Authors: Nathan P. Lawrence, Thomas Banker, Ali Mesbah
Abstract: The reinforcement learning (RL) and model predictive control (MPC) communities have developed vast ecosystems of theoretical approaches and computational tools for solving optimal control problems. Given their conceptual similarities but differing strengths, there has been increasing interest in synergizing RL and MPC. However, existing approaches tend to be limited for various reasons, including computational cost of MPC in an RL algorithm and software hurdles towards seamless integration of MPC and RL tools. These challenges often result in the use of "simple" MPC schemes or RL algorithms, neglecting the state-of-the-art in both areas. This paper presents MPCritic, a machine learning-friendly architecture that interfaces seamlessly with MPC tools. MPCritic utilizes the loss landscape defined by a parameterized MPC problem, focusing on "soft" optimization over batched training steps; thereby updating the MPC parameters while avoiding costly minimization and parametric sensitivities. Since the MPC structure is preserved during training, an MPC agent can be readily used for online deployment, where robust constraint satisfaction is paramount. We demonstrate the versatility of MPCritic, in terms of MPC architectures and RL algorithms that it can accommodate, on classic control benchmarks.
Authors: Christopher Straub, Philipp Brendel, Vlad Medvedev, Andreas Rosskopf
Abstract: We present a novel approach to hard-constrain Neumann boundary conditions in physics-informed neural networks (PINNs) using Fourier feature embeddings. Neumann boundary conditions are used to described critical processes in various application, yet they are more challenging to hard-constrain in PINNs than Dirichlet conditions. Our method employs specific Fourier feature embeddings to directly incorporate Neumann boundary conditions into the neural network's architecture instead of learning them. The embedding can be naturally extended by high frequency modes to better capture high frequency phenomena. We demonstrate the efficacy of our approach through experiments on a diffusion problem, for which our method outperforms existing hard-constraining methods and classical PINNs, particularly in multiscale and high frequency scenarios.
Authors: Mario Heidrich, Jeffrey Heidemann, R\"udiger Buchkremer, Gonzalo Wandosell Fern\'andez de Bobadilla
Abstract: Node embedding refers to techniques that generate low-dimensional vector representations of nodes in a graph while preserving specific properties of the nodes. A key challenge in the field is developing scalable methods that can preserve structural properties suitable for the required types of structural patterns of a given downstream application task. While most existing methods focus on preserving node proximity, those that do preserve structural properties often lack the flexibility to preserve various types of structural patterns required by downstream application tasks. This paper introduces ffstruc2vec, a scalable deep-learning framework for learning node embedding vectors that preserve structural identities. Its flat, efficient architecture allows high flexibility in capturing diverse types of structural patterns, enabling broad adaptability to various downstream application tasks. The proposed framework significantly outperforms existing approaches across diverse unsupervised and supervised tasks in practical applications. Moreover, ffstruc2vec enables explainability by quantifying how individual structural patterns influence task outcomes, providing actionable interpretation. To our knowledge, no existing framework combines this level of flexibility, scalability, and structural interpretability, underscoring its unique capabilities.
Authors: Maciej Makowski, Brandon Gower-Winter, Georg Krempl
Abstract: Performative Drift is a special type of Concept Drift that occurs when a model's predictions influence the future instances the model will encounter. In these settings, retraining is not always feasible. In this work, we instead focus on drift understanding as a method for creating drift-resistant classifiers. To achieve this, we introduce the Generative Domain Adversarial Network (GDAN) which combines both Domain and Generative Adversarial Networks. Using GDAN, domain-invariant representations of incoming data are created and a generative network is used to reverse the effects of performative drift. Using semi-real and synthetic data generators, we empirically evaluate GDAN's ability to provide drift-resistant classification. Initial results are promising with GDAN limiting performance degradation over several timesteps. Additionally, GDAN's generative network can be used in tandem with other models to limit their performance degradation in the presence of performative drift. Lastly, we highlight the relationship between model retraining and the unpredictability of performative drift, providing deeper insights into the challenges faced when using traditional Concept Drift mitigation strategies in the performative setting.
Authors: V\'ictor Ramos-Osuna, Alberto D\'iaz-\'Alvarez, Ra\'ul Lara-Cabrera
Abstract: This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate datasets from diverse astrophysical scenarios which are then transformed into graph representations. A custom-designed GNN is trained to predict particle accelerations with high precision. Experiments, conducted on 60 training and 6 testing simulations spanning from 3 to 500 bodies over 1000 time steps, demonstrate that the proposed model achieves extremely low prediction errors-loss values while maintaining robust long-term stability, with accumulated errors in position, velocity, and acceleration remaining insignificant. Furthermore, our method yields a modest speedup of approximately 17% over conventional simulation techniques. These results indicate that the integration of deep learning with traditional physical simulation methods offers a promising pathway to significantly enhance computational efficiency without compromising accuracy.
Authors: David Moj\v{z}\'i\v{s}ek, Jan H\r{u}la, Ziwei Li, Ziyu Zhou, Mikol\'a\v{s} Janota
Abstract: In this contribution, we provide a comprehensive evaluation of graph neural networks applied to Boolean satisfiability problems, accompanied by an intuitive explanation of the mechanisms enabling the model to generalize to different instances. We introduce several training improvements, particularly a novel closest assignment supervision method that dynamically adapts to the model's current state, significantly enhancing performance on problems with larger solution spaces. Our experiments demonstrate the suitability of variable-clause graph representations with recurrent neural network updates, which achieve good accuracy on SAT assignment prediction while reducing computational demands. We extend the base graph neural network into a diffusion model that facilitates incremental sampling and can be effectively combined with classical techniques like unit propagation. Through analysis of embedding space patterns and optimization trajectories, we show how these networks implicitly perform a process very similar to continuous relaxations of MaxSAT, offering an interpretable view of their reasoning process. This understanding guides our design choices and explains the ability of recurrent architectures to scale effectively at inference time beyond their training distribution, which we demonstrate with test-time scaling experiments.
Authors: Sayera Dhaubhadel (Los Alamos National Laboratory, University of New Mexico), Jamaludin Mohd-Yusof (Los Alamos National Laboratory), Benjamin H. McMahon (Los Alamos National Laboratory), Trilce Estrada (University of New Mexico), Kumkum Ganguly (Los Alamos National Laboratory), Adam Spannaus (Oak Ridge National Laboratory), John P. Gounley (Oak Ridge National Laboratory), Xiao-Cheng Wu (Louisiana Tumor Registry), Eric B. Durbin (Kentucky Cancer Registry), Heidi A. Hanson (Oak Ridge National Laboratory), Tanmoy Bhattacharya (Los Alamos National Laboratory)
Abstract: We present a global explainability method to characterize sources of errors in the histology prediction task of our real-world multitask convolutional neural network (MTCNN)-based deep abstaining classifier (DAC), for automated annotation of cancer pathology reports from NCI-SEER registries. Our classifier was trained and evaluated on 1.04 million hand-annotated samples and makes simultaneous predictions of cancer site, subsite, histology, laterality, and behavior for each report. The DAC framework enables the model to abstain on ambiguous reports and/or confusing classes to achieve a target accuracy on the retained (non-abstained) samples, but at the cost of decreased coverage. Requiring 97% accuracy on the histology task caused our model to retain only 22% of all samples, mostly the less ambiguous and common classes. Local explainability with the GradInp technique provided a computationally efficient way of obtaining contextual reasoning for thousands of individual predictions. Our method, involving dimensionality reduction of approximately 13000 aggregated local explanations, enabled global identification of sources of errors as hierarchical complexity among classes, label noise, insufficient information, and conflicting evidence. This suggests several strategies such as exclusion criteria, focused annotation, and reduced penalties for errors involving hierarchically related classes to iteratively improve our DAC in this complex real-world implementation.
Authors: Jose Gallego-Posada, Juan Ramirez, Meraj Hashemizadeh, Simon Lacoste-Julien
Abstract: Cooper is an open-source package for solving constrained optimization problems involving deep learning models. Cooper implements several Lagrangian-based first-order update schemes, making it easy to combine constrained optimization algorithms with high-level features of PyTorch such as automatic differentiation, and specialized deep learning architectures and optimizers. Although Cooper is specifically designed for deep learning applications where gradients are estimated based on mini-batches, it is suitable for general non-convex continuous constrained optimization. Cooper's source code is available at https://github.com/cooper-org/cooper.
Authors: Piyush Nagasubramaniam (The Pennsylvania State University), Neeraj Karamchandani (The Pennsylvania State University), Chen Wu (Meta), Sencun Zhu (The Pennsylvania State University)
Abstract: State-of-the-art generative models exhibit powerful image-generation capabilities, introducing various ethical and legal challenges to service providers hosting these models. Consequently, Content Removal Techniques (CRTs) have emerged as a growing area of research to control outputs without full-scale retraining. Recent work has explored the use of Machine Unlearning in generative models to address content removal. However, the focus of such research has been on diffusion models, and unlearning in Generative Adversarial Networks (GANs) has remained largely unexplored. We address this gap by proposing Text-to-Unlearn, a novel framework that selectively unlearns concepts from pre-trained GANs using only text prompts, enabling feature unlearning, identity unlearning, and fine-grained tasks like expression and multi-attribute removal in models trained on human faces. Leveraging natural language descriptions, our approach guides the unlearning process without requiring additional datasets or supervised fine-tuning, offering a scalable and efficient solution. To evaluate its effectiveness, we introduce an automatic unlearning assessment method adapted from state-of-the-art image-text alignment metrics, providing a comprehensive analysis of the unlearning methodology. To our knowledge, Text-to-Unlearn is the first cross-modal unlearning framework for GANs, representing a flexible and efficient advancement in managing generative model behavior.
Authors: Grzegorz Rype\'s\'c
Abstract: Continual learning (CL) presents a fundamental challenge in training neural networks on sequential tasks without experiencing catastrophic forgetting. Traditionally, the dominant approach in CL has been gradient-based optimization, where updates to the network parameters are performed using stochastic gradient descent (SGD) or its variants. However, a major limitation arises when previous data is no longer accessible, as is often assumed in CL settings. In such cases, there is no gradient information available for past data, leading to uncontrolled parameter changes and consequently severe forgetting of previously learned tasks. By shifting focus from data availability to gradient availability, this work opens up new avenues for addressing forgetting in CL. We explore the hypothesis that gradient-free optimization methods can provide a robust alternative to conventional gradient-based continual learning approaches. We discuss the theoretical underpinnings of such method, analyze their potential advantages and limitations, and present empirical evidence supporting their effectiveness. By reconsidering the fundamental cause of forgetting, this work aims to contribute a fresh perspective to the field of continual learning and inspire novel research directions.
Authors: Israel Campero Jurado, Pieter Gijsbers, Joaquin Vanschoren
Abstract: Automated Machine Learning (AutoML) automatically builds machine learning (ML) models on data. The de facto standard for evaluating new AutoML frameworks for tabular data is the AutoML Benchmark (AMLB). AMLB proposed to evaluate AutoML frameworks using 1- and 4-hour time budgets across 104 tasks. We argue that shorter time constraints should be considered for the benchmark because of their practical value, such as when models need to be retrained with high frequency, and to make AMLB more accessible. This work considers two ways in which to reduce the overall computation used in the benchmark: smaller time constraints and the use of early stopping. We conduct evaluations of 11 AutoML frameworks on 104 tasks with different time constraints and find the relative ranking of AutoML frameworks is fairly consistent across time constraints, but that using early-stopping leads to a greater variety in model performance.
Authors: Ryan Franks, Alexey Miroshnikov
Abstract: We develop a novel optimization framework with distribution-based fairness constraints for efficiently producing demographically blind, explainable models across a wide range of fairness levels. This is accomplished through post-processing, avoiding the need for retraining. Our framework, which is based on stochastic gradient descent, can be applied to a wide range of model types, with a particular emphasis on the post-processing of gradient-boosted decision trees. Additionally, we design a broad class of interpretable global bias metrics compatible with our method by building on previous work. We empirically test our methodology on a variety of datasets and compare it to other methods.
Authors: Biswadeep Chakraborty, Hemant Kumawat, Beomseok Kang, Saibal Mukhopadhyay
Abstract: Modeling and predicting temporal point processes (TPPs) is critical in domains such as neuroscience, epidemiology, finance, and social sciences. We introduce the Spiking Dynamic Graph Network (SDGN), a novel framework that leverages the temporal processing capabilities of spiking neural networks (SNNs) and spike-timing-dependent plasticity (STDP) to dynamically estimate underlying spatio-temporal functional graphs. Unlike existing methods that rely on predefined or static graph structures, SDGN adapts to any dataset by learning dynamic spatio-temporal dependencies directly from the event data, enhancing generalizability and robustness. While SDGN offers significant improvements over prior methods, we acknowledge its limitations in handling dense graphs and certain non-Gaussian dependencies, providing opportunities for future refinement. Our evaluations, conducted on both synthetic and real-world datasets including NYC Taxi, 911, Reddit, and Stack Overflow, demonstrate that SDGN achieves superior predictive accuracy while maintaining computational efficiency. Furthermore, we include ablation studies to highlight the contributions of its core components.
Authors: Nicholas H. Barbara, Ruigang Wang, Ian R. Manchester
Abstract: This paper presents the Robust Recurrent Deep Network (R2DN), a scalable parameterization of robust recurrent neural networks for machine learning and data-driven control. We construct R2DNs as a feedback interconnection of a linear time-invariant system and a 1-Lipschitz deep feedforward network, and directly parameterize the weights so that our models are stable (contracting) and robust to small input perturbations (Lipschitz) by design. Our parameterization uses a structure similar to the previously-proposed recurrent equilibrium networks (RENs), but without the requirement to iteratively solve an equilibrium layer at each time-step. This speeds up model evaluation and backpropagation on GPUs, and makes it computationally feasible to scale up the network size, batch size, and input sequence length in comparison to RENs. We compare R2DNs to RENs on three representative problems in nonlinear system identification, observer design, and learning-based feedback control and find that training and inference are both up to an order of magnitude faster with similar test set performance, and that training/inference times scale more favorably with respect to model expressivity.
