emanuele Rodol\`a, Jules Robins, Vincent Cheng, Tony Fruhauff, Brad Raynor, Hao Qi, Xi Jiang, Ben Segev, Jingxuan Fan, Sarah Martinson, Erik Y. Wang, Kaylie Hausknecht, Michael P. Brenner, Mao Mao, Xinyu Zhang, David Avagian, Eshawn Jessica Scipio, Alon Ragoler, Justin Tan, Blake Sims, Rebeka Plecnik, Aaron Kirtland, Omer Faruk Bodur, D. P. Shinde, Zahra Adoul, Mohamed Zekry, Ali Karakoc, Tania C. B. Santos, Samir Shamseldeen, Loukmane Karim, Anna Liakhovitskaia, Nate Resman, Nicholas Farina, Juan Carlos Gonzalez, Gabe Maayan, Sarah Hoback, Rodrigo De Oliveira Pena, Glen Sherman, Elizabeth Kelley, Hodjat Mariji, Rasoul Pouriamanesh, Wentao Wu, Sandra Mendoza, Ismail Alarab, Joshua Cole, Danyelle Ferreira, Bryan Johnson, Mohammad Safdari, Liangti Dai, Siriphan Arthornthurasuk, Alexey Pronin, Jing Fan, Angel Ramirez-Trinidad, Ashley Cartwright, Daphiny Pottmaier, Omid Taheri, David Outevsky, Stanley Stepanic, Samuel Perry, Luke Askew, Ra\'ul Adri\'an Huerta Rodr\'iguez, Ali M. R. Minissi, Sam Ali, Ricardo Lorena, Krishnamurthy Iyer, Arshad Anil Fasiludeen, Sk Md Salauddin, Murat Islam, Juan Gonzalez, Josh Ducey, Maja Somrak, Vasilios Mavroudis, Eric Vergo, Juehang Qin, Benj\'amin Borb\'as, Eric Chu, Jack Lindsey, Anil Radhakrishnan, Antoine Jallon, I. M. J. McInnis, Pawan Kumar, Laxman Prasad Goswami, Daniel Bugas, Nasser Heydari, Ferenc Jeanplong, Archimedes Apronti, Abdallah Galal, Ng Ze-An, Ankit Singh, Joan of Arc Xavier, Kanu Priya Agarwal, Mohammed Berkani, Benedito Alves de Oliveira Junior, Dmitry Malishev, Nicolas Remy, Taylor D. Hartman, Tim Tarver, Stephen Mensah, Javier Gimenez, Roselynn Grace Montecillo, Russell Campbell, Asankhaya Sharma, Khalida Meer, Xavier Alapont, Deepakkumar Patil, Rajat Maheshwari, Abdelkader Dendane, Priti Shukla, Sergei Bogdanov, S\"oren M\"oller, Muhammad Rehan Siddiqi, Prajvi Saxena, Himanshu Gupta, Innocent Enyekwe, Ragavendran P V, Zienab EL-Wasif, Aleksandr Maksapetyan, Vivien Rossbach, Chris Harjadi, Mohsen Bahaloohoreh, Song Bian, John Lai, Justine Leon Uro, Greg Bateman, Mohamed Sayed, Ahmed Menshawy, Darling Duclosel, Yashaswini Jain, Ashley Aaron, Murat Tiryakioglu, Sheeshram Siddh, Keith Krenek, Alex Hoover, Joseph McGowan, Tejal Patwardhan, Summer Yue, Alexandr Wang, Dan Hendrycks
Abstract: Benchmarks are important tools for tracking the rapid advancements in large language model (LLM) capabilities. However, benchmarks are not keeping pace in difficulty: LLMs now achieve over 90\% accuracy on popular benchmarks like MMLU, limiting informed measurement of state-of-the-art LLM capabilities. In response, we introduce Humanity's Last Exam (HLE), a multi-modal benchmark at the frontier of human knowledge, designed to be the final closed-ended academic benchmark of its kind with broad subject coverage. HLE consists of 3,000 questions across dozens of subjects, including mathematics, humanities, and the natural sciences. HLE is developed globally by subject-matter experts and consists of multiple-choice and short-answer questions suitable for automated grading. Each question has a known solution that is unambiguous and easily verifiable, but cannot be quickly answered via internet retrieval. State-of-the-art LLMs demonstrate low accuracy and calibration on HLE, highlighting a significant gap between current LLM capabilities and the expert human frontier on closed-ended academic questions. To inform research and policymaking upon a clear understanding of model capabilities, we publicly release HLE at https://lastexam.ai.
URLs: https://lastexam.ai.
Authors: Rahul Atul Bhope, Praveen Venkateswaran, K. R. Jayaram, Vatche Isahagian, Vinod Muthusamy, Nalini Venkatasubramanian
Abstract: Developers using LLMs and LLM-based agents in their applications have provided plenty of anecdotal evidence that in-context-learning (ICL) is fragile. In this paper, we show that in addition to the quantity and quality of examples, the order in which the in-context examples are listed in the prompt affects the output of the LLM and, consequently, their performance. While prior work has explored improving ICL through dataset-dependent techniques, we introduce OptiSeq, a purely inference-time, dataset-free optimization method that efficiently determines the best example order. OptiSeq leverages log probabilities of LLM-generated outputs to systematically prune the search space of possible orderings and recommend the best order(s) by distinguishing orderings that yield high levels of accuracy and those that underperform. Extensive empirical evaluation on multiple LLMs, datasets, and prompts demonstrate that OptiSeq improves accuracy by 5.5 - 10.5 percentage points across multiple tasks.
Authors: Prakhar Kaushik, Ankit Vaidya, Shravan Chaudhari, Alan Yuille
Abstract: The rapid growth of large models has raised concerns about their environmental impact and equity in accessibility due to significant computational costs. Low-Rank Adapters (LoRA) offer a lightweight solution for finetuning large models, resulting in an abundance of publicly available adapters tailored to diverse domains. We ask: Can these pretrained adapters be leveraged to further streamline adaptation to new tasks while addressing these challenges? We introduce EigenLoRAx, a parameter-efficient finetuning method that recycles existing adapters to create a principal subspace aligned with their shared domain knowledge which can be further augmented with orthogonal basis vectors in low-resource scenarios. This enables rapid adaptation to new tasks by learning only lightweight coefficients on the principal components of the subspace - eliminating the need to finetune entire adapters. EigenLoRAx requires significantly fewer parameters and memory, improving efficiency for both training and inference. Our method demonstrates strong performance across diverse domains and tasks, offering a scalable for edge-based applications, personalization, and equitable deployment of large models in resource-constrained environments.
Authors: Jan Ludziejewski, Maciej Pi\'oro, Jakub Krajewski, Maciej Stefaniak, Micha{\l} Krutul, Jan Ma{\l}a\'snicki, Marek Cygan, Piotr Sankowski, Kamil Adamczewski, Piotr Mi{\l}o\'s, Sebastian Jaszczur
Abstract: Mixture of Experts (MoE) architectures have significantly increased computational efficiency in both research and real-world applications of large-scale machine learning models. However, their scalability and efficiency under memory constraints remain relatively underexplored. In this work, we present joint scaling laws for dense and MoE models, incorporating key factors such as the number of active parameters, dataset size, and the number of experts. Our findings provide a principled framework for selecting the optimal MoE configuration under fixed memory and compute budgets. Surprisingly, we show that MoE models can be more memory-efficient than dense models, contradicting conventional wisdom. To derive and validate the theoretical predictions of our scaling laws, we conduct over 280 experiments with up to 2.7B active parameters and up to 5B total parameters. These results offer actionable insights for designing and deploying MoE models in practical large-scale training scenarios.
Authors: OpenAI, :, Ahmed El-Kishky, Alexander Wei, Andre Saraiva, Borys Minaiev, Daniel Selsam, David Dohan, Francis Song, Hunter Lightman, Ignasi Clavera, Jakub Pachocki, Jerry Tworek, Lorenz Kuhn, Lukasz Kaiser, Mark Chen, Max Schwarzer, Mostafa Rohaninejad, Nat McAleese, o3 contributors, Oleg M\"urk, Rhythm Garg, Rui Shu, Szymon Sidor, Vineet Kosaraju, Wenda Zhou
Abstract: We show that reinforcement learning applied to large language models (LLMs) significantly boosts performance on complex coding and reasoning tasks. Additionally, we compare two general-purpose reasoning models - OpenAI o1 and an early checkpoint of o3 - with a domain-specific system, o1-ioi, which uses hand-engineered inference strategies designed for competing in the 2024 International Olympiad in Informatics (IOI). We competed live at IOI 2024 with o1-ioi and, using hand-crafted test-time strategies, placed in the 49th percentile. Under relaxed competition constraints, o1-ioi achieved a gold medal. However, when evaluating later models such as o3, we find that o3 achieves gold without hand-crafted domain-specific strategies or relaxed constraints. Our findings show that although specialized pipelines such as o1-ioi yield solid improvements, the scaled-up, general-purpose o3 model surpasses those results without relying on hand-crafted inference heuristics. Notably, o3 achieves a gold medal at the 2024 IOI and obtains a Codeforces rating on par with elite human competitors. Overall, these results indicate that scaling general-purpose reinforcement learning, rather than relying on domain-specific techniques, offers a robust path toward state-of-the-art AI in reasoning domains, such as competitive programming.
Authors: Arghadip Das, Arnab Raha, Shamik Kundu, Soumendu Kumar Ghosh, Deepak Mathaikutty, Vijay Raghunathan
Abstract: State-Space Models (SSMs) have emerged as efficient alternatives to transformers for sequential data tasks, offering linear or near-linear scalability with sequence length, making them ideal for long-sequence applications in NLP, vision, and edge AI, including real-time transcription, translation, and contextual search. These applications require lightweight, high-performance models for deployment on resource-constrained devices like laptops and PCs. Designing specialized accelerators for every emerging neural network is costly and impractical; instead, optimizing models for existing NPUs in AI PCs provides a scalable solution. To this end, we propose XAMBA, the first framework to enable and optimize SSMs on commercial off-the-shelf (COTS) state-of-the-art (SOTA) NPUs. XAMBA follows a three-step methodology: (1) enabling SSMs on NPUs, (2) optimizing performance to meet KPI requirements, and (3) trading accuracy for additional performance gains. After enabling SSMs on NPUs, XAMBA mitigates key bottlenecks using CumBA and ReduBA, replacing sequential CumSum and ReduceSum operations with matrix-based computations, significantly improving execution speed and memory efficiency. Additionally, ActiBA enhances performance by approximating expensive activation functions (e.g., Swish, Softplus) using piecewise linear mappings, reducing latency with minimal accuracy loss. Evaluations on an Intel Core Ultra Series 2 AI PC show that XAMBA achieves up to 2.6X speed-up over the baseline. Our implementation is available at https://github.com/arghadippurdue/XAMBA.