Authors: Biswadeep Chakraborty, Saibal Mukhopadhyay
Abstract: We propose \textbf{FLAMES (Fast Long-range Adaptive Memory for Event-based Systems)}, a novel hybrid framework integrating structured state-space dynamics with event-driven computation. At its core, the \textit{Spike-Aware HiPPO (SA-HiPPO) mechanism} dynamically adjusts memory retention based on inter-spike intervals, preserving both short- and long-range dependencies. To maintain computational efficiency, we introduce a normal-plus-low-rank (NPLR) decomposition, reducing complexity from $\mathcal{O}(N^2)$ to $\mathcal{O}(Nr)$. FLAMES achieves state-of-the-art results on the Long Range Arena benchmark and event datasets like HAR-DVS and Celex-HAR. By bridging neuromorphic computing and structured sequence modeling, FLAMES enables scalable long-range reasoning in event-driven systems.
Authors: Sakhinana Sagar Srinivas, Venkataramana Runkana
Abstract: We present a comprehensive framework for enhancing Retrieval-Augmented Generation (RAG) systems through dynamic retrieval strategies and reinforcement fine-tuning. This approach significantly improves large language models on knowledge-intensive tasks, including opendomain question answering and complex reasoning. Our framework integrates two complementary techniques: Policy-Optimized RetrievalAugmented Generation (PORAG), which optimizes the use of retrieved information, and Adaptive Token-Layer Attention Scoring (ATLAS), which dynamically determines retrieval timing and content based on contextual needs. Together, these techniques enhance both the utilization and relevance of retrieved content, improving factual accuracy and response quality. Designed as a lightweight solution compatible with any Transformer-based LLM without requiring additional training, our framework excels in knowledge-intensive tasks, boosting output accuracy in RAG settings. We further propose CRITIC, a novel method to selectively compress key-value caches by token importance, mitigating memory bottlenecks in long-context applications. The framework also incorporates test-time scaling techniques to dynamically balance reasoning depth and computational resources, alongside optimized decoding strategies for faster inference. Experiments on benchmark datasets show that our framework reduces hallucinations, strengthens domain-specific reasoning, and achieves significant efficiency and scalability gains over traditional RAG systems. This integrated approach advances the development of robust, efficient, and scalable RAG systems across diverse applications.
Authors: Jing Wang, Jun-En Ding, Feng Liu, Elisa Kallioniemi, Shuqiang Wang, Wen-Xiang Tsai, Albert C. Yang
Abstract: Alzheimer's Disease is a progressive neurological disorder that is one of the most common forms of dementia. It leads to a decline in memory, reasoning ability, and behavior, especially in older people. The cause of Alzheimer's Disease is still under exploration and there is no all-inclusive theory that can explain the pathologies in each individual patient. Nevertheless, early intervention has been found to be effective in managing symptoms and slowing down the disease's progression. Recent research has utilized electroencephalography (EEG) data to identify biomarkers that distinguish Alzheimer's Disease patients from healthy individuals. Prior studies have used various machine learning methods, including deep learning and graph neural networks, to examine electroencephalography-based signals for identifying Alzheimer's Disease patients. In our research, we proposed a Flexible and Explainable Gated Graph Convolutional Network (GGCN) with Multi-Objective Tree-Structured Parzen Estimator (MOTPE) hyperparameter tuning. This provides a flexible solution that efficiently identifies the optimal number of GGCN blocks to achieve the optimized precision, specificity, and recall outcomes, as well as the optimized area under the Receiver Operating Characteristic (AUC). Our findings demonstrated a high efficacy with an over 0.9 Receiver Operating Characteristic score, alongside precision, specificity, and recall scores in distinguishing health control with Alzheimer's Disease patients in Moderate to Severe Dementia using the power spectrum density (PSD) of electroencephalography signals across various frequency bands. Moreover, our research enhanced the interpretability of the embedded adjacency matrices, revealing connectivity differences in frontal and parietal brain regions between Alzheimer's patients and healthy individuals.
Authors: Mohan Zhang, Pingzhi Li, Jie Peng, Mufan Qiu, Tianlong Chen
Abstract: Mixture-of-Experts (MoE) has successfully scaled up models while maintaining nearly constant computing costs. By employing a gating network to route input tokens, it selectively activates a subset of expert networks to process the corresponding token embeddings. However, in practice, the efficiency of MoE is challenging to achieve due to two key reasons: imbalanced expert activation, which leads to substantial idle time during model or expert parallelism, and insufficient capacity utilization; massive communication overhead, induced by numerous expert routing combinations in expert parallelism at the system level. Previous works typically formulate it as the load imbalance issue characterized by the gating network favoring certain experts over others or attribute it to static execution which fails to adapt to the dynamic expert workload at runtime. In this paper, we exploit it from a brand new perspective, a higher-order view and analysis of MoE routing policies: expert collaboration and specialization where some experts tend to activate broadly with others (collaborative), while others are more likely to activate only with a specific subset of experts (specialized). Our experiments reveal that most experts tend to be overly collaborative, leading to increased communication overhead from repeatedly sending tokens to different accelerators. To this end, we propose a novel collaboration-constrained routing (C2R) strategy to encourage more specialized expert groups, as well as to improve expert utilization, and present an efficient implementation of MoE that further leverages expert specialization. We achieve an average performance improvement of 0.51% and 0.33% on LLaMA-MoE and Qwen-MoE respectively across ten downstream NLP benchmarks, and reduce the all2all communication costs between GPUs, bringing an extra 20%-30% total running time savings on top of the existing SoTA, i.e. MegaBlocks.
Authors: Khoa A. Tran, John V. Pearson, Nicola Waddell
Abstract: Motivation: Building and iterating machine learning models is often a resource-intensive process. In biomedical research, scientific codebases can lack scalability and are not easily transferable to work beyond what they were intended. xML-workFlow addresses this issue by providing a rapid, robust, and traceable end-to-end workflow that can be adapted to any ML project with minimal code rewriting. Results: We show a practical, end-to-end workflow that integrates scikit-learn, MLflow, and SHAP. This template significantly reduces the time and effort required to build and iterate on ML models, addressing the common challenges of scalability and reproducibility in biomedical research. Adapting our template may save bioinformaticians time in development and enables biomedical researchers to deploy ML projects. Availability and implementation: xML-workFlow is available at https://github.com/MedicalGenomicsLab/xML-workFlow.
Authors: Emadeldeen Eldele, Mohamed Ragab, Xu Qing, Edward, Zhenghua Chen, Min Wu, Xiaoli Li, Jay Lee
Abstract: Machine fault diagnosis (FD) is a critical task for predictive maintenance, enabling early fault detection and preventing unexpected failures. Despite its importance, existing FD models are operation-specific with limited generalization across diverse datasets. Foundation models (FM) have demonstrated remarkable potential in both visual and language domains, achieving impressive generalization capabilities even with minimal data through few-shot or zero-shot learning. However, translating these advances to FD presents unique hurdles. Unlike the large-scale, cohesive datasets available for images and text, FD datasets are typically smaller and more heterogeneous, with significant variations in sampling frequencies and the number of channels across different systems and applications. This heterogeneity complicates the design of a universal architecture capable of effectively processing such diverse data while maintaining robust feature extraction and learning capabilities. In this paper, we introduce UniFault, a foundation model for fault diagnosis that systematically addresses these issues. Specifically, the model incorporates a comprehensive data harmonization pipeline featuring two key innovations. First, a unification scheme transforms multivariate inputs into standardized univariate sequences while retaining local inter-channel relationships. Second, a novel cross-domain temporal fusion strategy mitigates distribution shifts and enriches sample diversity and count, improving the model generalization across varying conditions. UniFault is pretrained on over 9 billion data points spanning diverse FD datasets, enabling superior few-shot performance. Extensive experiments on real-world FD datasets demonstrate that UniFault achieves SoTA performance, setting a new benchmark for fault diagnosis models and paving the way for more scalable and robust predictive maintenance solutions.
Authors: Junyu Hou
Abstract: De novo molecular design has extensive applications in drug discovery and materials science. The vast chemical space renders direct molecular searches computationally prohibitive, while traditional experimental screening is both time- and labor-intensive. Efficient molecular generation and screening methods are therefore essential for accelerating drug discovery and reducing costs. Although reinforcement learning (RL) has been applied to optimize molecular properties via reward mechanisms, its practical utility is limited by issues in training efficiency, convergence, and stability. To address these challenges, we adopt Direct Preference Optimization (DPO) from NLP, which uses molecular score-based sample pairs to maximize the likelihood difference between high- and low-quality molecules, effectively guiding the model toward better compounds. Moreover, integrating curriculum learning further boosts training efficiency and accelerates convergence. A systematic evaluation of the proposed method on the GuacaMol Benchmark yielded excellent scores. For instance, the method achieved a score of 0.883 on the Perindopril MPO task, representing a 6\% improvement over competing models. And subsequent target protein binding experiments confirmed its practical efficacy. These results demonstrate the strong potential of DPO for molecular design tasks and highlight its effectiveness as a robust and efficient solution for data-driven drug discovery.
Authors: Kate\v{r}ina Hlav\'a\v{c}kov\'a-Schindler, Rainer W\"o\ss, Vera Pecorino, Philip Schindler
Abstract: Not much has been written about the role of triggers in the literature on causal reasoning, causal modeling, or philosophy. In this paper, we focus on describing triggers and causes in the metaphysical sense and on characterizations that differentiate them from each other. We carry out a philosophical analysis of these differences. From this, we formulate a definition that clearly differentiates triggers from causes and can be used for causal reasoning in natural sciences. We propose a mathematical model and the Cause-Trigger algorithm, which, based on given data to observable processes, is able to determine whether a process is a cause or a trigger of an effect. The possibility to distinguish triggers from causes directly from data makes the algorithm a useful tool in natural sciences using observational data, but also for real-world scenarios. For example, knowing the processes that trigger causes of a tropical storm could give politicians time to develop actions such as evacuation the population. Similarly, knowing the triggers of processes that cause global warming could help politicians focus on effective actions. We demonstrate our algorithm on the climatological data of two recent cyclones, Freddy and Zazu. The Cause-Trigger algorithm detects processes that trigger high wind speed in both storms during their cyclogenesis. The findings obtained agree with expert knowledge.
Authors: Bernhard C. Geiger, Roman Kern
Abstract: In this work, we investigate causal learning of independent causal mechanisms from a Bayesian perspective. Confirming previous claims from the literature, we show in a didactically accessible manner that unlabeled data (i.e., cause realizations) do not improve the estimation of the parameters defining the mechanism. Furthermore, we observe the importance of choosing an appropriate prior for the cause and mechanism parameters, respectively. Specifically, we show that a factorized prior results in a factorized posterior, which resonates with Janzing and Sch\"olkopf's definition of independent causal mechanisms via the Kolmogorov complexity of the involved distributions and with the concept of parameter independence of Heckerman et al.
Authors: Zhongshuo Lin, Qingkui Ma, Hehu Xie, Xiaobo Yin
Abstract: In this paper, we propose a novel machine learning method based on adaptive tensor neural network subspace to solve linear time-fractional diffusion-wave equations and nonlinear time-fractional partial integro-differential equations. In this framework, the tensor neural network and Gauss-Jacobi quadrature are effectively combined to construct a universal numerical scheme for the temporal Caputo derivative with orders spanning $ (0,1)$ and $(1,2)$. Specifically, in order to effectively utilize Gauss-Jacobi quadrature to discretize Caputo derivatives, we design the tensor neural network function multiplied by the function $t^{\mu}$ where the power $\mu$ is selected according to the parameters of the equations at hand. Finally, some numerical examples are provided to validate the efficiency and accuracy of the proposed tensor neural network-based machine learning method.
Authors: Runlong Zhou, Yi Zhang
Abstract: Language models often struggle with cross-mode knowledge retrieval -- the ability to access knowledge learned in one format (mode) when queried in another. We demonstrate that models trained on multiple data sources (e.g., Wikipedia and TinyStories) exhibit significantly reduced accuracy when retrieving knowledge in a format different from its original training mode. This paper quantitatively investigates this phenomenon through a controlled study of random token sequence memorization across different modes. We first explore dataset rewriting as a solution, revealing that effective cross-mode retrieval requires prohibitively extensive rewriting efforts that follow a sigmoid-like relationship. As an alternative, we propose CASCADE, a novel pretraining algorithm that uses cascading datasets with varying sequence lengths to capture knowledge at different scales. Our experiments demonstrate that CASCADE outperforms dataset rewriting approaches, even when compressed into a single model with a unified loss function. This work provides both qualitative evidence of cross-mode retrieval limitations and a practical solution to enhance language models' ability to access knowledge independently of its presentational format.
Authors: Llewyn Salt, Marcus Gallagher
Abstract: Reinforcement learning (RL) -- algorithms that teach artificial agents to interact with environments by maximising reward signals -- has achieved significant success in recent years. These successes have been facilitated by advances in algorithms (e.g., deep Q-learning, deep deterministic policy gradients, proximal policy optimisation, trust region policy optimisation, and soft actor-critic) and specialised computational resources such as GPUs and TPUs. One promising research direction involves introducing goals to allow multimodal policies, commonly through hierarchical or curriculum reinforcement learning. These methods systematically decompose complex behaviours into simpler sub-tasks, analogous to how humans progressively learn skills (e.g. we learn to run before we walk, or we learn arithmetic before calculus). However, fully automating goal creation remains an open challenge. We present a novel probabilistic curriculum learning algorithm to suggest goals for reinforcement learning agents in continuous control and navigation tasks.
Authors: Akira Hatakeyama, Shota Ito, Toshihiko Yanase, Naoya Ozaki
Abstract: Two-point boundary value problems for cislunar trajectories present significant challenges in circler restricted three body problem, making traditional analytical methods like Lambert's problem inapplicable. This study proposes a novel approach using a prefixed patch time series Transformer model that automates the solution of two-point boundary value problems from lunar flyby to arbitrary terminal conditions. Using prefix tokens of terminal conditions in our deep generative model enables solving boundary value problems in three-body dynamics. The training dataset consists of trajectories obtained through forward propagation rather than solving boundary value problems directly. The model demonstrates potential practical utility for preliminary trajectory design in cislunar mission scenarios.
Authors: Qihao Ye, Xiaochuan Tian, Yuhua Zhu
Abstract: This paper develops a model-based framework for continuous-time policy evaluation (CTPE) in reinforcement learning, incorporating both Brownian and L\'evy noise to model stochastic dynamics influenced by rare and extreme events. Our approach formulates the policy evaluation problem as solving a partial integro-differential equation (PIDE) for the value function with unknown coefficients. A key challenge in this setting is accurately recovering the unknown coefficients in the stochastic dynamics, particularly when driven by L\'evy processes with heavy tail effects. To address this, we propose a robust numerical approach that effectively handles both unbiased and censored trajectory datasets. This method combines maximum likelihood estimation with an iterative tail correction mechanism, improving the stability and accuracy of coefficient recovery. Additionally, we establish a theoretical bound for the policy evaluation error based on coefficient recovery error. Through numerical experiments, we demonstrate the effectiveness and robustness of our method in recovering heavy-tailed L\'evy dynamics and verify the theoretical error analysis in policy evaluation.
Authors: Tijana Milentijevi\'c, M\'elanie Cambus, Darya Melnyk, Stefan Schmid
Abstract: In Byzantine collaborative learning, $n$ clients in a peer-to-peer network collectively learn a model without sharing their data by exchanging and aggregating stochastic gradient estimates. Byzantine clients can prevent others from collecting identical sets of gradient estimates. The aggregation step thus needs to be combined with an efficient (approximate) agreement subroutine to ensure convergence of the training process. In this work, we study the geometric median aggregation rule for Byzantine collaborative learning. We show that known approaches do not provide theoretical guarantees on convergence or gradient quality in the agreement subroutine. To satisfy these theoretical guarantees, we present a hyperbox algorithm for geometric median aggregation. We practically evaluate our algorithm in both centralized and decentralized settings under Byzantine attacks on non-i.i.d. data. We show that our geometric median-based approaches can tolerate sign-flip attacks better than known mean-based approaches from the literature.
Authors: Yongjun He, Roger Waleffe, Zhichao Han, Johnu George, Binhang Yuan, Zitao Zhang, Yinan Shan, Yang Zhao, Debojyoti Dutta, Theodoros Rekatsinas, Ce Zhang
Abstract: Many modern machine learning (ML) methods rely on embedding models to learn vector representations (embeddings) for a set of entities (embedding tables). As increasingly diverse ML applications utilize embedding models and embedding tables continue to grow in size and number, there has been a surge in the ad-hoc development of specialized frameworks targeted to train large embedding models for specific tasks. Although the scalability issues that arise in different embedding model training tasks are similar, each of these frameworks independently reinvents and customizes storage components for specific tasks, leading to substantial duplicated engineering efforts in both development and deployment. This paper presents MLKV, an efficient, extensible, and reusable data storage framework designed to address the scalability challenges in embedding model training, specifically data stall and staleness. MLKV augments disk-based key-value storage by democratizing optimizations that were previously exclusive to individual specialized frameworks and provides easy-to-use interfaces for embedding model training tasks. Extensive experiments on open-source workloads, as well as applications in eBay's payment transaction risk detection and seller payment risk detection, show that MLKV outperforms offloading strategies built on top of industrial-strength key-value stores by 1.6-12.6x. MLKV is open-source at https://github.com/llm-db/MLKV.
Authors: Pu Wang, Yu Zhang, Zhuoran Zheng
Abstract: Label Distribution Learning (LDL) aims to characterize the polysemy of an instance by building a set of descriptive degrees corresponding to the instance. In recent years, researchers seek to model to obtain an accurate label distribution by using low-rank, label relations, expert experiences, and label uncertainty estimation. In general, these methods are based on algorithms with parameter learning in a linear (including kernel functions) or deep learning framework. However, these methods are difficult to deploy and update online due to high training costs, limited scalability, and outlier sensitivity. To address this problem, we design a novel LDL method called UAKNN, which has the advantages of the KNN algorithm with the benefits of uncertainty modeling. In addition, we provide solutions to the dilemma of existing work on extremely label distribution spaces. Extensive experiments demonstrate that our method is significantly competitive on 12 benchmarks and that the inference speed of the model is well-suited for industrial-level applications.
Authors: Jincheng Zhong, Xiangcheng Zhang, Jianmin Wang, Mingsheng Long
Abstract: Recent advancements in diffusion models have revolutionized generative modeling. However, the impressive and vivid outputs they produce often come at the cost of significant model scaling and increased computational demands. Consequently, building personalized diffusion models based on off-the-shelf models has emerged as an appealing alternative. In this paper, we introduce a novel perspective on conditional generation for transferring a pre-trained model. From this viewpoint, we propose *Domain Guidance*, a straightforward transfer approach that leverages pre-trained knowledge to guide the sampling process toward the target domain. Domain Guidance shares a formulation similar to advanced classifier-free guidance, facilitating better domain alignment and higher-quality generations. We provide both empirical and theoretical analyses of the mechanisms behind Domain Guidance. Our experimental results demonstrate its substantial effectiveness across various transfer benchmarks, achieving over a 19.6% improvement in FID and a 23.4% improvement in FD$_\text{DINOv2}$ compared to standard fine-tuning. Notably, existing fine-tuned models can seamlessly integrate Domain Guidance to leverage these benefits, without additional training.
Authors: Xiaobei Zou, Luolin Xiong, Kexuan Zhang, Cesare Alippi, Yang Tang
Abstract: Accurate predictions of spatio-temporal systems' states are crucial for tasks such as system management, control, and crisis prevention. However, the inherent time variance of spatio-temporal systems poses challenges to achieving accurate predictions whenever stationarity is not granted. To address non-stationarity frameworks, we propose a Distribution and Relation Adaptive Network (DRAN) capable of dynamically adapting to relation and distribution changes over time. While temporal normalization and de-normalization are frequently used techniques to adapt to distribution shifts, this operation is not suitable for the spatio-temporal context as temporal normalization scales the time series of nodes and possibly disrupts the spatial relations among nodes. In order to address this problem, we develop a Spatial Factor Learner (SFL) module that enables the normalization and de-normalization process in spatio-temporal systems. To adapt to dynamic changes in spatial relationships among sensors, we propose a Dynamic-Static Fusion Learner (DSFL) module that effectively integrates features learned from both dynamic and static relations through an adaptive fusion ratio mechanism. Furthermore, we introduce a Stochastic Learner to capture the noisy components of spatio-temporal representations. Our approach outperforms state of the art methods in weather prediction and traffic flows forecasting tasks. Experimental results show that our SFL efficiently preserves spatial relationships across various temporal normalization operations. Visualizations of the learned dynamic and static relations demonstrate that DSFL can capture both local and distant relationships between nodes. Moreover, ablation studies confirm the effectiveness of each component.
Authors: Ashkan Yousefpour, Taeheon Kim, Ryan S. Kwon, Seungbeen Lee, Wonje Jeung, Seungju Han, Alvin Wan, Harrison Ngan, Youngjae Yu, Jonghyun Choi
Abstract: Large Language Models (LLMs) have emerged as powerful tools, but their inherent safety risks - ranging from harmful content generation to broader societal harms - pose significant challenges. These risks can be amplified by the recent adversarial attacks, fine-tuning vulnerabilities, and the increasing deployment of LLMs in high-stakes environments. Existing safety-enhancing techniques, such as fine-tuning with human feedback or adversarial training, are still vulnerable as they address specific threats and often fail to generalize across unseen attacks, or require manual system-level defenses. This paper introduces RepBend, a novel approach that fundamentally disrupts the representations underlying harmful behaviors in LLMs, offering a scalable solution to enhance (potentially inherent) safety. RepBend brings the idea of activation steering - simple vector arithmetic for steering model's behavior during inference - to loss-based fine-tuning. Through extensive evaluation, RepBend achieves state-of-the-art performance, outperforming prior methods such as Circuit Breaker, RMU, and NPO, with up to 95% reduction in attack success rates across diverse jailbreak benchmarks, all with negligible reduction in model usability and general capabilities.
Authors: Renda Han, Guangzhen Yao, Wenxin Zhang, Yu Li, Wen Xin, Huajie Lei, Mengfei Li, Zeyu Zhang, Chengze Du, Yahe Tian
Abstract: Graph-level clustering is a fundamental task of data mining, aiming at dividing unlabeled graphs into distinct groups. However, existing deep methods that are limited by pooling have difficulty extracting diverse and complex graph structure features, while traditional graph kernel methods rely on exhaustive substructure search, unable to adaptive handle multi-relational data. This limitation hampers producing robust and representative graph-level embeddings. To address this issue, we propose a novel Multi-Relation Graph-Kernel Strengthen Network for Graph-Level Clustering (MGSN), which integrates multi-relation modeling with graph kernel techniques to fully leverage their respective advantages. Specifically, MGSN constructs multi-relation graphs to capture diverse semantic relationships between nodes and graphs, which employ graph kernel methods to extract graph similarity features, enriching the representation space. Moreover, a relation-aware representation refinement strategy is designed, which adaptively aligns multi-relation information across views while enhancing graph-level features through a progressive fusion process. Extensive experiments on multiple benchmark datasets demonstrate the superiority of MGSN over state-of-the-art methods. The results highlight its ability to leverage multi-relation structures and graph kernel features, establishing a new paradigm for robust graph-level clustering.
Authors: Yuanming Shi, Jingyang Zhu, Chunxiao Jiang, Linling Kuang, Khaled B. Letaief
Abstract: Driven by the growing demand for intelligent remote sensing applications, large artificial intelligence (AI) models pre-trained on large-scale unlabeled datasets and fine-tuned for downstream tasks have significantly improved learning performance for various downstream tasks due to their generalization capabilities. However, many specific downstream tasks, such as extreme weather nowcasting (e.g., downburst and tornado), disaster monitoring, and battlefield surveillance, require real-time data processing. Traditional methods via transferring raw data to ground stations for processing often cause significant issues in terms of latency and trustworthiness. To address these challenges, satellite edge AI provides a paradigm shift from ground-based to on-board data processing by leveraging the integrated communication-and-computation capabilities in space computing power networks (Space-CPN), thereby enhancing the timeliness, effectiveness, and trustworthiness for remote sensing downstream tasks. Moreover, satellite edge large AI model (LAM) involves both the training (i.e., fine-tuning) and inference phases, where a key challenge lies in developing computation task decomposition principles to support scalable LAM deployment in resource-constrained space networks with time-varying topologies. In this article, we first propose a satellite federated fine-tuning architecture to split and deploy the modules of LAM over space and ground networks for efficient LAM fine-tuning. We then introduce a microservice-empowered satellite edge LAM inference architecture that virtualizes LAM components into lightweight microservices tailored for multi-task multimodal inference. Finally, we discuss the future directions for enhancing the efficiency and scalability of satellite edge LAM, including task-oriented communication, brain-inspired computing, and satellite edge AI network optimization.
Authors: Md Mahabub Uz Zaman, Xiang Sun, Jingjing Yao
Abstract: The Internet of Drones (IoD), where drones collaborate in data collection and analysis, has become essential for applications such as surveillance and environmental monitoring. Federated learning (FL) enables drones to train machine learning models in a decentralized manner while preserving data privacy. However, FL in IoD networks is susceptible to attacks like data poisoning and model inversion. Federated unlearning (FU) mitigates these risks by eliminating adversarial data contributions, preventing their influence on the model. This paper proposes sky of unlearning (SoUL), a federated unlearning framework that efficiently removes the influence of unlearned data while maintaining model performance. A selective pruning algorithm is designed to identify and remove neurons influential in unlearning but minimally impact the overall performance of the model. Simulations demonstrate that SoUL outperforms existing unlearning methods, achieves accuracy comparable to full retraining, and reduces computation and communication overhead, making it a scalable and efficient solution for resource-constrained IoD networks.
Authors: Ke Jiang, Wen Jiang, Yao Li, Xiaoyang Tan
Abstract: We address the challenge of offline reinforcement learning using realistic data, specifically non-expert data collected through sub-optimal behavior policies. Under such circumstance, the learned policy must be safe enough to manage \textit{distribution shift} while maintaining sufficient flexibility to deal with non-expert (bad) demonstrations from offline data.To tackle this issue, we introduce a novel method called Outcome-Driven Action Flexibility (ODAF), which seeks to reduce reliance on the empirical action distribution of the behavior policy, hence reducing the negative impact of those bad demonstrations.To be specific, a new conservative reward mechanism is developed to deal with {\it distribution shift} by evaluating actions according to whether their outcomes meet safety requirements - remaining within the state support area, rather than solely depending on the actions' likelihood based on offline data.Besides theoretical justification, we provide empirical evidence on widely used MuJoCo and various maze benchmarks, demonstrating that our ODAF method, implemented using uncertainty quantification techniques, effectively tolerates unseen transitions for improved "trajectory stitching," while enhancing the agent's ability to learn from realistic non-expert data.
Authors: Tiantian Liu, Weishi Xu, Meng Wan, Jue Wang
Abstract: In the early stage of deep neural network training, the loss decreases rapidly before gradually leveling off. Extensive research has shown that during this stage, the model parameters undergo significant changes and their distribution is largely established. Existing studies suggest that the introduction of noise during early training can degrade model performance. We identify a critical "enlightenment period" encompassing up to the first 4% of the training cycle (1--20 epochs for 500-epoch training schedules), a phase characterized by intense parameter fluctuations and heightened noise sensitivity. Our findings reveal that strategically reducing noise during this brief phase--by disabling data augmentation techniques such as Mixup or removing high-loss samples--leads to statistically significant improvements in model performance. This work opens new avenues for exploring the relationship between the enlightenment period and network training dynamics across diverse model architectures and tasks.
Authors: Neville K. Kitson, Anthony C. Constantinou
Abstract: Many Bayesian Network structure learning algorithms are unstable, with the learned graph sensitive to arbitrary dataset artifacts, such as the ordering of columns (i.e., variable order). PC-Stable attempts to address this issue for the widely-used PC algorithm, prompting researchers to use the "stable" version instead. However, this problem seems to have been overlooked for score-based algorithms. In this study, we show that some widely-used score-based algorithms, as well as hybrid and constraint-based algorithms, including PC-Stable, suffer from the same issue. We propose a novel solution for score-based greedy hill-climbing that eliminates instability by determining a stable node order, leading to consistent results regardless of variable ordering. Two implementations, HC-Stable and Tabu-Stable, are introduced. Tabu-Stable achieves the highest BIC scores across all networks, and the highest accuracy for categorical networks. These results highlight the importance of addressing instability in structure learning and provide a robust and practical approach for future applications. This extends the scope and impact of our previous work presented at Probabilistic Graphical Models 2024 by incorporating continuous variables. The implementation, along with usage instructions, is freely available on GitHub at https://github.com/causal-iq/discovery.