Authors: Yibin Sun, Heitor Murilo Gomes, Bernhard Pfahringer, Albert Bifet
Abstract: The paper explores the challenges of regression analysis in evolving data streams, an area that remains relatively underexplored compared to classification. We propose a standardized evaluation process for regression and prediction interval tasks in streaming contexts. Additionally, we introduce an innovative drift simulation strategy capable of synthesizing various drift types, including the less-studied incremental drift. Comprehensive experiments with state-of-the-art methods, conducted under the proposed process, validate the effectiveness and robustness of our approach.
Authors: Mengchen Fan, Keren Li, Tianyun Zhang, Qing Tian, Baocheng Geng
Abstract: Distributed Learning (DL) enables the training of machine learning models across multiple devices, yet it faces challenges like non-IID data distributions and device capability disparities, which can impede training efficiency. Communication bottlenecks further complicate traditional Federated Learning (FL) setups. To mitigate these issues, we introduce the Personalized Federated Learning with Decentralized Selection Training (PFedDST) framework. PFedDST enhances model training by allowing devices to strategically evaluate and select peers based on a comprehensive communication score. This score integrates loss, task similarity, and selection frequency, ensuring optimal peer connections. This selection strategy is tailored to increase local personalization and promote beneficial peer collaborations to strengthen the stability and efficiency of the training process. Our experiments demonstrate that PFedDST not only enhances model accuracy but also accelerates convergence. This approach outperforms state-of-the-art methods in handling data heterogeneity, delivering both faster and more effective training in diverse and decentralized systems.
Authors: Abdellah Zakaria Sellam, Ilyes Benaissa, Abdelmalik Taleb-Ahmed, Luigi Patrono, Cosimo Distante
Abstract: Anomaly detection in time series is essential for industrial monitoring and environmental sensing, yet distinguishing anomalies from complex patterns remains challenging. Existing methods like the Anomaly Transformer and DCdetector have progressed, but they face limitations such as sensitivity to short-term contexts and inefficiency in noisy, non-stationary environments. To overcome these issues, we introduce MAAT, an improved architecture that enhances association discrepancy modeling and reconstruction quality. MAAT features Sparse Attention, efficiently capturing long-range dependencies by focusing on relevant time steps, thereby reducing computational redundancy. Additionally, a Mamba-Selective State Space Model is incorporated into the reconstruction module, utilizing a skip connection and Gated Attention to improve anomaly localization and detection performance. Extensive experiments show that MAAT significantly outperforms previous methods, achieving better anomaly distinguishability and generalization across various time series applications, setting a new standard for unsupervised time series anomaly detection in real-world scenarios.
Authors: Ziyan Wang, Sizhe Wei, Xiaoming Huo, Hao Wang
Abstract: Diffusion models have made significant advancements in recent years. However, their performance often deteriorates when trained or fine-tuned on imbalanced datasets. This degradation is largely due to the disproportionate representation of majority and minority data in image-text pairs. In this paper, we propose a general fine-tuning approach, dubbed PoGDiff, to address this challenge. Rather than directly minimizing the KL divergence between the predicted and ground-truth distributions, PoGDiff replaces the ground-truth distribution with a Product of Gaussians (PoG), which is constructed by combining the original ground-truth targets with the predicted distribution conditioned on a neighboring text embedding. Experiments on real-world datasets demonstrate that our method effectively addresses the imbalance problem in diffusion models, improving both generation accuracy and quality.
Authors: Mantas Mazeika, Xuwang Yin, Rishub Tamirisa, Jaehyuk Lim, Bruce W. Lee, Richard Ren, Long Phan, Norman Mu, Adam Khoja, Oliver Zhang, Dan Hendrycks
Abstract: As AIs rapidly advance and become more agentic, the risk they pose is governed not only by their capabilities but increasingly by their propensities, including goals and values. Tracking the emergence of goals and values has proven a longstanding problem, and despite much interest over the years it remains unclear whether current AIs have meaningful values. We propose a solution to this problem, leveraging the framework of utility functions to study the internal coherence of AI preferences. Surprisingly, we find that independently-sampled preferences in current LLMs exhibit high degrees of structural coherence, and moreover that this emerges with scale. These findings suggest that value systems emerge in LLMs in a meaningful sense, a finding with broad implications. To study these emergent value systems, we propose utility engineering as a research agenda, comprising both the analysis and control of AI utilities. We uncover problematic and often shocking values in LLM assistants despite existing control measures. These include cases where AIs value themselves over humans and are anti-aligned with specific individuals. To constrain these emergent value systems, we propose methods of utility control. As a case study, we show how aligning utilities with a citizen assembly reduces political biases and generalizes to new scenarios. Whether we like it or not, value systems have already emerged in AIs, and much work remains to fully understand and control these emergent representations.
Authors: Jin Hyun Park, Seyyed Ali Ayati, Yichen Cai
Abstract: The increasing prevalence of microphones in everyday devices and the growing reliance on online services have amplified the risk of acoustic side-channel attacks (ASCAs) targeting keyboards. This study explores deep learning techniques, specifically vision transformers (VTs) and large language models (LLMs), to enhance the effectiveness and applicability of such attacks. We present substantial improvements over prior research, with the CoAtNet model achieving state-of-the-art performance. Our CoAtNet shows a 5.0% improvement for keystrokes recorded via smartphone (Phone) and 5.9% for those recorded via Zoom compared to previous benchmarks. We also evaluate transformer architectures and language models, with the best VT model matching CoAtNet's performance. A key advancement is the introduction of a noise mitigation method for real-world scenarios. By using LLMs for contextual understanding, we detect and correct erroneous keystrokes in noisy environments, enhancing ASCA performance. Additionally, fine-tuned lightweight language models with Low-Rank Adaptation (LoRA) deliver comparable performance to heavyweight models with 67X more parameters. This integration of VTs and LLMs improves the practical applicability of ASCA mitigation, marking the first use of these technologies to address ASCAs and error correction in real-world scenarios.
Authors: Xu Shen, Yixin Liu, Yili Wang, Rui Miao, Yiwei Dai, Shirui Pan, Xin Wang
Abstract: Out-of-distribution (OOD) generalization has emerged as a critical challenge in graph learning, as real-world graph data often exhibit diverse and shifting environments that traditional models fail to generalize across. A promising solution to address this issue is graph invariant learning (GIL), which aims to learn invariant representations by disentangling label-correlated invariant subgraphs from environment-specific subgraphs. However, existing GIL methods face two major challenges: (1) the difficulty of capturing and modeling diverse environments in graph data, and (2) the semantic cliff, where invariant subgraphs from different classes are difficult to distinguish, leading to poor class separability and increased misclassifications. To tackle these challenges, we propose a novel method termed Multi-Prototype Hyperspherical Invariant Learning (MPHIL), which introduces two key innovations: (1) hyperspherical invariant representation extraction, enabling robust and highly discriminative hyperspherical invariant feature extraction, and (2) multi-prototype hyperspherical classification, which employs class prototypes as intermediate variables to eliminate the need for explicit environment modeling in GIL and mitigate the semantic cliff issue. Derived from the theoretical framework of GIL, we introduce two novel objective functions: the invariant prototype matching loss to ensure samples are matched to the correct class prototypes, and the prototype separation loss to increase the distinction between prototypes of different classes in the hyperspherical space. Extensive experiments on 11 OOD generalization benchmark datasets demonstrate that MPHIL achieves state-of-the-art performance, significantly outperforming existing methods across graph data from various domains and with different distribution shifts.
Authors: Zhi Sheng, Yuan Yuan, Yudi Zhang, Depeng Jin, Yong Li
Abstract: Accurate prediction of urban spatiotemporal dynamics is essential for enhancing urban management and decision-making. Existing spatiotemporal prediction models are predominantly deterministic, focusing on primary spatiotemporal patterns. However, those dynamics are highly complex, exhibiting multi-modal distributions that are challenging for deterministic models to capture. In this paper, we highlight the critical role of probabilistic prediction in capturing the uncertainties and complexities inherent in spatiotemporal data. While mainstream probabilistic models can capture uncertainty, they struggle with accurately learning primary patterns and often suffer from computational inefficiency. To address these challenges, we propose CoST, which collaborates deterministic and probabilistic models to improve both predictive accuracy and the ability to handle uncertainty. To achieve this, we design a mean-residual decomposition framework, where the mean value is modeled by a deterministic model, and the residual variations are learned by a probabilistic model, specifically diffusion models. Moreover, we introduce a scale-aware diffusion process, which better accounts for spatially heterogeneous dynamics across different regions. Extensive experiments on eight real-world datasets demonstrate that CoST significantly outperforms existing methods in both deterministic and probabilistic metrics, achieving a 20% improvement with low computational cost. CoST bridges the gap between deterministic precision and probabilistic uncertainty, making a significant advancement in the field of urban spatiotemporal prediction.
Authors: Yuhao Du, Zhuo Li, Pengyu Cheng, Zhihong Chen, Yuejiao Xie, Xiang Wan, Anningzhe Gao
Abstract: Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning Large Language Models (LLMs) with human values. However, RLHF has been continuously challenged by its high complexity in implementation and computation consumption. Even with recent simplifications, such as Direct Preference Optimization (DPO) and Advantage Leftover Lunch (A-LoL), the problems of over-fitting and training instability remain hindering the alignment process from the expected optimal performance. To address the existing challenges, we propose a novel simplification of RLHF from the perspective of variational inference, called $\textbf{V}$ariational $\textbf{A}$lignment with $\textbf{R}$e-weighting ($\textbf{VAR}$). More specifically, by directly minimizing the distribution gap between the learning LLM policy and the optimal solution of RLHF, we transform the alignment objective into a reward-driven re-weighted supervised fine-tuning (SFT) form, which only requires minor adjustment on the SFT loss to obtain noticeable improvement on training stability and effectiveness. On comprehensive alignment and generation benchmarks, our VAR method has numerically achieved competitive performance in LLM alignment helpfulness and harmlessness.