Authors: Vu Viet Hoang, Hung The Tran, Sunil Gupta, Vu Nguyen
Abstract: Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale to high-dimensional problems. Existing work has adopted a variable selection strategy to select and optimize only a subset of variables iteratively. Although this approach can mitigate the high-dimensional challenge in BO, it still leads to sample inefficiency. To address this issue, we introduce a novel method that identifies important variables by estimating the length scales of Gaussian process kernels. Next, we construct an effective search region consisting of multiple subspaces and optimize the acquisition function within this region, focusing on only the important variables. We demonstrate that our proposed method achieves cumulative regret with a sublinear growth rate in the worst case while maintaining computational efficiency. Experiments on high-dimensional synthetic functions and real-world problems show that our method achieves state-of-the-art performance.
Authors: Jinhao Ouyang, Yuan Liu, Hang Liu
Abstract: Federated learning (FL) enables distributed devices to train a shared machine learning (ML) model collaboratively while protecting their data privacy. However, the resource-limited mobile devices suffer from intensive computation-and-communication costs of model parameters. In this paper, we observe the phenomenon that the model parameters tend to be stabilized long before convergence during training process. Based on this observation, we propose a two-timescale FL framework by joint optimization of freezing stabilized parameters and controlling transmit power for the unstable parameters to balance the energy consumption and convergence. First, we analyze the impact of model parameter freezing and unreliable transmission on the convergence rate. Next, we formulate a two-timescale optimization problem of parameter freezing percentage and transmit power to minimize the model convergence error subject to the energy budget. To solve this problem, we decompose it into parallel sub-problems and decompose each sub-problem into two different timescales problems using the Lyapunov optimization method. The optimal parameter freezing and power control strategies are derived in an online fashion. Experimental results demonstrate the superiority of the proposed scheme compared with the benchmark schemes.
Authors: Arik Ermshaus, Patrick Sch\"afer, Ulf Leser
Abstract: The ever-growing amount of sensor data from machines, smart devices, and the environment leads to an abundance of high-resolution, unannotated time series (TS). These recordings encode the recognizable properties of latent states and transitions from physical phenomena that can be modelled as abstract processes. The unsupervised localization and identification of these states and their transitions is the task of time series state detection (TSSD). We introduce CLaP, a new, highly accurate and efficient algorithm for TSSD. It leverages the predictive power of time series classification for TSSD in an unsupervised setting by applying novel self-supervision techniques to detect whether data segments emerge from the same state or not. To this end, CLaP cross-validates a classifier with segment-labelled subsequences to quantify confusion between segments. It merges labels from segments with high confusion, representing the same latent state, if this leads to an increase in overall classification quality. We conducted an experimental evaluation using 391 TS from four benchmarks and found CLaP to be significantly more precise in detecting states than five state-of-the-art competitors. It achieves the best accuracy-runtime tradeoff and is scalable to large TS. We provide a Python implementation of CLaP, which can be deployed in TS analysis workflows.
Authors: Jay Lee, Hanqi Su
Abstract: Recent advancement in industrial artificial intelligence (AI) is reshaping the industry, driving smarter manufacturing, predictive maintenance, and intelligent decision-making. However, existing approaches often focus primarily on algorithms and models, overlooking the importance of systematically integrating domain knowledge, data, and models to ensure more comprehensive and effective AI solutions. Therefore, the effective development and deployment of Industrial AI solutions require a more comprehensive and systematic approach. To address this gap, this paper summarizes previous research and rethinks the role of industrial AI and presents a unified industrial AI foundation framework comprising three core modules: knowledge module, data module, and model module. These modules help to extend and enhance the industrial AI methodology platform, supporting various industrial applications. In addition, a case study on rotating machinery diagnosis demonstrates the framework's effectiveness, and several future directions are highlighted for the development of the industrial AI foundation framework.
Authors: Zsigmond Benk\H{o}, Marcell Stippinger, Zolt\'an Somogyv\'ari
Abstract: We are introducing a novel approach to infer the underlying dynamics of hidden common drivers, based on analyzing time series data from two driven dynamical systems. The inference relies on time-delay embedding, estimation of the intrinsic dimension of the observed systems, and their mutual dimension. A key component of our approach is a new anisotropic training technique applied to Kohonen's self-organizing map, which effectively learns the attractor of the driven system and separates it into submanifolds corresponding to the self-dynamics and shared dynamics. To demonstrate the effectiveness of our method, we conducted simulated experiments using different chaotic maps in a setup, where two chaotic maps were driven by a third map with nonlinear coupling. The inferred time series exhibited high correlation with the time series of the actual hidden common driver, in contrast to the observed systems. The quality of our reconstruction were compared and shown to be superior to several other methods that are intended to find the common features behind the observed time series, including linear methods like PCA and ICA as well as nonlinear methods like dynamical component analysis, canonical correlation analysis and even deep canonical correlation analysis.
Authors: Martin Jullum, Lars Henry Berge Olsen, Jon Lachmann, Annabelle Redelmeier
Abstract: This paper introduces the shapr package, a versatile tool for generating Shapley value explanations for machine learning and statistical regression models in both R and Python. The package emphasizes conditional Shapley value estimates, providing a comprehensive range of approaches for accurately capturing feature dependencies, which is crucial for correct model interpretation and lacking in similar software. In addition to regular tabular data, the shapr R-package includes specialized functionality for explaining time series forecasts. The package offers a minimal set of user functions with sensible defaults for most use cases while providing extensive flexibility for advanced users to fine-tune computations. Additional features include parallelized computations, iterative estimation with convergence detection, and rich visualization tools. shapr also extends its functionality to compute causal and asymmetric Shapley values when causal information is available. In addition, we introduce the shaprpy Python library, which brings core capabilities of shapr to the Python ecosystem. Overall, the package aims to enhance the interpretability of predictive models within a powerful and user-friendly framework.
Authors: Jinyoung Choi, Junoh Kang, Bohyung Han
Abstract: Diffusion probabilistic models (DPMs), while effective in generating high-quality samples, often suffer from high computational costs due to their iterative sampling process. To address this, we propose an enhanced ODE-based sampling method for DPMs inspired by Richardson extrapolation, which reduces numerical error and improves convergence rates. Our method, RX-DPM, leverages multiple ODE solutions at intermediate time steps to extrapolate the denoised prediction in DPMs. This significantly enhances the accuracy of estimations for the final sample while maintaining the number of function evaluations (NFEs). Unlike standard Richardson extrapolation, which assumes uniform discretization of the time grid, we develop a more general formulation tailored to arbitrary time step scheduling, guided by local truncation error derived from a baseline sampling method. The simplicity of our approach facilitates accurate estimation of numerical solutions without significant computational overhead, and allows for seamless and convenient integration into various DPMs and solvers. Additionally, RX-DPM provides explicit error estimates, effectively demonstrating the faster convergence as the leading error term's order increases. Through a series of experiments, we show that the proposed method improves the quality of generated samples without requiring additional sampling iterations.
Authors: Thomas Bush, Stephen Chung, Usman Anwar, Adri\`a Garriga-Alonso, David Krueger
Abstract: We present the first mechanistic evidence that model-free reinforcement learning agents can learn to plan. This is achieved by applying a methodology based on concept-based interpretability to a model-free agent in Sokoban -- a commonly used benchmark for studying planning. Specifically, we demonstrate that DRC, a generic model-free agent introduced by Guez et al. (2019), uses learned concept representations to internally formulate plans that both predict the long-term effects of actions on the environment and influence action selection. Our methodology involves: (1) probing for planning-relevant concepts, (2) investigating plan formation within the agent's representations, and (3) verifying that discovered plans (in the agent's representations) have a causal effect on the agent's behavior through interventions. We also show that the emergence of these plans coincides with the emergence of a planning-like property: the ability to benefit from additional test-time compute. Finally, we perform a qualitative analysis of the planning algorithm learned by the agent and discover a strong resemblance to parallelized bidirectional search. Our findings advance understanding of the internal mechanisms underlying planning behavior in agents, which is important given the recent trend of emergent planning and reasoning capabilities in LLMs through RL
Authors: Ben Keslaki
Abstract: Stochastic Gradient Descent (SGD) and its variants, such as ADAM, are foundational to deep learning optimization, adjusting model parameters using fixed or adaptive learning rates based on loss function gradients. However, these methods often face challenges in balancing adaptability and efficiency in non-convex, high-dimensional settings. This paper introduces AYLA, a novel optimization technique that enhances training dynamics through loss function transformations. By applying a tunable power-law transformation, AYLA preserves critical points while scaling loss values to amplify gradient sensitivity, accelerating convergence. We further propose a dynamic (effective) learning rate that adapts to the transformed loss, improving optimization efficiency. Empirical tests on finding minimum of a synthetic non-convex polynomial, a non-convex curve-fitting dataset, and digit classification (MNIST) demonstrate that AYLA surpasses SGD and ADAM in convergence speed and stability. This approach redefines the loss landscape for better optimization outcomes, offering a promising advancement for deep neural networks and can be applied to any optimization method and potentially improve the performance of it.
Authors: Diego Cajaraville-Aboy, Marta Moure-Garrido, Carlos Beis-Penedo, Carlos Garcia-Rubio, Rebeca P. D\'iaz-Redondo, Celeste Campo, Ana Fern\'andez-Vilas, Manuel Fern\'andez-Veiga
Abstract: The use of DNS over HTTPS (DoH) tunneling by an attacker to hide malicious activity within encrypted DNS traffic poses a serious threat to network security, as it allows malicious actors to bypass traditional monitoring and intrusion detection systems while evading detection by conventional traffic analysis techniques. Machine Learning (ML) techniques can be used to detect DoH tunnels; however, their effectiveness relies on large datasets containing both benign and malicious traffic. Sharing such datasets across entities is challenging due to privacy concerns. In this work, we propose CO-DEFEND (Continuous Decentralized Federated Learning for Secure DoH-Based Threat Detection), a Decentralized Federated Learning (DFL) framework that enables multiple entities to collaboratively train a classification machine learning model while preserving data privacy and enhancing resilience against single points of failure. The proposed DFL framework, which is scalable and privacy-preserving, is based on a federation process that allows multiple entities to train online their local models using incoming DoH flows in real time as they are processed by the entity. In addition, we adapt four classical machine learning algorithms, Support Vector Machines (SVM), Logistic Regression (LR), Decision Trees (DT), and Random Forest (RF), for federated scenarios, comparing their results with more computationally complex alternatives such as neural networks. We compare our proposed method by using the dataset CIRA-CIC-DoHBrw-2020 with existing machine learning approaches to demonstrate its effectiveness in detecting malicious DoH tunnels and the benefits it brings.
Authors: Caroline Tatsuoka, Minglei Yang, Dongbin Xiu, Guannan Zhang
Abstract: We present a multi-fidelity method for uncertainty quantification of parameter estimates in complex systems, leveraging generative models trained to sample the target conditional distribution. In the Bayesian inference setting, traditional parameter estimation methods rely on repeated simulations of potentially expensive forward models to determine the posterior distribution of the parameter values, which may result in computationally intractable workflows. Furthermore, methods such as Markov Chain Monte Carlo (MCMC) necessitate rerunning the entire algorithm for each new data observation, further increasing the computational burden. Hence, we propose a novel method for efficiently obtaining posterior distributions of parameter estimates for high-fidelity models given data observations of interest. The method first constructs a low-fidelity, conditional generative model capable of amortized Bayesian inference and hence rapid posterior density approximation over a wide-range of data observations. When higher accuracy is needed for a specific data observation, the method employs adaptive refinement of the density approximation. It uses outputs from the low-fidelity generative model to refine the parameter sampling space, ensuring efficient use of the computationally expensive high-fidelity solver. Subsequently, a high-fidelity, unconditional generative model is trained to achieve greater accuracy in the target posterior distribution. Both low- and high- fidelity generative models enable efficient sampling from the target posterior and do not require repeated simulation of the high-fidelity forward model. We demonstrate the effectiveness of the proposed method on several numerical examples, including cases with multi-modal densities, as well as an application in plasma physics for a runaway electron simulation model.
Authors: Robert M. Gower, Guillaume Garrigos, Nicolas Loizou, Dimitris Oikonomou, Konstantin Mishchenko, Fabian Schaipp
Abstract: We provide a general convergence theorem of an idealized stochastic Polyak step size called SPS$^*$. Besides convexity, we only assume a local expected gradient bound, that includes locally smooth and locally Lipschitz losses as special cases. We refer to SPS$^*$ as idealized because it requires access to the loss for every training batch evaluated at a solution. It is also ideal, in that it achieves the optimal lower bound for globally Lipschitz function, and is the first Polyak step size to have an $O(1/\sqrt{t})$ anytime convergence in the smooth setting. We show how to combine SPS$^*$ with momentum to achieve the same favorable rates for the last iterate. We conclude with several experiments to validate our theory, and a more practical setting showing how we can distill a teacher GPT-2 model into a smaller student model without any hyperparameter tuning.
Authors: Furkan \c{C}olhak, Hasan Co\c{s}kun, Tsafac Nkombong Regine Cyrille, Tedi Hoxa, Mert \.Ilhan Ecevit, Mehmet Nafiz Ayd{\i}n
Abstract: The Internet of Vehicles (IoV) may face challenging cybersecurity attacks that may require sophisticated intrusion detection systems, necessitating a rapid development and response system. This research investigates the performance advantages of GPU-accelerated libraries (cuML) compared to traditional CPU-based implementations (scikit-learn), focusing on the speed and efficiency required for machine learning models used in IoV threat detection environments. The comprehensive evaluations conducted employ four machine learning approaches (Random Forest, KNN, Logistic Regression, XGBoost) across three distinct IoV security datasets (OTIDS, GIDS, CICIoV2024). Our findings demonstrate that GPU-accelerated implementations dramatically improved computational efficiency, with training times reduced by a factor of up to 159 and prediction speeds accelerated by up to 95 times compared to traditional CPU processing, all while preserving detection accuracy. This remarkable performance breakthrough empowers researchers and security specialists to harness GPU acceleration for creating faster, more effective threat detection systems that meet the urgent real-time security demands of today's connected vehicle networks.
Authors: Andrey Sidorenko, Michael Platzer, Mario Scriminaci, Paul Tiwald
Abstract: Evaluating the quality of synthetic data remains a key challenge for ensuring privacy and utility in data-driven research. In this work, we present an evaluation framework that quantifies how well synthetic data replicates original distributional properties while ensuring privacy. The proposed approach employs a holdout-based benchmarking strategy that facilitates quantitative assessment through low- and high-dimensional distribution comparisons, embedding-based similarity measures, and nearest-neighbor distance metrics. The framework supports various data types and structures, including sequential and contextual information, and enables interpretable quality diagnostics through a set of standardized metrics. These contributions aim to support reproducibility and methodological consistency in benchmarking of synthetic data generation techniques. The code of the framework is available at https://github.com/mostly-ai/mostlyai-qa.
Authors: Harsh Vardhan, Xiaofan Yu, Tajana Rosing, Arya Mazumdar
Abstract: Federated learning (FL) is a distributed machine learning paradigm where multiple clients conduct local training based on their private data, then the updated models are sent to a central server for global aggregation. The practical convergence of FL is challenged by multiple factors, with the primary hurdle being the heterogeneity among clients. This heterogeneity manifests as data heterogeneity concerning local data distribution and latency heterogeneity during model transmission to the server. While prior research has introduced various efficient client selection methods to alleviate the negative impacts of either of these heterogeneities individually, efficient methods to handle real-world settings where both these heterogeneities exist simultaneously do not exist. In this paper, we propose two novel theoretically optimal client selection schemes that can handle both these heterogeneities. Our methods involve solving simple optimization problems every round obtained by minimizing the theoretical runtime to convergence. Empirical evaluations on 9 datasets with non-iid data distributions, 2 practical delay distributions, and non-convex neural network models demonstrate that our algorithms are at least competitive to and at most 20 times better than best existing baselines.
Authors: Yinuo Ren, Grant M. Rotskoff, Lexing Ying
Abstract: Probabilistic generative models based on measure transport, such as diffusion and flow-based models, are often formulated in the language of Markovian stochastic dynamics, where the choice of the underlying process impacts both algorithmic design choices and theoretical analysis. In this paper, we aim to establish a rigorous mathematical foundation for denoising Markov models, a broad class of generative models that postulate a forward process transitioning from the target distribution to a simple, easy-to-sample distribution, alongside a backward process particularly constructed to enable efficient sampling in the reverse direction. Leveraging deep connections with nonequilibrium statistical mechanics and generalized Doob's $h$-transform, we propose a minimal set of assumptions that ensure: (1) explicit construction of the backward generator, (2) a unified variational objective directly minimizing the measure transport discrepancy, and (3) adaptations of the classical score-matching approach across diverse dynamics. Our framework unifies existing formulations of continuous and discrete diffusion models, identifies the most general form of denoising Markov models under certain regularity assumptions on forward generators, and provides a systematic recipe for designing denoising Markov models driven by arbitrary L\'evy-type processes. We illustrate the versatility and practical effectiveness of our approach through novel denoising Markov models employing geometric Brownian motion and jump processes as forward dynamics, highlighting the framework's potential flexibility and capability in modeling complex distributions.
Authors: Daniel Becking, Ingo Friese, Karsten M\"uller, Thomas Buchholz, Mandy Galkow-Schneider, Wojciech Samek, Detlev Marpe
Abstract: In telecommunications, Autonomous Networks (ANs) automatically adjust configurations based on specific requirements (e.g., bandwidth) and available resources. These networks rely on continuous monitoring and intelligent mechanisms for self-optimization, self-repair, and self-protection, nowadays enhanced by Neural Networks (NNs) to enable predictive modeling and pattern recognition. Here, Federated Learning (FL) allows multiple AN cells - each equipped with NNs - to collaboratively train models while preserving data privacy. However, FL requires frequent transmission of large neural data and thus an efficient, standardized compression strategy for reliable communication. To address this, we investigate NNCodec, a Fraunhofer implementation of the ISO/IEC Neural Network Coding (NNC) standard, within a novel FL framework that integrates tiny language models (TLMs) for various mobile network feature prediction (e.g., ping, SNR or band frequency). Our experimental results on the Berlin V2X dataset demonstrate that NNCodec achieves transparent compression (i.e., negligible performance loss) while reducing communication overhead to below 1%, showing the effectiveness of combining NNC with FL in collaboratively learned autonomous mobile networks.
Authors: Xueyu Zhou, Chun Yin IP, Jian Huang
Abstract: The main objective of fair statistical modeling and machine learning is to minimize or eliminate biases that may arise from the data or the model itself, ensuring that predictions and decisions are not unjustly influenced by sensitive attributes such as race, gender, age, or other protected characteristics. In this paper, we introduce a Fair Sufficient Representation Learning (FSRL) method that balances sufficiency and fairness. Sufficiency ensures that the representation should capture all necessary information about the target variables, while fairness requires that the learned representation remains independent of sensitive attributes. FSRL is based on a convex combination of an objective function for learning a sufficient representation and an objective function that ensures fairness. Our approach manages fairness and sufficiency at the representation level, offering a novel perspective on fair representation learning. We implement this method using distance covariance, which is effective for characterizing independence between random variables. We establish the convergence properties of the learned representations. Experiments conducted on healthcase and text datasets with diverse structures demonstrate that FSRL achieves a superior trade-off between fairness and accuracy compared to existing approaches.
Authors: Shuntuo Xu, Zhou Yu, Jian Huang
Abstract: The density ratio is an important metric for evaluating the relative likelihood of two probability distributions, with extensive applications in statistics and machine learning. However, existing estimation theories for density ratios often depend on stringent regularity conditions, mainly focusing on density ratio functions with bounded domains and ranges. In this paper, we study density ratio estimators using loss functions based on least squares and logistic regression. We establish upper bounds on estimation errors with standard minimax optimal rates, up to logarithmic factors. Our results accommodate density ratio functions with unbounded domains and ranges. We apply our results to nonparametric regression and conditional flow models under covariate shift and identify the tail properties of the density ratio as crucial for error control across domains affected by covariate shift. We provide sufficient conditions under which loss correction is unnecessary and demonstrate effective generalization capabilities of a source estimator to any suitable target domain. Our simulation experiments support these theoretical findings, indicating that the source estimator can outperform those derived from loss correction methods, even when the true density ratio is known.
Authors: Fereniki Panagopoulou
Abstract: Do robots vote? Do machines make decisions instead of us? No, (at least not yet), but this is something that could happen. The impact of Artificial Intelligence (AI) on democracy is a complex issue that requires thorough research and careful regulation. At the most important level, that of the electoral process, it is noted that it is not determined by the AI, but it is greatly impacted by its multiple applications. New types of online campaigns, driven by AI applications, are replacing traditional ones. The potential for manipulating voters and indirectly influencing the electoral outcome should not be underestimated. Certainly, instances of voter manipulation are not absent from traditional political campaigns, with the only difference being that digital manipulation is often carried out without our knowledge, e.g. by monitoring our behavior on social media. Nevertheless, we should not overlook the positive impact that AI has in the upgrading of democratic institutions by providing a forum for participation in decision-making. In this context, as a first step, we look into the potential jeopardization of democratic processes posed by the use of AI tools. Secondly, we consider the possibility of strengthening democratic processes by using AI, as well as the democratization of AI itself through the possibilities it offers. And thirdly, the impact of AI on the representative system is also discussed. The paper is concluded with recommendations and conclusions.
Authors: Loc Hoang Tran, Luong Anh Tuan Nguyen
Abstract: Face recognition is a crucial topic in data science and biometric security, with applications spanning military, finance, and retail industries. This paper explores the implementation of sparse Principal Component Analysis (PCA) using the Proximal Gradient method (also known as ISTA) and the Runge-Kutta numerical methods. To address the face recognition problem, we integrate sparse PCA with either the k-nearest neighbor method or the kernel ridge regression method. Experimental results demonstrate that combining sparse PCA-solved via the Proximal Gradient method or the Runge-Kutta numerical approach-with a classification system yields higher accuracy compared to standard PCA. Additionally, we observe that the Runge-Kutta-based sparse PCA computation consistently outperforms the Proximal Gradient method in terms of speed.
Authors: Tina Vartziotis, Maximilian Schmidt, George Dasoulas, Ippolyti Dellatolas, Stefano Attademo, Viet Dung Le, Anke Wiechmann, Tim Hoffmann, Michael Keckeisen, Sotirios Kotsopoulos
Abstract: Due to increased computing use, data centers consume and emit a lot of energy and carbon. These contributions are expected to rise as big data analytics, digitization, and large AI models grow and become major components of daily working routines. To reduce the environmental impact of software development, green (sustainable) coding and claims that AI models can improve energy efficiency have grown in popularity. Furthermore, in the automotive industry, where software increasingly governs vehicle performance, safety, and user experience, the principles of green coding and AI-driven efficiency could significantly contribute to reducing the sector's environmental footprint. We present an overview of green coding and metrics to measure AI model sustainability awareness. This study introduces LLM as a service and uses a generative commercial AI language model, GitHub Copilot, to auto-generate code. Using sustainability metrics to quantify these AI models' sustainability awareness, we define the code's embodied and operational carbon.
Authors: Joshua Hatherley
Abstract: It is commonly accepted that clinicians are ethically obligated to disclose their use of medical machine learning systems to patients, and that failure to do so would amount to a moral fault for which clinicians ought to be held accountable. Call this "the disclosure thesis." Four main arguments have been, or could be, given to support the disclosure thesis in the ethics literature: the risk-based argument, the rights-based argument, the materiality argument, and the autonomy argument. In this article, I argue that each of these four arguments are unconvincing, and therefore, that the disclosure thesis ought to be rejected. I suggest that mandating disclosure may also even risk harming patients by providing stakeholders with a way to avoid accountability for harm that results from improper applications or uses of these systems.
Authors: Lan Wei, Gema Vera Gonzalez, Phatsimo Kgwarae, Alexander Timms, Denis Zahorovsky, Simon Schultz, Dandan Zhang
Abstract: In vivo image-guided multi-pipette patch-clamp is essential for studying cellular interactions and network dynamics in neuroscience. However, current procedures mainly rely on manual expertise, which limits accessibility and scalability. Robotic automation presents a promising solution, but achieving precise real-time detection of multiple pipettes remains a challenge. Existing methods focus on ex vivo experiments or single pipette use, making them inadequate for in vivo multi-pipette scenarios. To address these challenges, we propose a heatmap-augmented coarse-to-fine learning technique to facilitate multi-pipette real-time localisation for robot-assisted in vivo patch-clamp. More specifically, we introduce a Generative Adversarial Network (GAN)-based module to remove background noise and enhance pipette visibility. We then introduce a two-stage Transformer model that starts with predicting the coarse heatmap of the pipette tips, followed by the fine-grained coordination regression module for precise tip localisation. To ensure robust training, we use the Hungarian algorithm for optimal matching between the predicted and actual locations of tips. Experimental results demonstrate that our method achieved > 98% accuracy within 10 {\mu}m, and > 89% accuracy within 5 {\mu}m for the localisation of multi-pipette tips. The average MSE is 2.52 {\mu}m.
Authors: Christian Beron Curti, Rodrigo Vargas Sainz, Yitong Tseo
Abstract: This research project explores the optimization of the family selection process for participation in Uruguay's Crece Contigo Family Support Program (PAF) through machine learning. An anonymized database of 15,436 previous referral cases was analyzed, focusing on pregnant women and children under four years of age. The main objective was to develop a predictive algorithm capable of determining whether a family meets the conditions for acceptance into the program. The implementation of this model seeks to streamline the evaluation process and allow for more efficient resource allocation, allocating more team time to direct support. The study included an exhaustive data analysis and the implementation of various machine learning models, including Neural Networks (NN), XGBoost (XGB), LSTM, and ensemble models. Techniques to address class imbalance, such as SMOTE and RUS, were applied, as well as decision threshold optimization to improve prediction accuracy and balance. The results demonstrate the potential of these techniques for efficient classification of families requiring assistance.
Authors: Yaniv Plan, Matthew S. Scott, Xia Sheng, Ozgur Yilmaz
Abstract: Compressed sensing with subsampled unitary matrices benefits from \emph{optimized} sampling schemes, which feature improved theoretical guarantees and empirical performance relative to uniform subsampling. We provide, in a first of its kind in compressed sensing, theoretical guarantees showing that the error caused by the measurement noise vanishes with an increasing number of measurements for optimized sampling schemes, assuming that the noise is Gaussian. We moreover provide similar guarantees for measurements sampled with-replacement with arbitrary probability weights. All our results hold on prior sets contained in a union of low-dimensional subspaces. Finally, we demonstrate that this denoising behavior appears in empirical experiments with a rate that closely matches our theoretical guarantees when the prior set is the range of a generative ReLU neural network and when it is the set of sparse vectors.
Authors: Asraa Muayed Abdalah, Noor Redha Alkazaz
Abstract: This study used machine learning algorithms to identify actors and extract the age of actors from images taken randomly from movies. The use of images taken from Arab movies includes challenges such as non-uniform lighting, different and multiple poses for the actors and multiple elements with the actor or a group of actors. Additionally, the use of make-up, wigs, beards, and wearing different accessories and costumes made it difficult for the system to identify the personality of the same actor. The Arab Actors Dataset-AAD comprises 574 images sourced from various movies, encompassing both black and white as well as color compositions. The images depict complete scenes or fragments thereof. Multiple models were employed for feature extraction, and diverse machine learning algorithms were utilized during the classification and prediction stages to determine the most effective algorithm for handling such image types. The study demonstrated the effectiveness of the Logistic Regression model exhibited the best performance compared to other models in the training phase, as evidenced by its AUC, precision, CA and F1score values of 99%, 86%, 85.5% and 84.2% respectively. The findings of this study can be used to improve the precision and reliability of facial recognition technology for various uses as with movies search services, movie suggestion algorithms, and genre classification of movies.
Authors: Chunxue Xu, Yiwei Wang, Bryan Hooi, Yujun Cai, Songze Li
Abstract: Visual Language Models (VLMs) have become foundational models for document understanding tasks, widely used in the processing of complex multimodal documents across domains such as finance, law, and academia. However, documents often contain noise-like information, such as watermarks, which inevitably leads us to inquire: \emph{Do watermarks degrade the performance of VLMs in document understanding?} To address this, we propose a novel evaluation framework to investigate the effect of visible watermarks on VLMs performance. We takes into account various factors, including different types of document data, the positions of watermarks within documents and variations in watermark content. Our experimental results reveal that VLMs performance can be significantly compromised by watermarks, with performance drop rates reaching up to 36\%. We discover that \emph{scattered} watermarks cause stronger interference than centralized ones, and that \emph{semantic contents} in watermarks creates greater disruption than simple visual occlusion. Through attention mechanism analysis and embedding similarity examination, we find that the performance drops are mainly attributed to that watermarks 1) force widespread attention redistribution, and 2) alter semantic representation in the embedding space. Our research not only highlights significant challenges in deploying VLMs for document understanding, but also provides insights towards developing robust inference mechanisms on watermarked documents.