Authors: Zongzhao Li, Jiacheng Cen, Bing Su, Wenbing Huang, Tingyang Xu, Yu Rong, Deli Zhao
Abstract: Accurately predicting 3D structures and dynamics of physical systems is crucial in scientific applications. Existing approaches that rely on geometric Graph Neural Networks (GNNs) effectively enforce $\mathrm{E}(3)$-equivariance, but they often fall in leveraging extensive broader information. While direct application of Large Language Models (LLMs) can incorporate external knowledge, they lack the capability for spatial reasoning with guaranteed equivariance. In this paper, we propose EquiLLM, a novel framework for representing 3D physical systems that seamlessly integrates E(3)-equivariance with LLM capabilities. Specifically, EquiLLM comprises four key components: geometry-aware prompting, an equivariant encoder, an LLM, and an equivariant adaptor. Essentially, the LLM guided by the instructive prompt serves as a sophisticated invariant feature processor, while 3D directional information is exclusively handled by the equivariant encoder and adaptor modules. Experimental results demonstrate that EquiLLM delivers significant improvements over previous methods across molecular dynamics simulation, human motion simulation, and antibody design, highlighting its promising generalizability.
Authors: Zihao Wang, Victor Veitch
Abstract: A basic aspiration for interpretability research in large language models is to "localize" semantically meaningful behaviors to particular components within the LLM. There are various heuristics for finding candidate locations within the LLM. Once a candidate localization is found, it can be assessed by editing the internal representations at the corresponding localization and checking whether this induces model behavior that is consistent with the semantic interpretation of the localization. The question we address here is: how strong is the evidence provided by such edits? To evaluate the localization claim, we want to assess the effect of the optimal intervention at a particular location. The key new technical tool is a way of adapting LLM alignment techniques to find such optimal localized edits. With this tool in hand, we give an example where the edit-based evidence for localization appears strong, but where localization clearly fails. Indeed, we find that optimal edits at random localizations can be as effective as aligning the full model. In aggregate, our results suggest that merely observing that localized edits induce targeted changes in behavior provides little to no evidence that these locations actually encode the target behavior.
Authors: Samuel Miserendino, Michele Wang, Tejal Patwardhan, Johannes Heidecke
Abstract: We introduce SWE-Lancer, a benchmark of over 1,400 freelance software engineering tasks from Upwork, valued at \$1 million USD total in real-world payouts. SWE-Lancer encompasses both independent engineering tasks--ranging from \$50 bug fixes to \$32,000 feature implementations--and managerial tasks, where models choose between technical implementation proposals. Independent tasks are graded with end-to-end tests triple-verified by experienced software engineers, while managerial decisions are assessed against the choices of the original hired engineering managers. We evaluate model performance and find that frontier models are still unable to solve the majority of tasks. To facilitate future research, we open-source a unified Docker image and a public evaluation split, SWE-Lancer Diamond (https://github.com/openai/SWELancer-Benchmark). By mapping model performance to monetary value, we hope SWE-Lancer enables greater research into the economic impact of AI model development.
Authors: Zhuoqi Zheng, Bo Zhang, Kieran Didi, Kevin K. Yang, Jason Yim, Joseph L. Watson, Hai-Feng Chen, Brian L. Trippe
Abstract: The motif-scaffolding problem is a central task in computational protein design: Given the coordinates of atoms in a geometry chosen to confer a desired biochemical function (a motif), the task is to identify diverse protein structures (scaffolds) that include the motif and maintain its geometry. Significant recent progress on motif-scaffolding has been made due to computational evaluation with reliable protein structure prediction and fixed-backbone sequence design methods. However, significant variability in evaluation strategies across publications has hindered comparability of results, challenged reproducibility, and impeded robust progress. In response we introduce MotifBench, comprising (1) a precisely specified pipeline and evaluation metrics, (2) a collection of 30 benchmark problems, and (3) an implementation of this benchmark and leaderboard at github.com/blt2114/MotifBench. The MotifBench test cases are more difficult compared to earlier benchmarks, and include protein design problems for which solutions are known but on which, to the best of our knowledge, state-of-the-art methods fail to identify any solution.
Authors: Sina Montazeri, Haseebullah Jumakhanb, Amir Mirzaeinia
Abstract: This paper investigates the optimization of temporal windows in Financial Deep Reinforcement Learning (DRL) models using 2D Convolutional Neural Networks (CNNs). We introduce a novel approach to treating the temporal field as a hyperparameter and examine its impact on model performance across various datasets and feature arrangements. We introduce a new hyperparameter for the CNN policy, proposing that this temporal field can and should be treated as a hyperparameter for these models. We examine the significance of this temporal field by iteratively expanding the window of observations presented to the CNN policy during the deep reinforcement learning process. Our iterative process involves progressively increasing the observation period from two weeks to twelve weeks, allowing us to examine the effects of different temporal windows on the model's performance. This window expansion is implemented in two settings. In one setting, we rearrange the features in the dataset to group them by company, allowing the model to have a full view of company data in its observation window and CNN kernel. In the second setting, we do not group the features by company, and features are arranged by category. Our study reveals that shorter temporal windows are most effective when no feature rearrangement to group per company is in effect. However, the model will utilize longer temporal windows and yield better performance once we introduce the feature rearrangement. To examine the consistency of our findings, we repeated our experiment on two datasets containing the same thirty companies from the Dow Jones Index but with different features in each dataset and consistently observed the above-mentioned patterns. The result is a trading model significantly outperforming global financial services firms such as the Global X Guru by the established Mirae Asset.
Authors: Shen Han, Zhiyao Zhou, Jiawei Chen, Zhezheng Hao, Sheng Zhou, Gang Wang, Yan Feng, Chun Chen, Can Wang
Abstract: Graph Neural Networks (GNNs) have become a prominent approach for learning from graph-structured data. However, their effectiveness can be significantly compromised when the graph structure is suboptimal. To address this issue, Graph Structure Learning (GSL) has emerged as a promising technique that refines node connections adaptively. Nevertheless, we identify two key limitations in existing GSL methods: 1) Most methods primarily focus on node similarity to construct relationships, while overlooking the quality of node information. Blindly connecting low-quality nodes and aggregating their ambiguous information can degrade the performance of other nodes. 2) The constructed graph structures are often constrained to be symmetric, which may limit the model's flexibility and effectiveness. To overcome these limitations, we propose an Uncertainty-aware Graph Structure Learning (UnGSL) strategy. UnGSL estimates the uncertainty of node information and utilizes it to adjust the strength of directional connections, where the influence of nodes with high uncertainty is adaptively reduced. Importantly, UnGSL serves as a plug-in module that can be seamlessly integrated into existing GSL methods with minimal additional computational cost. In our experiments, we implement UnGSL into six representative GSL methods, demonstrating consistent performance improvements.
Authors: Jaike van Twiller, Yossiri Adulyasak, Erick Delage, Djordje Grbic, Rune M{\o}ller Jensen
Abstract: Reinforcement learning (RL) has shown promise in solving various combinatorial optimization problems. However, conventional RL faces challenges when dealing with real-world constraints, especially when action space feasibility is explicit and dependent on the corresponding state or trajectory. In this work, we focus on using RL in container shipping, often considered the cornerstone of global trade, by dealing with the critical challenge of master stowage planning. The main objective is to maximize cargo revenue and minimize operational costs while navigating demand uncertainty and various complex operational constraints, namely vessel capacity and stability, which must be dynamically updated along the vessel's voyage. To address this problem, we implement a deep reinforcement learning framework with feasibility projection to solve the master stowage planning problem (MPP) under demand uncertainty. The experimental results show that our architecture efficiently finds adaptive, feasible solutions for this multi-stage stochastic optimization problem, outperforming traditional mixed-integer programming and RL with feasibility regularization. Our AI-driven decision-support policy enables adaptive and feasible planning under uncertainty, optimizing operational efficiency and capacity utilization while contributing to sustainable and resilient global supply chains.
Authors: Kaining Zhang, Liu Liu, Min-Hsiu Hsieh, Dacheng Tao
Abstract: Variational quantum circuits have been widely employed in quantum simulation and quantum machine learning in recent years. However, quantum circuits with random structures have poor trainability due to the exponentially vanishing gradient with respect to the circuit depth and the qubit number. This result leads to a general standpoint that deep quantum circuits would not be feasible for practical tasks. In this work, we propose an initialization strategy with theoretical guarantees for the vanishing gradient problem in general deep quantum circuits. Specifically, we prove that under proper Gaussian initialized parameters, the norm of the gradient decays at most polynomially when the qubit number and the circuit depth increase. Our theoretical results hold for both the local and the global observable cases, where the latter was believed to have vanishing gradients even for very shallow circuits. Experimental results verify our theoretical findings in the quantum simulation and quantum chemistry.
Authors: Emanuele Ballarin, Alessio Ansuini, Luca Bortolussi
Abstract: In this work, we propose a novel adversarial defence mechanism for image classification - CARSO - blending the paradigms of adversarial training and adversarial purification in a synergistic robustness-enhancing way. The method builds upon an adversarially-trained classifier, and learns to map its internal representation associated with a potentially perturbed input onto a distribution of tentative clean reconstructions. Multiple samples from such distribution are classified by the same adversarially-trained model, and a carefully chosen aggregation of its outputs finally constitutes the robust prediction of interest. Experimental evaluation by a well-established benchmark of strong adaptive attacks, across different image datasets, shows that CARSO is able to defend itself against adaptive end-to-end white-box attacks devised for stochastic defences. Paying a modest clean accuracy toll, our method improves by a significant margin the state-of-the-art for Cifar-10, Cifar-100, and TinyImageNet-200 $\ell_\infty$ robust classification accuracy against AutoAttack. Code, and instructions to obtain pre-trained models are available at: https://github.com/emaballarin/CARSO .
Authors: Zhengrong Xue, Han Zhang, Jingwen Cheng, Zhengmao He, Yuanchen Ju, Changyi Lin, Gu Zhang, Huazhe Xu
Abstract: We present ArrayBot, a distributed manipulation system consisting of a $16 \times 16$ array of vertically sliding pillars integrated with tactile sensors, which can simultaneously support, perceive, and manipulate the tabletop objects. Towards generalizable distributed manipulation, we leverage reinforcement learning (RL) algorithms for the automatic discovery of control policies. In the face of the massively redundant actions, we propose to reshape the action space by considering the spatially local action patch and the low-frequency actions in the frequency domain. With this reshaped action space, we train RL agents that can relocate diverse objects through tactile observations only. Surprisingly, we find that the discovered policy can not only generalize to unseen object shapes in the simulator but also transfer to the physical robot without any domain randomization. Leveraging the deployed policy, we present abundant real-world manipulation tasks, illustrating the vast potential of RL on ArrayBot for distributed manipulation.