Authors: Bingxin Li
Abstract: Multimodal models integrating speech and vision hold significant potential for advancing human-computer interaction, particularly in Speech-Based Visual Question Answering (SBVQA) where spoken questions about images require direct audio-visual understanding. Existing approaches predominantly focus on text-visual integration, leaving speech-visual modality gaps underexplored due to their inherent heterogeneity. To this end, we introduce SViQA, a unified speech-vision model that directly processes spoken questions without text transcription. Building upon the LLaVA architecture, our framework bridges auditory and visual modalities through two key innovations: (1) end-to-end speech feature extraction eliminating intermediate text conversion, and (2) cross-modal alignment optimization enabling effective fusion of speech signals with visual content. Extensive experimental results on the SBVQA benchmark demonstrate the proposed SViQA's state-of-the-art performance, achieving 75.62% accuracy, and competitive multimodal generalization. Leveraging speech-text mixed input boosts performance to 78.85%, a 3.23% improvement over pure speech input, highlighting SViQA's enhanced robustness and effective cross-modal attention alignment.
Authors: Liam Parker, Adrian E. Bayer, Uros Seljak
Abstract: We present a hybrid method for reconstructing the primordial density from late-time halos and galaxies. Our approach involves two steps: (1) apply standard Baryon Acoustic Oscillation (BAO) reconstruction to recover the large-scale features in the primordial density field and (2) train a deep learning model to learn small-scale corrections on partitioned subgrids of the full volume. At inference, this correction is then convolved across the full survey volume, enabling scaling to large survey volumes. We train our method on both mock halo catalogs and mock galaxy catalogs in both configuration and redshift space from the Quijote $1(h^{-1}\,\mathrm{Gpc})^3$ simulation suite. When evaluated on held-out simulations, our combined approach significantly improves the reconstruction cross-correlation coefficient with the true initial density field and remains robust to moderate model misspecification. Additionally, we show that models trained on $1(h^{-1}\,\mathrm{Gpc})^3$ can be applied to larger boxes--e.g., $(3h^{-1}\,\mathrm{Gpc})^3$--without retraining. Finally, we perform a Fisher analysis on our method's recovery of the BAO peak, and find that it significantly improves the error on the acoustic scale relative to standard BAO reconstruction. Ultimately, this method robustly captures nonlinearities and bias without sacrificing large-scale accuracy, and its flexibility to handle arbitrarily large volumes without escalating computational requirements makes it especially promising for large-volume surveys like DESI.
Authors: Mat\'eo Mahaut, Francesca Franzon
Abstract: Text generated by language models (LMs) can degrade into repetitive cycles, where identical word sequences are persistently repeated one after another. Prior research has typically treated repetition as a unitary phenomenon. However, repetitive sequences emerge under diverse tasks and contexts, raising the possibility that it may be driven by multiple underlying factors. Here, we experimentally explore the hypothesis that repetition in LMs can result from distinct mechanisms, reflecting different text generation strategies used by the model. We examine the internal working of LMs under two conditions that prompt repetition: one in which repeated sequences emerge naturally after human-written text, and another where repetition is explicitly induced through an in-context learning (ICL) setup. Our analysis reveals key differences between the two conditions: the model exhibits varying levels of confidence, relies on different attention heads, and shows distinct pattens of change in response to controlled perturbations. These findings suggest that distinct internal mechanisms can interact to drive repetition, with implications for its interpretation and mitigation strategies. More broadly, our results highlight that the same surface behavior in LMs may be sustained by different underlying processes, acting independently or in combination.
Authors: Adrian-Gabriel Chifu, S\'ebastien D\'ejean, Josiane Mothe, Moncef Garouani, Diego Ortiz, Md Zia Ullah
Abstract: Query Performance Prediction (QPP) estimates retrieval systems effectiveness for a given query, offering valuable insights for search effectiveness and query processing. Despite extensive research, QPPs face critical challenges in generalizing across diverse retrieval paradigms and collections. This paper provides a comprehensive evaluation of state-of-the-art QPPs (e.g. NQC, UQC), LETOR-based features, and newly explored dense-based predictors. Using diverse sparse rankers (BM25, DFree without and with query expansion) and hybrid or dense (SPLADE and ColBert) rankers and diverse test collections ROBUST, GOV2, WT10G, and MS MARCO; we investigate the relationships between predicted and actual performance, with a focus on generalization and robustness. Results show significant variability in predictors accuracy, with collections as the main factor and rankers next. Some sparse predictors perform somehow on some collections (TREC ROBUST and GOV2) but do not generalise to other collections (WT10G and MS-MARCO). While some predictors show promise in specific scenarios, their overall limitations constrain their utility for applications. We show that QPP-driven selective query processing offers only marginal gains, emphasizing the need for improved predictors that generalize across collections, align with dense retrieval architectures and are useful for downstream applications.
Authors: Mahjabin Nahar, Eun-Ju Lee, Jin Won Park, Dongwon Lee
Abstract: While we increasingly rely on large language models (LLMs) for various tasks, these models are known to produce inaccurate content or 'hallucinations' with potentially disastrous consequences. The recent integration of web search results into LLMs prompts the question of whether people utilize them to verify the generated content, thereby avoiding falling victim to hallucinations. This study (N = 560) investigated how the provision of search results, either static (fixed search results) or dynamic (participant-driven searches), affect participants' perceived accuracy and confidence in evaluating LLM-generated content (i.e., genuine, minor hallucination, major hallucination), compared to the control condition (no search results). Findings indicate that participants in both static and dynamic conditions (vs. control) rated hallucinated content to be less accurate. However, those in the dynamic condition rated genuine content as more accurate and demonstrated greater overall confidence in their assessments than those in the static or control conditions. In addition, those higher in need for cognition (NFC) rated major hallucinations to be less accurate than low NFC participants, with no corresponding difference for genuine content or minor hallucinations. These results underscore the potential benefits of integrating web search results into LLMs for the detection of hallucinations, as well as the need for a more nuanced approach when developing human-centered systems, taking user characteristics into account.
Authors: Sheikh A. Tahmid, Gennaro Notomista
Abstract: Many modern robotic systems such as multi-robot systems and manipulators exhibit redundancy, a property owing to which they are capable of executing multiple tasks. This work proposes a novel method, based on the Reinforcement Learning (RL) paradigm, to train redundant robots to be able to execute multiple tasks concurrently. Our approach differs from typical multi-objective RL methods insofar as the learned tasks can be combined and executed in possibly time-varying prioritized stacks. We do so by first defining a notion of task independence between learned value functions. We then use our definition of task independence to propose a cost functional that encourages a policy, based on an approximated value function, to accomplish its control objective while minimally interfering with the execution of higher priority tasks. This allows us to train a set of control policies that can be executed simultaneously. We also introduce a version of fitted value iteration to learn to approximate our proposed cost functional efficiently. We demonstrate our approach on several scenarios and robotic systems.
Authors: Salim Khazem, Jeremy Fix, C\'edric Pradalier
Abstract: Deep learning models have achieved significant success in various image related tasks. However, they often encounter challenges related to computational complexity and overfitting. In this paper, we propose an efficient approach that leverages polygonal representations of images using dominant points or contour coordinates. By transforming input images into these compact forms, our method significantly reduces computational requirements, accelerates training, and conserves resources making it suitable for real time and resource constrained applications. These representations inherently capture essential image features while filtering noise, providing a natural regularization effect that mitigates overfitting. The resulting lightweight models achieve performance comparable to state of the art methods using full resolution images while enabling deployment on edge devices. Extensive experiments on benchmark datasets validate the effectiveness of our approach in reducing complexity, improving generalization, and facilitating edge computing applications. This work demonstrates the potential of polygonal representations in advancing efficient and scalable deep learning solutions for real world scenarios. The code for the experiments of the paper is provided in https://github.com/salimkhazem/PolygoNet.
Authors: Feng Chen, Dror Ben-Zeev, Gillian Sparks, Arya Kadakia, Trevor Cohen
Abstract: Post-Traumatic Stress Disorder (PTSD) remains underdiagnosed in clinical settings, presenting opportunities for automated detection to identify patients. This study evaluates natural language processing approaches for detecting PTSD from clinical interview transcripts. We compared general and mental health-specific transformer models (BERT/RoBERTa), embedding-based methods (SentenceBERT/LLaMA), and large language model prompting strategies (zero-shot/few-shot/chain-of-thought) using the DAIC-WOZ dataset. Domain-specific models significantly outperformed general models (Mental-RoBERTa F1=0.643 vs. RoBERTa-base 0.485). LLaMA embeddings with neural networks achieved the highest performance (F1=0.700). Zero-shot prompting using DSM-5 criteria yielded competitive results without training data (F1=0.657). Performance varied significantly across symptom severity and comorbidity status, with higher accuracy for severe PTSD cases and patients with comorbid depression. Our findings highlight the potential of domain-adapted embeddings and LLMs for scalable screening while underscoring the need for improved detection of nuanced presentations and offering insights for developing clinically viable AI tools for PTSD assessment.
Authors: Jaskaran Singh Walia, Shravan Venkatraman, Pavithra LK
Abstract: Underwater images suffer from severe degradations, including color distortions, reduced visibility, and loss of structural details due to wavelength-dependent attenuation and scattering. Existing enhancement methods primarily focus on spatial-domain processing, neglecting the frequency domain's potential to capture global color distributions and long-range dependencies. To address these limitations, we propose FUSION, a dual-domain deep learning framework that jointly leverages spatial and frequency domain information. FUSION independently processes each RGB channel through multi-scale convolutional kernels and adaptive attention mechanisms in the spatial domain, while simultaneously extracting global structural information via FFT-based frequency attention. A Frequency Guided Fusion module integrates complementary features from both domains, followed by inter-channel fusion and adaptive channel recalibration to ensure balanced color distributions. Extensive experiments on benchmark datasets (UIEB, EUVP, SUIM-E) demonstrate that FUSION achieves state-of-the-art performance, consistently outperforming existing methods in reconstruction fidelity (highest PSNR of 23.717 dB and SSIM of 0.883 on UIEB), perceptual quality (lowest LPIPS of 0.112 on UIEB), and visual enhancement metrics (best UIQM of 3.414 on UIEB), while requiring significantly fewer parameters (0.28M) and lower computational complexity, demonstrating its suitability for real-time underwater imaging applications.
Authors: Rafael Giebisch, Ken E. Friedl, Lev Sorokin, Andrea Stocco
Abstract: In-car conversational systems bring the promise to improve the in-vehicle user experience. Modern conversational systems are based on Large Language Models (LLMs), which makes them prone to errors such as hallucinations, i.e., inaccurate, fictitious, and therefore factually incorrect information. In this paper, we present an LLM-based methodology for the automatic factual benchmarking of in-car conversational systems. We instantiate our methodology with five LLM-based methods, leveraging ensembling techniques and diverse personae to enhance agreement and minimize hallucinations. We use our methodology to evaluate CarExpert, an in-car retrieval-augmented conversational question answering system, with respect to the factual correctness to a vehicle's manual. We produced a novel dataset specifically created for the in-car domain, and tested our methodology against an expert evaluation. Our results show that the combination of GPT-4 with the Input Output Prompting achieves over 90 per cent factual correctness agreement rate with expert evaluations, other than being the most efficient approach yielding an average response time of 4.5s. Our findings suggest that LLM-based testing constitutes a viable approach for the validation of conversational systems regarding their factual correctness.
Authors: Sorin Grigorescu, Mihai Zaha
Abstract: This paper introduces the Deep Learning-based Nonlinear Model Predictive Controller with Scene Dynamics (DL-NMPC-SD) method for autonomous navigation. DL-NMPC-SD uses an a-priori nominal vehicle model in combination with a scene dynamics model learned from temporal range sensing information. The scene dynamics model is responsible for estimating the desired vehicle trajectory, as well as to adjust the true system model used by the underlying model predictive controller. We propose to encode the scene dynamics model within the layers of a deep neural network, which acts as a nonlinear approximator for the high order state-space of the operating conditions. The model is learned based on temporal sequences of range sensing observations and system states, both integrated by an Augmented Memory component. We use Inverse Reinforcement Learning and the Bellman optimality principle to train our learning controller with a modified version of the Deep Q-Learning algorithm, enabling us to estimate the desired state trajectory as an optimal action-value function. We have evaluated DL-NMPC-SD against the baseline Dynamic Window Approach (DWA), as well as against two state-of-the-art End2End and reinforcement learning methods, respectively. The performance has been measured in three experiments: i) in our GridSim virtual environment, ii) on indoor and outdoor navigation tasks using our RovisLab AMTU (Autonomous Mobile Test Unit) platform and iii) on a full scale autonomous test vehicle driving on public roads.
Authors: Manolo Canales Cuba, Jo\~ao Paulo Gois
Abstract: Achieving highly diverse and perceptually consistent 3D character animations with natural motion and low computational costs remains a challenge in computer animation. Existing methods often struggle to provide the nuanced complexity of human movement, resulting in perceptual inconsistencies and motion artifacts. To tackle these issues, we introduce FlowMotion, a novel approach that leverages Conditional Flow Matching (CFM) for improved motion synthesis. FlowMotion incorporates an innovative training objective that more accurately predicts target motion, reducing the inherent jitter associated with CFM while enhancing stability, realism, and computational efficiency in generating animations. This direct prediction approach enhances the perceptual quality of animations by reducing erratic motion and aligning the training more closely with the dynamic characteristics of human movement. Our experimental results demonstrate that FlowMotion achieves higher balance between motion smoothness and generalization capability while maintaining the computational efficiency inherent in flow matching compared to state-of-the-art methods.