Authors: Alessandro Zito, Dylan Greaves, Jacopo Soriano, Lee Richardson
Abstract: North star metrics and online experimentation play a central role in how technology companies improve their products. In many practical settings, however, evaluating experiments based on the north star metric directly can be difficult. The two most significant issues are 1) low sensitivity of the north star metric and 2) differences between the short-term and long-term impact on the north star metric. A common solution is to rely on proxy metrics rather than the north star in experiment evaluation and launch decisions. Existing literature on proxy metrics concentrates mainly on the estimation of the long-term impact from short-term experimental data. In this paper, instead, we focus on the trade-off between the estimation of the long-term impact and the sensitivity in the short term. In particular, we propose the Pareto optimal proxy metrics method, which simultaneously optimizes prediction accuracy and sensitivity. In addition, we give an efficient multi-objective optimization algorithm that outperforms standard methods. We applied our methodology to experiments from a large industrial recommendation system, and found proxy metrics that are eight times more sensitive than the north star and consistently moved in the same direction, increasing the velocity and the quality of the decisions to launch new features.
Authors: Jae Yong Lee, Seungchan Ko, Youngjoon Hong
Abstract: Partial differential equations (PDEs) underlie our understanding and prediction of natural phenomena across numerous fields, including physics, engineering, and finance. However, solving parametric PDEs is a complex task that necessitates efficient numerical methods. In this paper, we propose a novel approach for solving parametric PDEs using a Finite Element Operator Network (FEONet). Our proposed method leverages the power of deep learning in conjunction with traditional numerical methods, specifically the finite element method, to solve parametric PDEs in the absence of any paired input-output training data. We performed various experiments on several benchmark problems and confirmed that our approach has demonstrated excellent performance across various settings and environments, proving its versatility in terms of accuracy, generalization, and computational flexibility. While our method is not meshless, the FEONet framework shows potential for application in various fields where PDEs play a crucial role in modeling complex domains with diverse boundary conditions and singular behavior. Furthermore, we provide theoretical convergence analysis to support our approach, utilizing finite element approximation in numerical analysis.
Authors: Guoyao Shen, Yancheng Zhu, Mengyu Li, Ryan McNaughton, Hernan Jara, Sean B. Andersson, Chad W. Farris, Stephan Anderson, Xin Zhang
Abstract: Recent advances in MRI reconstruction have demonstrated remarkable success through deep learning-based models. However, most existing methods rely heavily on large-scale, task-specific datasets, making reconstruction in data-limited settings a critical yet underexplored challenge. While regularization by denoising (RED) leverages denoisers as priors for reconstruction, we propose Regularization by Neural Style Transfer (RNST), a novel framework that integrates a neural style transfer (NST) engine with a denoiser to enable magnetic field-transfer reconstruction. RNST generates high-field-quality images from low-field inputs without requiring paired training data, leveraging style priors to address limited-data settings. Our experiment results demonstrate RNST's ability to reconstruct high-quality images across diverse anatomical planes (axial, coronal, sagittal) and noise levels, achieving superior clarity, contrast, and structural fidelity compared to lower-field references. Crucially, RNST maintains robustness even when style and content images lack exact alignment, broadening its applicability in clinical environments where precise reference matches are unavailable. By combining the strengths of NST and denoising, RNST offers a scalable, data-efficient solution for MRI field-transfer reconstruction, demonstrating significant potential for resource-limited settings.
Authors: David B. D'Ambrosio, Jonathan Abelian, Saminda Abeyruwan, Michael Ahn, Alex Bewley, Justin Boyd, Krzysztof Choromanski, Omar Cortes, Erwin Coumans, Tianli Ding, Wenbo Gao, Laura Graesser, Atil Iscen, Navdeep Jaitly, Deepali Jain, Juhana Kangaspunta, Satoshi Kataoka, Gus Kouretas, Yuheng Kuang, Nevena Lazic, Corey Lynch, Reza Mahjourian, Sherry Q. Moore, Thinh Nguyen, Ken Oslund, Barney J Reed, Krista Reymann, Pannag R. Sanketi, Anish Shankar, Pierre Sermanet, Vikas Sindhwani, Avi Singh, Vincent Vanhoucke, Grace Vesom, Peng Xu
Abstract: We present a deep-dive into a real-world robotic learning system that, in previous work, was shown to be capable of hundreds of table tennis rallies with a human and has the ability to precisely return the ball to desired targets. This system puts together a highly optimized perception subsystem, a high-speed low-latency robot controller, a simulation paradigm that can prevent damage in the real world and also train policies for zero-shot transfer, and automated real world environment resets that enable autonomous training and evaluation on physical robots. We complement a complete system description, including numerous design decisions that are typically not widely disseminated, with a collection of studies that clarify the importance of mitigating various sources of latency, accounting for training and deployment distribution shifts, robustness of the perception system, sensitivity to policy hyper-parameters, and choice of action space. A video demonstrating the components of the system and details of experimental results can be found at https://youtu.be/uFcnWjB42I0.
Authors: Enrico M. Malatesta
Abstract: In these pedagogic notes I review the statistical mechanics approach to neural networks, focusing on the paradigmatic example of the perceptron architecture with binary an continuous weights, in the classification setting. I will review the Gardner's approach based on replica method and the derivation of the SAT/UNSAT transition in the storage setting. Then, I discuss some recent works that unveiled how the zero training error configurations are geometrically arranged, and how this arrangement changes as the size of the training set increases. I also illustrate how different regions of solution space can be explored analytically and how the landscape in the vicinity of a solution can be characterized. I give evidence how, in binary weight models, algorithmic hardness is a consequence of the disappearance of a clustered region of solutions that extends to very large distances. Finally, I demonstrate how the study of linear mode connectivity between solutions can give insights into the average shape of the solution manifold.
Authors: Nemat Gholinejad, Mostafa Haghir Chehreghani
Abstract: In recent years, graph neural networks (GNNs) have become a popular tool to improve the accuracy and performance of recommender systems. Modern recommender systems are not only designed to serve end users, but also to benefit other participants, such as items and item providers. These participants may have different or conflicting goals and interests, which raises the need for fairness and popularity bias considerations. GNN-based recommendation methods also face the challenges of unfairness and popularity bias, and their normalization and aggregation processes suffer from these challenges. In this paper, we propose a fair GNN-based recommender system, called HetroFair, to improve item-side fairness. HetroFair uses two separate components to generate fairness-aware embeddings: i) Fairness-aware attention, which incorporates the dot product in the normalization process of GNNs to decrease the effect of nodes' degrees. ii) Heterophily feature weighting, to assign distinct weights to different features during the aggregation process. To evaluate the effectiveness of HetroFair, we conduct extensive experiments over six real-world datasets. Our experimental results reveal that HetroFair not only alleviates unfairness and popularity bias on the item side but also achieves superior accuracy on the user side. Our implementation is publicly available at https://github.com/NematGH/HetroFair.
Authors: David Hartmann, Jos\'e Renato Laranjeira de Pereira, Chiara Streitb\"orger, Bettina Berendt
Abstract: The European legislature has proposed the Digital Services Act (DSA) and Artificial Intelligence Act (AIA) to regulate platforms and Artificial Intelligence (AI) products. We review to what extent third-party audits are part of both laws and how is access to information on models and the data provided. By considering the value of third-party audits and third-party data access in an audit ecosystem, we identify a regulatory gap in that the AIA does not provide access to data for researchers and civil society. Our contributions to the literature include: (1) Defining an AI audit ecosystem incorporating compliance and oversight. (2) Highlighting a regulatory gap within the DSA and AIA regulatory framework, preventing the establishment of an AI audit ecosystem that has effective oversight by civil society and academia. (3) Emphasizing that third-party audits by research and civil society must be part of that ecosystem, we call for AIA amendments and delegated acts to include data and model access for certain AI products. Furthermore, we call for the DSA to provide NGOs and investigative journalists with data access to platforms by delegated acts and for adaptions and amendments of the AIA to provide third-party audits and data and model access, at least for high-risk systems. Regulations modeled after EU AI regulations should enable data access and third-party audits, fostering an AI audit ecosystem that promotes compliance and oversight mechanisms.
Authors: Nicholas Bai, Rahul A. Iyer, Tuomas Oikarinen, Akshay Kulkarni, Tsui-Wei Weng
Abstract: In this paper, we propose Describe-and-Dissect (DnD), a novel method to describe the roles of hidden neurons in vision networks. DnD utilizes recent advancements in multimodal deep learning to produce complex natural language descriptions, without the need for labeled training data or a predefined set of concepts to choose from. Additionally, DnD is training-free, meaning we don't train any new models and can easily leverage more capable general purpose models in the future. We have conducted extensive qualitative and quantitative analysis to show that DnD outperforms prior work by providing higher quality neuron descriptions. Specifically, our method on average provides the highest quality labels and is more than 2$\times$ as likely to be selected as the best explanation for a neuron than the best baseline. Finally, we present a use case providing critical insights into land cover prediction models for sustainability applications. Our code and data are available at https://github.com/Trustworthy-ML-Lab/Describe-and-Dissect.
URLs: https://github.com/Trustworthy-ML-Lab/Describe-and-Dissect.
Authors: Yuepeng Hu, Zhengyuan Jiang, Moyang Guo, Neil Zhenqiang Gong
Abstract: Watermark has been widely deployed by industry to detect AI-generated images. The robustness of such watermark-based detector against evasion attacks in the white-box and black-box settings is well understood in the literature. However, the robustness in the no-box setting is much less understood. In this work, we propose a new transfer evasion attack to image watermark in the no-box setting. Our transfer attack adds a perturbation to a watermarked image to evade multiple surrogate watermarking models trained by the attacker itself, and the perturbed watermarked image also evades the target watermarking model. Our major contribution is to show that, both theoretically and empirically, watermark-based AI-generated image detector based on existing watermarking methods is not robust to evasion attacks even if the attacker does not have access to the watermarking model nor the detection API. Our code is available at: https://github.com/hifi-hyp/Watermark-Transfer-Attack.
URLs: https://github.com/hifi-hyp/Watermark-Transfer-Attack.
Authors: Joshua Harris, Timothy Laurence, Leo Loman, Fan Grayson, Toby Nonnenmacher, Harry Long, Loes WalsGriffith, Amy Douglas, Holly Fountain, Stelios Georgiou, Jo Hardstaff, Kathryn Hopkins, Y-Ling Chi, Galena Kuyumdzhieva, Lesley Larkin, Samuel Collins, Hamish Mohammed, Thomas Finnie, Luke Hounsome, Michael Borowitz, Steven Riley
Abstract: Advances in Large Language Models (LLMs) have led to significant interest in their potential to support human experts across a range of domains, including public health. In this work we present automated evaluations of LLMs for public health tasks involving the classification and extraction of free text. We combine six externally annotated datasets with seven new internally annotated datasets to evaluate LLMs for processing text related to: health burden, epidemiological risk factors, and public health interventions. We evaluate eleven open-weight LLMs (7-123 billion parameters) across all tasks using zero-shot in-context learning. We find that Llama-3.3-70B-Instruct is the highest performing model, achieving the best results on 8/16 tasks (using micro-F1 scores). We see significant variation across tasks with all open-weight LLMs scoring below 60% micro-F1 on some challenging tasks, such as Contact Classification, while all LLMs achieve greater than 80% micro-F1 on others, such as GI Illness Classification. For a subset of 11 tasks, we also evaluate three GPT-4 and GPT-4o series models and find comparable results to Llama-3.3-70B-Instruct. Overall, based on these initial results we find promising signs that LLMs may be useful tools for public health experts to extract information from a wide variety of free text sources, and support public health surveillance, research, and interventions.
Authors: Saad Mohammad Abrar, Naman Awasthi, Daniel Smolyak, Vanessa Frias-Martinez
Abstract: The US COVID-19 Forecast Hub, a repository of COVID-19 forecasts from over 50 independent research groups, is used by the Centers for Disease Control and Prevention (CDC) for their official COVID-19 communications. As such, the Forecast Hub is a critical centralized resource to promote transparent decision making. While the Forecast Hub has provided valuable predictions focused on accuracy, there is an opportunity to evaluate model performance across social determinants such as race and urbanization level that have been known to play a role in the COVID-19 pandemic. In this paper, we carry out a comprehensive fairness analysis of the Forecast Hub model predictions and we show statistically significant diverse predictive performance across social determinants, with minority racial and ethnic groups as well as less urbanized areas often associated with higher prediction errors. We hope this work will encourage COVID-19 modelers and the CDC to report fairness metrics together with accuracy, and to reflect on the potential harms of the models on specific social groups and contexts.
Authors: Hai-Vy Nguyen, Fabrice Gamboa, Sixin Zhang, Reda Chhaibi, Serge Gratton, Thierry Giaccone
Abstract: In this paper, we introduce a novel discriminative loss function with large margin in the context of Deep Learning. This loss boosts the discriminative power of neural networks, represented by intra-class compactness and inter-class separability. On the one hand, the class compactness is ensured by close distance of samples of the same class to each other. On the other hand, the inter-class separability is boosted by a margin loss that ensures the minimum distance of each class to its closest boundary. All the terms in our loss have an explicit meaning, giving a direct view of the obtained feature space. We analyze mathematically the relation between compactness and margin term, giving a guideline about the impact of the hyper-parameters on the learned features. Moreover, we also analyze properties of the gradient of the loss with respect to the parameters of the neural network. Based on this, we design a strategy called partial momentum updating that enjoys simultaneously stability and consistency in training. Furthermore, we provide theoretical insights explaining why our method can avoid trivial solutions that do not improve the generalization capability of the model. Besides, we also investigate generalization errors to have better theoretical insights. The experiments show promising results of our method.
Authors: Ruizhong Qiu, Weiliang Will Zeng, James Ezick, Christopher Lott, Hanghang Tong
Abstract: The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .
Authors: Joe Dhanith P R, Shravan Venkatraman, Vigya Sharma, Santhosh Malarvannan, Modigari Narendra
Abstract: Understanding emotions is a fundamental aspect of human communication. Integrating audio and video signals offers a more comprehensive understanding of emotional states compared to traditional methods that rely on a single data source, such as speech or facial expressions. Despite its potential, multimodal emotion recognition faces significant challenges, particularly in synchronization, feature extraction, and fusion of diverse data sources. To address these issues, this paper introduces a novel transformer-based model named Audio-Video Transformer Fusion with Cross Attention (AVT-CA). The AVT-CA model employs a transformer fusion approach to effectively capture and synchronize interlinked features from both audio and video inputs, thereby resolving synchronization problems. Additionally, the Cross Attention mechanism within AVT-CA selectively extracts and emphasizes critical features while discarding irrelevant ones from both modalities, addressing feature extraction and fusion challenges. Extensive experimental analysis conducted on the CMU-MOSEI, RAVDESS and CREMA-D datasets demonstrates the efficacy of the proposed model. The results underscore the importance of AVT-CA in developing precise and reliable multimodal emotion recognition systems for practical applications.
Authors: Shih-Kai Chou, Jernej Hribar, Vid Han\v{z}el, Mihael Mohor\v{c}i\v{c}, Carolina Fortuna
Abstract: Artificial Intelligence (AI) coupled with the existing Internet of Things (IoT) enables more autonomous operations across various economic sectors. While this paradigm shift results in increased energy consumption it is difficult to quantify the end-to-end energy consumption of such systems with the conventional metrics as they either focus on the communication, the computation infrastructure or model development. To address this, we propose a new metric, the Energy Cost of AI lifecycle (eCAL). eCAL captures the energy consumption throughout the architectural components and lifecycle of an AI-powered wireless system by analyzing the complexity of data collection and manipulation in individual components and deriving overall and per-bit energy consumption. We show that the better a model and the more it is used, the more energy efficient an inference is. For an example Artificial Intelligence of Things (AIoT) configuration, eCAL for making 100 inferences is 2.73 times higher than for 1000 inferences. Additionally, we developed a modular open source simulation tool to enable researchers, practitioners, and engineers to calculate the end-to-end energy cost with various configurations and across various systems, ensuring adaptability to diverse use cases.
Authors: Ritwik Mishra, Sreeram Vennam, Rajiv Ratn Shah, Ponnurangam Kumaraguru
Abstract: Most existing Question Answering Datasets (QuADs) primarily focus on factoid-based short-context Question Answering (QA) in high-resource languages. However, the scope of such datasets for low-resource languages remains limited, with only a few works centered on factoid-based QuADs and none on non-factoid QuADs. Therefore, this work presents MuNfQuAD, a multilingual QuAD with non-factoid questions. It utilizes interrogative sub-headings from BBC news articles as questions and the corresponding paragraphs as silver answers. The dataset comprises over 578K QA pairs across 38 languages, encompassing several low-resource languages, and stands as the largest multilingual QA dataset to date. Based on the manual annotations of 790 QA-pairs from MuNfQuAD (golden set), we observe that 98\% of questions can be answered using their corresponding silver answer. Our fine-tuned Answer Paragraph Selection (APS) model outperforms the baselines. The APS model attained an accuracy of 80\% and 72\%, as well as a macro F1 of 72\% and 66\%, on the MuNfQuAD testset and the golden set, respectively. Furthermore, the APS model effectively generalizes a certain language within the golden set, even after being fine-tuned on silver labels. We also observe that the fine-tuned APS model is beneficial for reducing the context of a question. These findings suggest that this resource would be a valuable contribution to the QA research community.
Authors: Yize Zhao, Tina Behnia, Vala Vakilian, Christos Thrampoulidis
Abstract: Next-token prediction (NTP) over large text corpora has become the go-to paradigm to train large language models. Yet, it remains unclear how NTP influences the mapping of linguistic patterns to geometric properties of the resulting model representations. We frame training of large language models as soft-label classification over sparse probabilistic label vectors, coupled with an analytical approximation that allows unrestricted generation of context embeddings. This approach links NTP training to rank-constrained, nuclear-norm regularized optimization in the logit domain, offering a framework for analyzing the geometry of word and context embeddings. In large embedding spaces, we find that NTP implicitly favors learning logits with a sparse plus low-rank structure. While the sparse component captures the co-occurrence frequency of context-word pairs, the orthogonal low-rank component, which becomes dominant as training progresses, depends solely on the sparsity pattern of the co-occurrence matrix. Consequently, when projected onto an appropriate subspace, representations of contexts that are followed by the same set of next-tokens collapse, a phenomenon we term subspace-collapse. We validate our findings on synthetic and small-scale real language datasets. Finally, we outline potential research directions aimed at deepening the understanding of NTP's influence on the learning of linguistic patterns and regularities.
Authors: Shivam Barwey, Pinaki Pal, Saumil Patel, Riccardo Balin, Bethany Lusch, Venkatram Vishwanath, Romit Maulik, Ramesh Balakrishnan
Abstract: A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. The architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor-Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.
Authors: Zheng Zhao, Ziwei Luo, Jens Sj\"olund, Thomas B. Sch\"on
Abstract: Generative diffusions are a powerful class of Monte Carlo samplers that leverage bridging Markov processes to approximate complex, high-dimensional distributions, such as those found in image processing and language models. Despite their success in these domains, an important open challenge remains: extending these techniques to sample from conditional distributions, as required in, for example, Bayesian inverse problems. In this paper, we present a comprehensive review of existing computational approaches to conditional sampling within generative diffusion models. Specifically, we highlight key methodologies that either utilise the joint distribution, or rely on (pre-trained) marginal distributions with explicit likelihoods, to construct conditional generative samplers.
Authors: Haotian Sun, Tao Lei, Bowen Zhang, Yanghao Li, Haoshuo Huang, Ruoming Pang, Bo Dai, Nan Du
Abstract: Diffusion transformers have been widely adopted for text-to-image synthesis. While scaling these models up to billions of parameters shows promise, the effectiveness of scaling beyond current sizes remains underexplored and challenging. By explicitly exploiting the computational heterogeneity of image generations, we develop a new family of Mixture-of-Experts (MoE) models (EC-DIT) for diffusion transformers with expert-choice routing. EC-DIT learns to adaptively optimize the compute allocated to understand the input texts and generate the respective image patches, enabling heterogeneous computation aligned with varying text-image complexities. This heterogeneity provides an efficient way of scaling EC-DIT up to 97 billion parameters and achieving significant improvements in training convergence, text-to-image alignment, and overall generation quality over dense models and conventional MoE models. Through extensive ablations, we show that EC-DIT demonstrates superior scalability and adaptive compute allocation by recognizing varying textual importance through end-to-end training. Notably, in text-to-image alignment evaluation, our largest models achieve a state-of-the-art GenEval score of 71.68% and still maintain competitive inference speed with intuitive interpretability.