Authors: Akil Raj Subedi, Taniya Shah, Aswani Kumar Cherukuri, Thanos Vasilakos
Abstract: Social media platforms like Twitter have increasingly relied on Natural Language Processing NLP techniques to analyze and understand the sentiments expressed in the user generated content. One such state of the art NLP model is Bidirectional Encoder Representations from Transformers BERT which has been widely adapted in sentiment analysis. BERT is susceptible to adversarial attacks. This paper aims to scrutinize the inherent vulnerabilities of such models in Twitter sentiment analysis. It aims to formulate a framework for constructing targeted adversarial texts capable of deceiving these models, while maintaining stealth. In contrast to conventional methodologies, such as Importance Reweighting, this framework core idea resides in its reliance on gradients to prioritize the importance of individual words within the text. It uses a whitebox approach to attain fine grained sensitivity, pinpointing words that exert maximal influence on the classification outcome. This paper is organized into three interdependent phases. It starts with fine-tuning a pre-trained BERT model on Twitter data. It then analyzes gradients of the model to rank words on their importance, and iteratively replaces those with feasible candidates until an acceptable solution is found. Finally, it evaluates the effectiveness of the adversarial text against the custom trained sentiment classification model. This assessment would help in gauging the capacity of the adversarial text to successfully subvert classification without raising any alarm.
Authors: Jiaru Zou, Dongqi Fu, Sirui Chen, Xinrui He, Zihao Li, Yada Zhu, Jiawei Han, Jingrui He
Abstract: Beyond pure text, a substantial amount of knowledge is stored in tables. In real-world scenarios, user questions often require retrieving answers that are distributed across multiple tables. GraphRAG has recently attracted much attention for enhancing LLMs' reasoning capabilities by organizing external knowledge to address ad-hoc and complex questions, exemplifying a promising direction for cross-table question answering. In this paper, to address the current gap in available data, we first introduce a multi-table benchmark, MutliTableQA, comprising 60k tables and 25k user queries collected from real-world sources. Then, we propose the first Graph-Table-RAG framework, namely GTR, which reorganizes table corpora into a heterogeneous graph, employs a hierarchical coarse-to-fine retrieval process to extract the most relevant tables, and integrates graph-aware prompting for downstream LLMs' tabular reasoning. Extensive experiments show that GTR exhibits superior cross-table question-answering performance while maintaining high deployment efficiency, demonstrating its real-world practical applicability.
Authors: Haibo Zhang, Zhihua Yao, Kouichi Sakurai, Takeshi Saitoh
Abstract: In the rapidly evolving field of artificial intelligence, machine learning emerges as a key technology characterized by its vast potential and inherent risks. The stability and reliability of these models are important, as they are frequent targets of security threats. Adversarial attacks, first rigorously defined by Ian Goodfellow et al. in 2013, highlight a critical vulnerability: they can trick machine learning models into making incorrect predictions by applying nearly invisible perturbations to images. Although many studies have focused on constructing sophisticated defensive mechanisms to mitigate such attacks, they often overlook the substantial time and computational costs of training and maintaining these models. Ideally, a defense method should be able to generalize across various, even unseen, adversarial attacks with minimal overhead. Building on our previous work on image-to-image translation-based defenses, this study introduces an improved model that incorporates residual blocks to enhance generalizability. The proposed method requires training only a single model, effectively defends against diverse attack types, and is well-transferable between different target models. Experiments show that our model can restore the classification accuracy from near zero to an average of 72\% while maintaining competitive performance compared to state-of-the-art methods.
Authors: Xingshan Zeng, Weiwen Liu, Xu Huang, Zezhong Wang, Lingzhi Wang, Liangyou Li, Yasheng Wang, Lifeng Shang, Xin Jiang, Ruiming Tang, Qun Liu
Abstract: Tool learning, which allows Large Language Models (LLMs) to leverage external tools for solving complex user tasks, has emerged as a promising avenue for extending model capabilities. However, current approaches primarily focus on data synthesis for fine-tuning LLMs to invoke tools effectively, largely ignoring how to fully stimulate the potential of the model. In this paper, we propose ToolACE-R, a novel method that introduces adaptive self-refinement for tool invocations. Our approach features a model-aware iterative training procedure that progressively incorporates more training samples based on the model's evolving capabilities. Additionally, it allows LLMs to iteratively refine their tool calls, optimizing performance without requiring external feedback. To further enhance computational efficiency, we integrate an adaptive mechanism when scaling the inference time, enabling the model to autonomously determine when to stop the refinement process. We conduct extensive experiments across several benchmark datasets, showing that ToolACE-R achieves competitive performance compared to advanced API-based models, even without any refinement. Furthermore, its performance can be further improved efficiently through adaptive self-refinement. Our results demonstrate the effectiveness of the proposed method, which is compatible with base models of various sizes, offering a promising direction for more efficient tool learning.
Authors: Joong-Ku Lee, Hyeonseok Choi, Young Soo Park, Jee-Hwan Ryu
Abstract: This paper presents a Learning from Teleoperation (LfT) framework that integrates human expertise with robotic precision to enable robots to autonomously perform skills learned from human operators. The proposed framework addresses challenges in nuclear waste handling tasks, which often involve repetitive and meticulous manipulation operations. By capturing operator movements and manipulation forces during teleoperation, the framework utilizes this data to train machine learning models capable of replicating and generalizing human skills. We validate the effectiveness of the LfT framework through its application to a power plug insertion task, selected as a representative scenario that is repetitive yet requires precise trajectory and force control. Experimental results highlight significant improvements in task efficiency, while reducing reliance on continuous operator involvement.
Authors: Hao Zhu, Shengchao Yan, Jasper Hoffmann, Joschka Boedecker
Abstract: Discrete latent factor models (DLFMs) are widely used in various domains such as machine learning, economics, neuroscience, psychology, etc. Currently, fitting a DLFM to some dataset relies on a customized solver for individual models, which requires lots of effort to implement and is limited to the targeted specific instance of DLFMs. In this paper, we propose a generic framework based on CVXPY, which allows users to specify and solve the fitting problem of a wide range of DLFMs, including both regression and classification models, within a very short script. Our framework is flexible and inherently supports the integration of regularization terms and constraints on the DLFM parameters and latent factors, such that the users can easily prototype the DLFM structure according to their dataset and application scenario. We introduce our open-source Python implementation and illustrate the framework in several examples.
Authors: Hang Li, Shengyao Zhuang, Bevan Koopman, Guido Zuccon
Abstract: Vector Pseudo Relevance Feedback (VPRF) has shown promising results in improving BERT-based dense retrieval systems through iterative refinement of query representations. This paper investigates the generalizability of VPRF to Large Language Model (LLM) based dense retrievers. We introduce LLM-VPRF and evaluate its effectiveness across multiple benchmark datasets, analyzing how different LLMs impact the feedback mechanism. Our results demonstrate that VPRF's benefits successfully extend to LLM architectures, establishing it as a robust technique for enhancing dense retrieval performance regardless of the underlying models. This work bridges the gap between VPRF with traditional BERT-based dense retrievers and modern LLMs, while providing insights into their future directions.
Authors: Encheng Su, Hu Cao, Alois Knoll
Abstract: Accurate segmentation of polyps and skin lesions is essential for diagnosing colorectal and skin cancers. While various segmentation methods for polyps and skin lesions using fully supervised deep learning techniques have been developed, the pixel-level annotation of medical images by doctors is both time-consuming and costly. Foundational vision models like the Segment Anything Model (SAM) have demonstrated superior performance; however, directly applying SAM to medical segmentation may not yield satisfactory results due to the lack of domain-specific medical knowledge. In this paper, we propose BiSeg-SAM, a SAM-guided weakly supervised prompting and boundary refinement network for the segmentation of polyps and skin lesions. Specifically, we fine-tune SAM combined with a CNN module to learn local features. We introduce a WeakBox with two functions: automatically generating box prompts for the SAM model and using our proposed Multi-choice Mask-to-Box (MM2B) transformation for rough mask-to-box conversion, addressing the mismatch between coarse labels and precise predictions. Additionally, we apply scale consistency (SC) loss for prediction scale alignment. Our DetailRefine module enhances boundary precision and segmentation accuracy by refining coarse predictions using a limited amount of ground truth labels. This comprehensive approach enables BiSeg-SAM to achieve excellent multi-task segmentation performance. Our method demonstrates significant superiority over state-of-the-art (SOTA) methods when tested on five polyp datasets and one skin cancer dataset.
Authors: Roxane Cohen (LAMSADE), Robin David (LITIS), Florian Yger (LITIS), Fabrice Rossi (CEREMADE)
Abstract: Protecting sensitive program content is a critical issue in various situations, ranging from legitimate use cases to unethical contexts. Obfuscation is one of the most used techniques to ensure such protection. Consequently, attackers must first detect and characterize obfuscation before launching any attack against it. This paper investigates the problem of function-level obfuscation detection using graph-based approaches, comparing algorithms, from elementary baselines to promising techniques like GNN (Graph Neural Networks), on different feature choices. We consider various obfuscation types and obfuscators, resulting in two complex datasets. Our findings demonstrate that GNNs need meaningful features that capture aspects of function semantics to outperform baselines. Our approach shows satisfactory results, especially in a challenging 11-class classification task and in a practical malware analysis example.
Authors: Kuei-Jan Chu, Nozomi Akashi, Akihiro Yamamoto
Abstract: Machine learning methods have shown promise in learning chaotic dynamical systems, enabling model-free short-term prediction and attractor reconstruction. However, when applied to large-scale, spatiotemporally chaotic systems, purely data-driven machine learning methods often suffer from inefficiencies, as they require a large learning model size and a massive amount of training data to achieve acceptable performance. To address this challenge, we incorporate the spatial coupling structure of the target system as an inductive bias in the network design. Specifically, we introduce physics-guided clustered echo state networks, leveraging the efficiency of the echo state networks as a base model. Experimental results on benchmark chaotic systems demonstrate that our physics-informed method outperforms existing echo state network models in learning the target chaotic systems. Additionally, our models exhibit robustness to noise in training data and remain effective even when prior coupling knowledge is imperfect. This approach has the potential to enhance other machine learning methods.
Authors: You-Le Fang, Dong-Shan Jian, Xiang Li, Yan-Qing Ma
Abstract: Current limitations in human scientific discovery necessitate a new research paradigm. While advances in artificial intelligence (AI) offer a highly promising solution, enabling AI to emulate human-like scientific discovery remains an open challenge. To address this, we propose AI-Newton, a concept-driven discovery system capable of autonomously deriving physical laws from raw data -- without supervision or prior physical knowledge. The system integrates a knowledge base and knowledge representation centered on physical concepts, along with an autonomous discovery workflow. As a proof of concept, we apply AI-Newton to a large set of Newtonian mechanics problems. Given experimental data with noise, the system successfully rediscovers fundamental laws, including Newton's second law, energy conservation and law of gravitation, using autonomously defined concepts. This achievement marks a significant step toward AI-driven autonomous scientific discovery.
Authors: Zhengyang Lei, Sihong Shao
Abstract: With the aim of generalizing histogram statistics to higher dimensional cases, density estimation via discrepancy based sequential partition (DSP) has been proposed [D. Li, K. Yang, W. Wong, Advances in Neural Information Processing Systems (2016) 1099-1107] to learn an adaptive piecewise constant approximation defined on a binary sequential partition of the underlying domain, where the star discrepancy is adopted to measure the uniformity of particle distribution. However, the calculation of the star discrepancy is NP-hard and it does not satisfy the reflection invariance and rotation invariance either. To this end, we use the mixture discrepancy and the comparison of moments as a replacement of the star discrepancy, leading to the density estimation via mixture discrepancy based sequential partition (DSP-mix) and density estimation via moments based sequential partition (MSP), respectively. Both DSP-mix and MSP are computationally tractable and exhibit the reflection and rotation invariance. Numerical experiments in reconstructing the $d$-D mixture of Gaussians and Betas with $d=2, 3, \dots, 6$ demonstrate that DSP-mix and MSP both run approximately ten times faster than DSP while maintaining the same accuracy.
Authors: Aleksander Plocharski, Jan Swidzinski, Przemyslaw Musialski
Abstract: We present Pro-DG, a framework for procedurally controllable photo-realistic facade generation that combines a procedural shape grammar with diffusion-based image synthesis. Starting from a single input image, we reconstruct its facade layout using grammar rules, then edit that structure through user-defined transformations. As facades are inherently multi-hierarchical structures, we introduce hierarchical matching procedure that aligns facade structures at different levels which is used to introduce control maps to guide a generative diffusion pipeline. This approach retains local appearance fidelity while accommodating large-scale edits such as floor duplication or window rearrangement. We provide a thorough evaluation, comparing Pro-DG against inpainting-based baselines and synthetic ground truths. Our user study and quantitative measurements indicate improved preservation of architectural identity and higher edit accuracy. Our novel method is the first to integrate neuro-symbolically derived shape-grammars for modeling with modern generative model and highlights the broader potential of such approaches for precise and controllable image manipulation.
Authors: Tommy Rochussen, Vincent Fortuin
Abstract: Despite significant recent advances in probabilistic meta-learning, it is common for practitioners to avoid using deep learning models due to a comparative lack of interpretability. Instead, many practitioners simply use non-meta-models such as Gaussian processes with interpretable priors, and conduct the tedious procedure of training their model from scratch for each task they encounter. While this is justifiable for tasks with a limited number of data points, the cubic computational cost of exact Gaussian process inference renders this prohibitive when each task has many observations. To remedy this, we introduce a family of models that meta-learn sparse Gaussian process inference. Not only does this enable rapid prediction on new tasks with sparse Gaussian processes, but since our models have clear interpretations as members of the neural process family, it also allows manual elicitation of priors in a neural process for the first time. In meta-learning regimes for which the number of observed tasks is small or for which expert domain knowledge is available, this offers a crucial advantage.
Authors: Alberto Abadie, Anish Agarwal, Devavrat Shah
Abstract: We propose a formal model for counterfactual estimation with unobserved confounding in "data-rich" settings, i.e., where there are a large number of units and a large number of measurements per unit. Our model provides a bridge between the structural causal model view of causal inference common in the graphical models literature with that of the latent factor model view common in the potential outcomes literature. We show how classic models for potential outcomes and treatment assignments fit within our framework. We provide an identification argument for the average treatment effect, the average treatment effect on the treated, and the average treatment effect on the untreated. For any estimator that has a fast enough estimation error rate for a certain nuisance parameter, we establish it is consistent for these various causal parameters. We then show principal component regression is one such estimator that leads to consistent estimation, and we analyze the minimal smoothness required of the potential outcomes function for consistency.