Authors: Hong-You Chen, Zhengfeng Lai, Haotian Zhang, Xinze Wang, Marcin Eichner, Keen You, Meng Cao, Bowen Zhang, Yinfei Yang, Zhe Gan
Abstract: Contrastive Language-Image Pre-training (CLIP) has been a celebrated method for training vision encoders to generate image/text representations facilitating various applications. Recently, CLIP has been widely adopted as the vision backbone of multimodal large language models (MLLMs) to connect image inputs for language interactions. The success of CLIP as a vision-language foundation model relies on aligning web-crawled noisy text annotations at image levels. Nevertheless, such criteria may become insufficient for downstream tasks in need of fine-grained vision representations, especially when region-level understanding is demanding for MLLMs. In this paper, we improve the localization capability of CLIP with several advances. We propose a pre-training method called Contrastive Localized Language-Image Pre-training (CLOC) by complementing CLIP with region-text contrastive loss and modules. We formulate a new concept, promptable embeddings, of which the encoder produces image embeddings easy to transform into region representations given spatial hints. To support large-scale pre-training, we design a visually-enriched and spatially-localized captioning framework to effectively generate region-text pseudo-labels at scale. By scaling up to billions of annotated images, CLOC enables high-quality regional embeddings for image region recognition and retrieval tasks, and can be a drop-in replacement of CLIP to enhance MLLMs, especially on referring and grounding tasks.
Authors: Haiyun He, Yepeng Liu, Ziqiao Wang, Yongyi Mao, Yuheng Bu
Abstract: Watermarking has emerged as a crucial method to distinguish AI-generated text from human-created text. In this paper, we present a novel theoretical framework for watermarking Large Language Models (LLMs) that jointly optimizes both the watermarking scheme and the detection process. Our approach focuses on maximizing detection performance while maintaining control over the worst-case Type-I error and text distortion. We characterize \emph{the universally minimum Type-II error}, showing a fundamental trade-off between watermark detectability and text distortion. Importantly, we identify that the optimal watermarking schemes are adaptive to the LLM generative distribution. Building on our theoretical insights, we propose an efficient, model-agnostic, distribution-adaptive watermarking algorithm, utilizing a surrogate model alongside the Gumbel-max trick. Experiments conducted on Llama2-13B and Mistral-8$\times$7B models confirm the effectiveness of our approach. Additionally, we examine incorporating robustness into our framework, paving a way to future watermarking systems that withstand adversarial attacks more effectively.
Authors: Mutian He, Philip N. Garner
Abstract: Architectures such as Linformer and Mamba have recently emerged as competitive linear time replacements for transformers. However, corresponding large pretrained models are often unavailable, especially in non-text domains. To remedy this, we present a Cross-Architecture Layerwise Distillation (CALD) approach that jointly converts a transformer model to a linear time substitute and fine-tunes it to a target task. We also compare several means to guide the fine-tuning to optimally retain the desired inference capability from the original model. The methods differ in their use of the target model and the trajectory of the parameters. In a series of empirical studies on language processing, language modeling, and speech processing, we show that CALD can effectively recover the result of the original model, and that the guiding strategy contributes to the result. Some reasons for the variation are suggested.
Authors: Shojiro Yamabe, Futa Waseda, Koki Wataoka, Tsubasa Takahashi
Abstract: Protecting the intellectual property of Large Language Models (LLMs) has become increasingly critical due to the high cost of training. Model merging, which integrates multiple expert models into a single multi-task model, introduces a novel risk of unauthorized use of LLMs due to its efficient merging process. While fingerprinting techniques have been proposed for verifying model ownership, their resistance to model merging remains unexplored. To address this gap, we propose a novel fingerprinting method, MergePrint, which embeds robust fingerprints capable of surviving model merging. MergePrint enables black-box ownership verification, where owners only need to check if a model produces target outputs for specific fingerprint inputs, without accessing model weights or intermediate outputs. By optimizing against a pseudo-merged model that simulates merged behavior, MergePrint ensures fingerprints that remain detectable after merging. Additionally, to minimize performance degradation, we pre-optimize the fingerprint inputs. MergePrint pioneers a practical solution for black-box ownership verification, protecting LLMs from misappropriation via merging, while also excelling in resistance to broader model theft threats.
Authors: Haoyang Su, Renqi Chen, Shixiang Tang, Zhenfei Yin, Xinzhe Zheng, Jinzhe Li, Biqing Qi, Qi Wu, Hui Li, Wanli Ouyang, Philip Torr, Bowen Zhou, Nanqing Dong
Abstract: The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short of replicating the collaborative nature of real-world scientific practices, where diverse experts work together in teams to tackle complex problems. To address the limitations, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel scientific ideas. We further investigate the collaboration mechanisms that contribute to its tendency to produce ideas with higher novelty, offering valuable insights to guide future research and illuminating pathways toward building a robust system for autonomous scientific discovery. The code is available at https://github.com/open-sciencelab/Virtual-Scientists.
URLs: https://github.com/open-sciencelab/Virtual-Scientists.
Authors: Yanjie Ze, Zixuan Chen, Wenhao Wang, Tianyi Chen, Xialin He, Ying Yuan, Xue Bin Peng, Jiajun Wu
Abstract: Humanoid robots capable of autonomous operation in diverse environments have long been a goal for roboticists. However, autonomous manipulation by humanoid robots has largely been restricted to one specific scene, primarily due to the difficulty of acquiring generalizable skills and the expensiveness of in-the-wild humanoid robot data. In this work, we build a real-world robotic system to address this challenging problem. Our system is mainly an integration of 1) a whole-upper-body robotic teleoperation system to acquire human-like robot data, 2) a 25-DoF humanoid robot platform with a height-adjustable cart and a 3D LiDAR sensor, and 3) an improved 3D Diffusion Policy learning algorithm for humanoid robots to learn from noisy human data. We run more than 2000 episodes of policy rollouts on the real robot for rigorous policy evaluation. Empowered by this system, we show that using only data collected in one single scene and with only onboard computing, a full-sized humanoid robot can autonomously perform skills in diverse real-world scenarios. Videos are available at \href{https://humanoid-manipulation.github.io}{humanoid-manipulation.github.io}.
Authors: Fatih Dogangun, Serdar Bahar, Yigit Yildirim, Bora Toprak Temir, Emre Ugur, Mustafa Doga Dogan
Abstract: This paper introduces Robotic Augmented Reality for Machine Programming by Demonstration (RAMPA), the first ML-integrated, XR-driven end-to-end robotic system, allowing training and deployment of ML models such as ProMPs on the fly, and utilizing the capabilities of state-of-the-art and commercially available AR headsets, e.g., Meta Quest 3, to facilitate the application of Programming by Demonstration (PbD) approaches on industrial robotic arms, e.g., Universal Robots UR10. Our approach enables in-situ data recording, visualization, and fine-tuning of skill demonstrations directly within the user's physical environment. RAMPA addresses critical challenges of PbD, such as safety concerns, programming barriers, and the inefficiency of collecting demonstrations on the actual hardware. The performance of our system is evaluated against the traditional method of kinesthetic control in teaching three different robotic manipulation tasks and analyzed with quantitative metrics, measuring task performance and completion time, trajectory smoothness, system usability, user experience, and task load using standardized surveys. Our findings indicate a substantial advancement in how robotic tasks are taught and refined, promising improvements in operational safety, efficiency, and user engagement in robotic programming.
Authors: Elisabeth Kirsten, Ivan Habernal, Vedant Nanda, Muhammad Bilal Zafar
Abstract: Last few years have seen unprecedented advances in capabilities of Large Language Models (LLMs). These advancements promise to benefit a vast array of application domains. However, due to their immense size, performing inference with LLMs is both costly and slow. Consequently, a plethora of recent work has proposed strategies to enhance inference efficiency, e.g., quantization, pruning, and caching. These acceleration strategies reduce the inference cost and latency, often by several factors, while maintaining much of the predictive performance measured via common benchmarks. In this work, we explore another critical aspect of LLM performance: demographic bias in model generations due to inference acceleration optimizations. Using a wide range of metrics, we probe bias in model outputs from a number of angles. Analysis of outputs before and after inference acceleration shows significant change in bias. Worryingly, these bias effects are complex and unpredictable. A combination of an acceleration strategy and bias type may show little bias change in one model but may lead to a large effect in another. Our results highlight a need for in-depth and case-by-case evaluation of model bias after it has been modified to accelerate inference.
Authors: David M. Bossens, Kishor Bharti, Jayne Thompson
Abstract: Parametrised quantum circuits offer expressive and data-efficient representations for machine learning. Due to quantum states residing in a high-dimensional Hilbert space, parametrised quantum circuits have a natural interpretation in terms of kernel methods. The representation of quantum circuits in terms of quantum kernels has been studied widely in quantum supervised learning, but has been overlooked in the context of quantum RL. This paper proposes parametric and non-parametric policy gradient and actor-critic algorithms with quantum kernel policies in quantum environments. This approach, implemented with both numerical and analytical quantum policy gradient techniques, allows exploiting the many advantages of kernel methods, including data-driven forms for functions (and their gradients) as well as tunable expressiveness. The proposed approach is suitable for vector-valued action spaces and each of the formulations demonstrates a quadratic reduction in query complexity compared to their classical counterparts. Two actor-critic algorithms, one based on stochastic policy gradient and one based on deterministic policy gradient (comparable to the popular DDPG algorithm), demonstrate additional query complexity reductions compared to quantum policy gradient algorithms under favourable conditions.
Authors: Yu-Tung Liu, Kuan-Chen Wang, Rong Chao, Sabato Marco Siniscalchi, Ping-Cheng Yeh, Yu Tsao
Abstract: Surface electromyography (sEMG) recordings can be contaminated by electrocardiogram (ECG) signals when the monitored muscle is closed to the heart. Traditional signal processing-based approaches, such as high-pass filtering and template subtraction, have been used to remove ECG interference but are often limited in their effectiveness. Recently, neural network-based methods have shown greater promise for sEMG denoising, but they still struggle to balance both efficiency and effectiveness. In this study, we introduce MSEMG, a novel system that integrates the Mamba state space model with a convolutional neural network to serve as a lightweight sEMG denoising model. We evaluated MSEMG using sEMG data from the Non-Invasive Adaptive Prosthetics database and ECG signals from the MIT-BIH Normal Sinus Rhythm Database. The results show that MSEMG outperforms existing methods, generating higher-quality sEMG signals using fewer parameters.
Authors: Ahc\`ene Boubekki, Samuel G. Fadel, Sebastian Mair
Abstract: Recent developments in the field of explainable artificial intelligence (XAI) for vision models investigate the information extracted by their feature encoder. We contribute to this effort and propose Neuro-Activated Vision Explanations (NAVE), which extracts the information captured by the encoder by clustering the feature activations of the frozen network to be explained. The method does not aim to explain the model's prediction but to answer questions such as which parts of the image are processed similarly or which information is kept in deeper layers. Experimentally, we leverage NAVE to show that the training dataset and the level of supervision affect which concepts are captured. In addition, our method reveals the impact of registers on vision transformers (ViT) and the information saturation caused by the watermark Clever Hans effect in the training set.
Authors: Pengjie Zhou, Haoyu Wei, Huiming Zhang
Abstract: Reinforcement Learning (RL) is a widely researched area in artificial intelligence that focuses on teaching agents decision-making through interactions with their environment. A key subset includes stochastic multi-armed bandit (MAB) and continuum-armed bandit (SCAB) problems, which model sequential decision-making under uncertainty. This review outlines the foundational models and assumptions of bandit problems, explores non-asymptotic theoretical tools like concentration inequalities and minimax regret bounds, and compares frequentist and Bayesian algorithms for managing exploration-exploitation trade-offs. Additionally, we explore K-armed contextual bandits and SCAB, focusing on their methodologies and regret analyses. We also examine the connections between SCAB problems and functional data analysis. Finally, we highlight recent advances and ongoing challenges in the field.
Authors: Chaozheng Wen, Jingwen Tong, Yingdong Hu, Zehong Lin, Jun Zhang
Abstract: Wireless channel modeling plays a pivotal role in designing, analyzing, and optimizing wireless communication systems. Nevertheless, developing an effective channel modeling approach has been a longstanding challenge. This issue has been escalated due to the denser network deployment, larger antenna arrays, and wider bandwidth in 5G and beyond networks. To address this challenge, we put forth WRF-GS, a novel framework for channel modeling based on wireless radiation field (WRF) reconstruction using 3D Gaussian splatting. WRF-GS employs 3D Gaussian primitives and neural networks to capture the interactions between the environment and radio signals, enabling efficient WRF reconstruction and visualization of the propagation characteristics. The reconstructed WRF can then be used to synthesize the spatial spectrum for comprehensive wireless channel characterization. Notably, with a small number of measurements, WRF-GS can synthesize new spatial spectra within milliseconds for a given scene, thereby enabling latency-sensitive applications. Experimental results demonstrate that WRF-GS outperforms existing methods for spatial spectrum synthesis, such as ray tracing and other deep-learning approaches. Moreover, WRF-GS achieves superior performance in the channel state information prediction task, surpassing existing methods by a significant margin of more than 2.43 dB.
Authors: Minzheng Wang, Xinghua Zhang, Kun Chen, Nan Xu, Haiyang Yu, Fei Huang, Wenji Mao, Yongbin Li
Abstract: Large language models (LLMs) enabled dialogue systems have become one of the central modes in human-machine interaction, which bring about vast amounts of conversation logs and increasing demand for dialogue generation. The dialogue's life-cycle spans from $\textit{Prelude}$ through $\textit{Interlocution}$ to $\textit{Epilogue}$, encompassing rich dialogue elements. Despite large volumes of dialogue-related studies, there is a lack of systematic investigation into the dialogue stages to frame benchmark construction that covers comprehensive dialogue elements. This hinders the precise modeling, generation and assessment of LLMs-based dialogue systems. To bridge this gap, in this paper, we introduce a new research task--$\textbf{D}$ialogue $\textbf{E}$lement $\textbf{MO}$deling, including $\textit{Element Awareness}$ and $\textit{Dialogue Agent Interaction}$, and propose a novel benchmark, $\textbf{DEMO}$, designed for a comprehensive dialogue modeling and assessment. On this basis, we further build the DEMO agent with the adept ability to model dialogue elements via imitation learning. Extensive experiments on DEMO indicate that current representative LLMs still have considerable potential for enhancement, and our DEMO agent performs well in both dialogue element modeling and out-of-domain tasks.
Authors: Myeong-Su Lee, Jaemin Oh, Dong-Chan Lee, KangWook Lee, Sooncheol Park, Youngjoon Hong
Abstract: In this work, we address the challenges posed by the high nonlinearity of the Butler-Volmer (BV) equation in forward and inverse simulations of the pseudo-two-dimensional (P2D) model using the physics-informed neural network (PINN) framework. The BV equation presents significant challenges for PINNs, primarily due to the hyperbolic sine term, which renders the Hessian of the PINN loss function highly ill-conditioned. To address this issue, we introduce a bypassing term that improves numerical stability by substantially reducing the condition number of the Hessian matrix. Furthermore, the small magnitude of the ionic flux \( j \) often leads to a common failure mode where PINNs converge to incorrect solutions. We demonstrate that incorporating a secondary conservation law for the solid-phase potential \( \psi \) effectively prevents such convergence issues and ensures solution accuracy. The proposed methods prove effective for solving both forward and inverse problems involving the BV equation. Specifically, we achieve precise parameter estimation in inverse scenarios and reliable solution predictions for forward simulations.
Authors: Shayne Longpre, Nikhil Singh, Manuel Cherep, Kushagra Tiwary, Joanna Materzynska, William Brannon, Robert Mahari, Naana Obeng-Marnu, Manan Dey, Mohammed Hamdy, Nayan Saxena, Ahmad Mustafa Anis, Emad A. Alghamdi, Vu Minh Chien, Da Yin, Kun Qian, Yizhi Li, Minnie Liang, An Dinh, Shrestha Mohanty, Deividas Mataciunas, Tobin South, Jianguo Zhang, Ariel N. Lee, Campbell S. Lund, Christopher Klamm, Damien Sileo, Diganta Misra, Enrico Shippole, Kevin Klyman, Lester JV Miranda, Niklas Muennighoff, Seonghyeon Ye, Seungone Kim, Vipul Gupta, Vivek Sharma, Xuhui Zhou, Caiming Xiong, Luis Villa, Stella Biderman, Alex Pentland, Sara Hooker, Jad Kabbara
Abstract: Progress in AI is driven largely by the scale and quality of training data. Despite this, there is a deficit of empirical analysis examining the attributes of well-established datasets beyond text. In this work we conduct the largest and first-of-its-kind longitudinal audit across modalities--popular text, speech, and video datasets--from their detailed sourcing trends and use restrictions to their geographical and linguistic representation. Our manual analysis covers nearly 4000 public datasets between 1990-2024, spanning 608 languages, 798 sources, 659 organizations, and 67 countries. We find that multimodal machine learning applications have overwhelmingly turned to web-crawled, synthetic, and social media platforms, such as YouTube, for their training sets, eclipsing all other sources since 2019. Secondly, tracing the chain of dataset derivations we find that while less than 33% of datasets are restrictively licensed, over 80% of the source content in widely-used text, speech, and video datasets, carry non-commercial restrictions. Finally, counter to the rising number of languages and geographies represented in public AI training datasets, our audit demonstrates measures of relative geographical and multilingual representation have failed to significantly improve their coverage since 2013. We believe the breadth of our audit enables us to empirically examine trends in data sourcing, restrictions, and Western-centricity at an ecosystem-level, and that visibility into these questions are essential to progress in responsible AI. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire multimodal audit, allowing practitioners to trace data provenance across text, speech, and video.
Authors: Yichao Zhong, Chong Zhang, Tairan He, Guanya Shi
Abstract: Real-world legged locomotion systems often need to reconcile agility and safety for different scenarios. Moreover, the underlying dynamics are often unknown and time-variant (e.g., payload, friction). In this paper, we introduce BAS (Bridging Adaptivity and Safety), which builds upon the pipeline of prior work Agile But Safe (ABS)(He et al.) and is designed to provide adaptive safety even in dynamic environments with uncertainties. BAS involves an agile policy to avoid obstacles rapidly and a recovery policy to prevent collisions, a physical parameter estimator that is concurrently trained with agile policy, and a learned control-theoretic RA (reach-avoid) value network that governs the policy switch. Also, the agile policy and RA network are both conditioned on physical parameters to make them adaptive. To mitigate the distribution shift issue, we further introduce an on-policy fine-tuning phase for the estimator to enhance its robustness and accuracy. The simulation results show that BAS achieves 50% better safety than baselines in dynamic environments while maintaining a higher speed on average. In real-world experiments, BAS shows its capability in complex environments with unknown physics (e.g., slippery floors with unknown frictions, unknown payloads up to 8kg), while baselines lack adaptivity, leading to collisions or. degraded agility. As a result, BAS achieves a 19.8% increase in speed and gets a 2.36 times lower collision rate than ABS in the real world. Videos: https://adaptive-safe-locomotion.github.io.
Authors: William Cole Nockolds, C. G. Krishnanunni, Tan Bui-Thanh
Abstract: Solving stiff ordinary differential equations (StODEs) requires sophisticated numerical solvers, which are often computationally expensive. In particular, StODE's often cannot be solved with traditional explicit time integration schemes and one must resort to costly implicit methods to compute solutions. On the other hand, state-of-the-art machine learning (ML) based methods such as Neural ODE (NODE) poorly handle the timescale separation of various elements of the solutions to StODEs and require expensive implicit solvers for integration at inference time. In this work, we embark on a different path which involves learning a latent dynamics for StODEs, in which one completely avoids numerical integration. To that end, we consider a constant velocity latent dynamical system whose solution is a sequence of straight lines. Given the initial condition and parameters of the ODE, the encoder networks learn the slope (i.e the constant velocity) and the initial condition for the latent dynamics. In other words, the solution of the original dynamics is encoded into a sequence of straight lines which can be decoded back to retrieve the actual solution as and when required. Another key idea in our approach is a nonlinear transformation of time, which allows for the "stretching/squeezing" of time in the latent space, thereby allowing for varying levels of attention to different temporal regions in the solution. Additionally, we provide a simple universal-approximation-type proof showing that our approach can approximate the solution of stiff nonlinear system on a compact set to any degree of accuracy, {\epsilon}. We show that the dimension of the latent dynamical system in our approach is independent of {\epsilon}. Numerical investigation on prototype StODEs suggest that our method outperforms state-of-the art machine learning approaches for handling StODEs.
Authors: Dazhou Yu, Genpei Zhang, Liang Zhao
Abstract: Ubiquitous geometric objects can be precisely and efficiently represented as polyhedra. The transformation of a polyhedron into a vector, known as polyhedra representation learning, is crucial for manipulating these shapes with mathematical and statistical tools for tasks like classification, clustering, and generation. Recent years have witnessed significant strides in this domain, yet most efforts focus on the vertex sequence of a polyhedron, neglecting the complex surface modeling crucial in real-world polyhedral objects. This study proposes \textbf{PolyhedronNet}, a general framework tailored for learning representations of 3D polyhedral objects. We propose the concept of the surface-attributed graph to seamlessly model the vertices, edges, faces, and their geometric interrelationships within a polyhedron. To effectively learn the representation of the entire surface-attributed graph, we first propose to break it down into local rigid representations to effectively learn each local region's relative positions against the remaining regions without geometric information loss. Subsequently, we propose PolyhedronGNN to hierarchically aggregate the local rigid representation via intra-face and inter-face geometric message passing modules, to obtain a global representation that minimizes information loss while maintaining rotation and translation invariance. Our experimental evaluations on four distinct datasets, encompassing both classification and retrieval tasks, substantiate PolyhedronNet's efficacy in capturing comprehensive and informative representations of 3D polyhedral objects. Code and data are available at {https://github.com/dyu62/3D_polyhedron}.
Authors: Zican Dong, Junyi Li, Jinhao Jiang, Mingyu Xu, Wayne Xin Zhao, Bingning Wang, Weipeng Chen
Abstract: Large language models (LLMs) have gained extended context windows through scaling positional encodings and lightweight continual pre-training. However, this often leads to degraded performance on short-text tasks, while the reasons for this degradation remain insufficiently explored. In this work, we identify two primary factors contributing to this issue: distribution drift in hidden states and attention scores, and catastrophic forgetting during continual pre-training. To address these challenges, we propose Long Context Pre-training with Restoration Distillation (LongReD), a novel approach designed to mitigate short-text performance degradation through minimizing the distribution discrepancy between the extended and original models. Besides training on long texts, LongReD distills the hidden state of selected layers from the original model on short texts. Additionally, LongReD also introduces a short-to-long distillation, aligning the output distribution on short texts with that on long texts by leveraging skipped positional indices. Experiments on common text benchmarks demonstrate that LongReD effectively preserves the model's short-text performance while maintaining comparable or even better capacity to handle long texts than baselines. Our code is available at https://github.com/RUCAIBox/LongReD.
Authors: Ibrahim Alabdulmohsin, Xiaohua Zhai
Abstract: Recent research in language modeling reveals two scaling effects: the well-known improvement from increased training compute, and a lesser-known boost from applying more sophisticated or computationally intensive inference methods. Inspired by recent findings on the fractal geometry of language, we introduce Recursive INference Scaling (RINS) as a complementary, plug-in recipe for scaling inference time. For a given fixed model architecture and training compute budget, RINS substantially improves language modeling performance. It also generalizes beyond pure language tasks, delivering gains in multimodal systems, including a +2% improvement in 0-shot ImageNet accuracy for SigLIP-B/16. Additionally, by deriving data scaling laws, we show that RINS improves both the asymptotic performance limits and the scaling exponents. These advantages are maintained even when compared to state-of-the-art recursive techniques like the "repeat-all-over" (RAO) strategy in Mobile LLM. Finally, stochastic RINS not only can enhance performance further but also provides the flexibility to optionally forgo increased inference computation at test time with minimal performance degradation.
Authors: Ao Li, Wei Fang, Hongbo Zhao, Le Lu, Ge Yang, Minfeng Xu
Abstract: In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean Reverting (MR) Diffusion directly modifies the structure of the stochastic differential equation (SDE), making the incorporation of image conditions simpler and more natural. However, current training-free fast samplers are not directly applicable to MR Diffusion. And thus MR Diffusion requires hundreds of NFEs (number of function evaluations) to obtain high-quality samples. In this paper, we propose a new algorithm named MRS (MR Sampler) to reduce the sampling NFEs of MR Diffusion. We solve the reverse-time SDE and the probability flow ordinary differential equation (PF-ODE) associated with MR Diffusion, and derive semi-analytical solutions. The solutions consist of an analytical function and an integral parameterized by a neural network. Based on this solution, we can generate high-quality samples in fewer steps. Our approach does not require training and supports all mainstream parameterizations, including noise prediction, data prediction and velocity prediction. Extensive experiments demonstrate that MR Sampler maintains high sampling quality with a speedup of 10 to 20 times across ten different image restoration tasks. Our algorithm accelerates the sampling procedure of MR Diffusion, making it more practical in controllable generation.
Authors: Hamed Valizadegan, Miguel J. S. Martinho, Jon M. Jenkins, Joseph D. Twicken, Douglas A. Caldwell, Patrick Maynard, Hongbo Wei, William Zhong, Charles Yates, Sam Donald, Karen A. Collins, David Latham, Khalid Barkaoui, Perry Berlind, Michael L. Calkins, Kylee Carden, Nikita Chazov, Gilbert A. Esquerdo, Tristan Guillot, Vadim Krushinsky, Grzegorz Nowak, Benjamin V. Rackham, Amaury Triaud, Richard P. Schwarz, Denise Stephens, Chris Stockdale, Jiaqi Wang, Cristilyn N. Watkins, Francis P. Wilkin
Abstract: We present ExoMiner++, an enhanced deep learning model that builds on the success of ExoMiner to improve transit signal classification in 2-minute TESS data. ExoMiner++ incorporates additional diagnostic inputs, including periodogram, flux trend, difference image, unfolded flux, and spacecraft attitude control data, all of which are crucial for effectively distinguishing transit signals from more challenging sources of false positives. To further enhance performance, we leverage transfer learning from high-quality labeled data from the Kepler space telescope, mitigating the impact of TESS's noisier and more ambiguous labels. ExoMiner++ achieves high accuracy across various classification and ranking metrics, significantly narrowing the search space for follow-up investigations to confirm new planets. To serve the exoplanet community, we introduce new TESS catalogs containing ExoMiner++ classifications and confidence scores for each transit signal. Among the 147,568 unlabeled TCEs, ExoMiner++ identifies 7,330 as planet candidates, with the remainder classified as false positives. These 7,330 planet candidates correspond to 1,868 existing TESS Objects of Interest (TOIs), 69 Community TESS Objects of Interest (CTOIs), and 50 newly introduced CTOIs. 1,797 out of the 2,506 TOIs previously labeled as planet candidates in ExoFOP are classified as planet candidates by ExoMiner++. This reduction in plausible candidates combined with the excellent ranking quality of ExoMiner++ allows the follow-up efforts to be focused on the most likely candidates, increasing the overall planet yield.
Authors: Shreya Shukla, Jose Torres, Abhijit Mishra, Jacek Gwizdka, Shounak Roychowdhury
Abstract: Integration of Brain-Computer Interfaces (BCIs) and Generative Artificial Intelligence (GenAI) has opened new frontiers in brain signal decoding, enabling assistive communication, neural representation learning, and multimodal integration. BCIs, particularly those leveraging Electroencephalography (EEG), provide a non-invasive means of translating neural activity into meaningful outputs. Recent advances in deep learning, including Generative Adversarial Networks (GANs) and Transformer-based Large Language Models (LLMs), have significantly improved EEG-based generation of images, text, and speech. This paper provides a literature review of the state-of-the-art in EEG-based multimodal generation, focusing on (i) EEG-to-image generation through GANs, Variational Autoencoders (VAEs), and Diffusion Models, and (ii) EEG-to-text generation leveraging Transformer based language models and contrastive learning methods. Additionally, we discuss the emerging domain of EEG-to-speech synthesis, an evolving multimodal frontier. We highlight key datasets, use cases, challenges, and EEG feature encoding methods that underpin generative approaches. By providing a structured overview of EEG-based generative AI, this survey aims to equip researchers and practitioners with insights to advance neural decoding, enhance assistive technologies, and expand the frontiers of brain-computer interaction.
Authors: Xiaogang Jia, Atalay Donat, Xi Huang, Xuan Zhao, Denis Blessing, Hongyi Zhou, Han A. Wang, Hanyi Zhang, Qian Wang, Rudolf Lioutikov, Gerhard Neumann
Abstract: Designing modern imitation learning (IL) policies requires making numerous decisions, including the selection of feature encoding, architecture, policy representation, and more. As the field rapidly advances, the range of available options continues to grow, creating a vast and largely unexplored design space for IL policies. In this work, we present X-IL, an accessible open-source framework designed to systematically explore this design space. The framework's modular design enables seamless swapping of policy components, such as backbones (e.g., Transformer, Mamba, xLSTM) and policy optimization techniques (e.g., Score-matching, Flow-matching). This flexibility facilitates comprehensive experimentation and has led to the discovery of novel policy configurations that outperform existing methods on recent robot learning benchmarks. Our experiments demonstrate not only significant performance gains but also provide valuable insights into the strengths and weaknesses of various design choices. This study serves as both a practical reference for practitioners and a foundation for guiding future research in imitation learning.
Authors: Ori Yonay, Tracy Hammond, Tianbao Yang
Abstract: We present Myna, a simple yet effective approach for self-supervised musical representation learning. Built on a contrastive learning framework, Myna introduces two key innovations: (1) the use of a Vision Transformer (ViT) on mel-spectrograms as the backbone and (2) a novel data augmentation strategy, token masking, that masks 90 percent of spectrogram tokens. These innovations deliver both effectiveness and efficiency: (i) Token masking enables a significant increase in per-GPU batch size, from 48 or 120 in prior methods (CLMR, MULE) to 4096. (ii) By avoiding traditional augmentations, Myna retains pitch sensitivity, enhancing performance in tasks like key detection. (iii) The use of vertical patches allows the model to better capture critical features for key detection. Our hybrid model, Myna-22M-Hybrid, processes both 16x16 and 128x2 patches, achieving state-of-the-art results. Trained on a single GPU, it outperforms MULE (62M) on average and rivals MERT-95M, which was trained on 16 and 64 GPUs, respectively. Additionally, it surpasses MERT-95M-public, establishing itself as the best-performing model trained on publicly available data. We release our code and models to promote reproducibility and facilitate future research.
Authors: Antonio Purificato, Maria Sofia Bucarelli, Anil Kumar Nelakanti, Andrea Bacciu, Fabrizio Silvestri, Amin Mantrach
Abstract: Reliably labelling data typically requires annotations from multiple human workers. However, humans are far from being perfect. Hence, it is a common practice to aggregate labels gathered from multiple annotators to make a more confident estimate of the true label. Among many aggregation methods, the simple and well known Majority Vote (MV) selects the class label polling the highest number of votes. However, despite its importance, the optimality of MV's label aggregation has not been extensively studied. We address this gap in our work by characterising the conditions under which MV achieves the theoretically optimal lower bound on label estimation error. Our results capture the tolerable limits on annotation noise under which MV can optimally recover labels for a given class distribution. This certificate of optimality provides a more principled approach to model selection for label aggregation as an alternative to otherwise inefficient practices that sometimes include higher experts, gold labels, etc., that are all marred by the same human uncertainty despite huge time and monetary costs. Experiments on both synthetic and real world data corroborate our theoretical findings.