Authors: Petr Vanc, Karla Stepanova
Abstract: As human-robot collaboration advances, natural and flexible communication methods are essential for effective robot control. Traditional methods relying on a single modality or rigid rules struggle with noisy or misaligned data as well as with object descriptions that do not perfectly fit the predefined object names (e.g. 'Pick that red object'). We introduce TransforMerger, a transformer-based reasoning model that infers a structured action command for robotic manipulation based on fused voice and gesture inputs. Our approach merges multimodal data into a single unified sentence, which is then processed by the language model. We employ probabilistic embeddings to handle uncertainty and we integrate contextual scene understanding to resolve ambiguous references (e.g., gestures pointing to multiple objects or vague verbal cues like "this"). We evaluate TransforMerger in simulated and real-world experiments, demonstrating its robustness to noise, misalignment, and missing information. Our results show that TransforMerger outperforms deterministic baselines, especially in scenarios requiring more contextual knowledge, enabling more robust and flexible human-robot communication. Code and datasets are available at: http://imitrob.ciirc.cvut.cz/publications/transformerger.
URLs: http://imitrob.ciirc.cvut.cz/publications/transformerger.
Authors: Eduardo Fernandes Montesuma
Abstract: Knowledge Distillation (KD) seeks to transfer the knowledge of a teacher, towards a student neural net. This process is often done by matching the networks' predictions (i.e., their output), but, recently several works have proposed to match the distributions of neural nets' activations (i.e., their features), a process known as \emph{distribution matching}. In this paper, we propose an unifying framework, Knowledge Distillation through Distribution Matching (KD$^{2}$M), which formalizes this strategy. Our contributions are threefold. We i) provide an overview of distribution metrics used in distribution matching, ii) benchmark on computer vision datasets, and iii) derive new theoretical results for KD.
Authors: Anne Somalwar, Bruce D. Lee, George J. Pappas, Nikolai Matni
Abstract: Compounding error, where small prediction mistakes accumulate over time, presents a major challenge in learning-based control. For example, this issue often limits the performance of model-based reinforcement learning and imitation learning. One common approach to mitigate compounding error is to train multi-step predictors directly, rather than relying on autoregressive rollout of a single-step model. However, it is not well understood when the benefits of multi-step prediction outweigh the added complexity of learning a more complicated model. In this work, we provide a rigorous analysis of this trade-off in the context of linear dynamical systems. We show that when the model class is well-specified and accurately captures the system dynamics, single-step models achieve lower asymptotic prediction error. On the other hand, when the model class is misspecified due to partial observability, direct multi-step predictors can significantly reduce bias and thus outperform single-step approaches. These theoretical results are supported by numerical experiments, wherein we also (a) empirically evaluate an intermediate strategy which trains a single-step model using a multi-step loss and (b) evaluate performance of single step and multi-step predictors in a closed loop control setting.
Authors: Theodoros Aivalis, Iraklis A. Klampanos, Antonis Troumpoukis, Joemon M. Jose
Abstract: Generative AI models offer powerful capabilities but often lack transparency, making it difficult to interpret their output. This is critical in cases involving artistic or copyrighted content. This work introduces a search-inspired approach to improve the interpretability of these models by analysing the influence of training data on their outputs. Our method provides observational interpretability by focusing on a model's output rather than on its internal state. We consider both raw data and latent-space embeddings when searching for the influence of data items in generated content. We evaluate our method by retraining models locally and by demonstrating the method's ability to uncover influential subsets in the training data. This work lays the groundwork for future extensions, including user-based evaluations with domain experts, which is expected to improve observational interpretability further.
Authors: Yunqi Gu, Ian Huang, Jihyeon Je, Guandao Yang, Leonidas Guibas
Abstract: 3D graphics editing is crucial in applications like movie production and game design, yet it remains a time-consuming process that demands highly specialized domain expertise. Automating this process is challenging because graphical editing requires performing a variety of tasks, each requiring distinct skill sets. Recently, vision-language models (VLMs) have emerged as a powerful framework for automating the editing process, but their development and evaluation are bottlenecked by the lack of a comprehensive benchmark that requires human-level perception and presents real-world editing complexity. In this work, we present BlenderGym, the first comprehensive VLM system benchmark for 3D graphics editing. BlenderGym evaluates VLM systems through code-based 3D reconstruction tasks. We evaluate closed- and open-source VLM systems and observe that even the state-of-the-art VLM system struggles with tasks relatively easy for human Blender users. Enabled by BlenderGym, we study how inference scaling techniques impact VLM's performance on graphics editing tasks. Notably, our findings reveal that the verifier used to guide the scaling of generation can itself be improved through inference scaling, complementing recent insights on inference scaling of LLM generation in coding and math tasks. We further show that inference compute is not uniformly effective and can be optimized by strategically distributing it between generation and verification.
Authors: Calvin Kinateder
Abstract: The Tsetlin Machine (TM) is a propositional logic based model that uses conjunctive clauses to learn patterns from data. As with typical neural networks, the performance of a Tsetlin Machine is largely dependent on its parameter count, with a larger number of parameters producing higher accuracy but slower execution. Knowledge distillation in neural networks transfers information from an already-trained teacher model to a smaller student model to increase accuracy in the student without increasing execution time. We propose a novel approach to implementing knowledge distillation in Tsetlin Machines by utilizing the probability distributions of each output sample in the teacher to provide additional context to the student. Additionally, we propose a novel clause-transfer algorithm that weighs the importance of each clause in the teacher and initializes the student with only the most essential data. We find that our algorithm can significantly improve performance in the student model without negatively impacting latency in the tested domains of image recognition and text classification.
Authors: Robert Lefringhausen, Sami Leon Noel Aziz Hanna, Elias August, Sandra Hirche
Abstract: Certifying safety in dynamical systems is crucial, but barrier certificates - widely used to verify that system trajectories remain within a safe region - typically require explicit system models. When dynamics are unknown, data-driven methods can be used instead, yet obtaining a valid certificate requires rigorous uncertainty quantification. For this purpose, existing methods usually rely on full-state measurements, limiting their applicability. This paper proposes a novel approach for synthesizing barrier certificates for unknown systems with latent states and polynomial dynamics. A Bayesian framework is employed, where a prior in state-space representation is updated using input-output data via a targeted marginal Metropolis-Hastings sampler. The resulting samples are used to construct a candidate barrier certificate through a sum-of-squares program. It is shown that if the candidate satisfies the required conditions on a test set of additional samples, it is also valid for the true, unknown system with high probability. The approach and its probabilistic guarantees are illustrated through a numerical simulation.
Authors: Takayuki Hosonuma, Takeshi Miyabara, Naoya Ozaki, Ko Ishibashi, Yuta Suzaki, Peng Hong, Masayuki Ohta, Takeshi Takashima
Abstract: DESTINY+ is an upcoming JAXA Epsilon medium-class mission to flyby multiple asteroids including Phaethon. As an asteroid flyby observation instrument, a telescope mechanically capable of single-axis rotation, named TCAP, is mounted on the spacecraft to track and observe the target asteroids during flyby. As in past flyby missions utilizing rotating telescopes, TCAP is also used as a navigation camera for autonomous optical navigation during the closest-approach phase. To mitigate the degradation of the navigation accuracy, past missions performed calibration of the navigation camera's alignment before starting optical navigation. However, such calibration requires significant operational time to complete and imposes constraints on the operation sequence. From the above background, the DESTINY+ team has studied the possibility of reducing operational costs by allowing TCAP alignment errors to remain. This paper describes an autonomous optical navigation algorithm robust to the misalignment of rotating telescopes, proposed in this context. In the proposed method, the misalignment of the telescope is estimated simultaneously with the spacecraft's orbit relative to the flyby target. To deal with the nonlinearity between the misalignment and the observation value, the proposed method utilizes the unscented Kalman filter, instead of the extended Kalman filter widely used in past studies. The proposed method was evaluated with numerical simulations on a PC and with hardware-in-the-loop simulation, taking the Phaethon flyby in the DESTINY+ mission as an example. The validation results suggest that the proposed method can mitigate the misalignment-induced degradation of the optical navigation accuracy with reasonable computational costs suited for onboard computers.
Authors: Yuyang Qiu, Kibaek Kim, Farzad Yousefian
Abstract: Heterogeneity in federated learning (FL) is a critical and challenging aspect that significantly impacts model performance and convergence. In this paper, we propose a novel framework by formulating heterogeneous FL as a hierarchical optimization problem. This new framework captures both local and global training process through a bilevel formulation and is capable of the following: (i) addressing client heterogeneity through a personalized learning framework; (ii) capturing pre-training process on server's side; (iii) updating global model through nonstandard aggregation; (iv) allowing for nonidentical local steps; and (v) capturing clients' local constraints. We design and analyze an implicit zeroth-order FL method (ZO-HFL), provided with nonasymptotic convergence guarantees for both the server-agent and the individual client-agents, and asymptotic guarantees for both the server-agent and client-agents in an almost sure sense. Notably, our method does not rely on standard assumptions in heterogeneous FL, such as the bounded gradient dissimilarity condition. We implement our method on image classification tasks and compare with other methods under different heterogeneous settings.
Authors: Rohin Shah, Alex Irpan, Alexander Matt Turner, Anna Wang, Arthur Conmy, David Lindner, Jonah Brown-Cohen, Lewis Ho, Neel Nanda, Raluca Ada Popa, Rishub Jain, Rory Greig, Samuel Albanie, Scott Emmons, Sebastian Farquhar, S\'ebastien Krier, Senthooran Rajamanoharan, Sophie Bridgers, Tobi Ijitoye, Tom Everitt, Victoria Krakovna, Vikrant Varma, Vladimir Mikulik, Zachary Kenton, Dave Orr, Shane Legg, Noah Goodman, Allan Dafoe, Four Flynn, Anca Dragan
Abstract: Artificial General Intelligence (AGI) promises transformative benefits but also presents significant risks. We develop an approach to address the risk of harms consequential enough to significantly harm humanity. We identify four areas of risk: misuse, misalignment, mistakes, and structural risks. Of these, we focus on technical approaches to misuse and misalignment. For misuse, our strategy aims to prevent threat actors from accessing dangerous capabilities, by proactively identifying dangerous capabilities, and implementing robust security, access restrictions, monitoring, and model safety mitigations. To address misalignment, we outline two lines of defense. First, model-level mitigations such as amplified oversight and robust training can help to build an aligned model. Second, system-level security measures such as monitoring and access control can mitigate harm even if the model is misaligned. Techniques from interpretability, uncertainty estimation, and safer design patterns can enhance the effectiveness of these mitigations. Finally, we briefly outline how these ingredients could be combined to produce safety cases for AGI systems.
Authors: Yeong Gwang Son, Seunghwan Um, Juyong Hong, Tat Hieu Bui, Hyouk Ryeol Choi
Abstract: Robotic grasping is an essential capability, playing a critical role in enabling robots to physically interact with their surroundings. Despite extensive research, challenges remain due to the diverse shapes and properties of target objects, inaccuracies in sensing, and potential collisions with the environment. In this work, we propose a method for effectively grasping in cluttered bin-picking environments where these challenges intersect. We utilize a multi-functional gripper that combines both suction and finger grasping to handle a wide range of objects. We also present an active gripper adaptation strategy to minimize collisions between the gripper hardware and the surrounding environment by actively leveraging the reciprocating suction cup and reconfigurable finger motion. To fully utilize the gripper's capabilities, we built a neural network that detects suction and finger grasp points from a single input RGB-D image. This network is trained using a larger-scale synthetic dataset generated from simulation. In addition to this, we propose an efficient approach to constructing a real-world dataset that facilitates grasp point detection on various objects with diverse characteristics. Experiment results show that the proposed method can grasp objects in cluttered bin-picking scenarios and prevent collisions with environmental constraints such as a corner of the bin. Our proposed method demonstrated its effectiveness in the 9th Robotic Grasping and Manipulation Competition (RGMC) held at ICRA 2024.
Authors: Aashiq Muhamed, Mona Diab, Virginia Smith
Abstract: Retrieval-Augmented Generation (RAG) models excel in knowledge-intensive tasks, especially under few-shot learning constraints. We introduce CoRAG, a framework extending RAG to collaborative settings, where clients jointly train a shared model using a collaborative passage store. To evaluate CoRAG, we introduce CRAB, a benchmark for collaborative homogeneous open-domain question answering. Our experiments demonstrate that CoRAG consistently outperforms both parametric collaborative learning methods and locally trained RAG models in low-resource scenarios. Further analysis reveals the critical importance of relevant passages within the shared store, the surprising benefits of incorporating irrelevant passages, and the potential for hard negatives to negatively impact performance. This introduces a novel consideration in collaborative RAG: the trade-off between leveraging a collectively enriched knowledge base and the potential risk of incorporating detrimental passages from other clients. Our findings underscore the viability of CoRAG, while also highlighting key design challenges and promising avenues for future research.
Authors: C\'elia Nouri, Jean-Philippe Cointet, Chlo\'e Clavel
Abstract: Detecting abusive language in social media conversations poses significant challenges, as identifying abusiveness often depends on the conversational context, characterized by the content and topology of preceding comments. Traditional Abusive Language Detection (ALD) models often overlook this context, which can lead to unreliable performance metrics. Recent Natural Language Processing (NLP) methods that integrate conversational context often depend on limited and simplified representations, and report inconsistent results. In this paper, we propose a novel approach that utilize graph neural networks (GNNs) to model social media conversations as graphs, where nodes represent comments, and edges capture reply structures. We systematically investigate various graph representations and context windows to identify the optimal configuration for ALD. Our GNN model outperform both context-agnostic baselines and linear context-aware methods, achieving significant improvements in F1 scores. These findings demonstrate the critical role of structured conversational context and establish GNNs as a robust framework for advancing context-aware abusive language detection.
Authors: Xingyu Ni, Jingrui Xing, Xingqiao Li, Bin Wang, Baoquan Chen
Abstract: Accurately reconstructing continuous flow fields from sparse or indirect measurements remains an open challenge, as existing techniques often suffer from oversmoothing artifacts, reliance on heterogeneous architectures, and the computational burden of enforcing physics-informed losses in implicit neural representations (INRs). In this paper, we introduce a novel flow field reconstruction framework based on divergence-free kernels (DFKs), which inherently enforce incompressibility while capturing fine structures without relying on hierarchical or heterogeneous representations. Through qualitative analysis and quantitative ablation studies, we identify the matrix-valued radial basis functions derived from Wendland's $\mathcal{C}^4$ polynomial (DFKs-Wen4) as the optimal form of analytically divergence-free approximation for velocity fields, owing to their favorable numerical properties, including compact support, positive definiteness, and second-order differentiablility. Experiments across various reconstruction tasks, spanning data compression, inpainting, super-resolution, and time-continuous flow inference, has demonstrated that DFKs-Wen4 outperform INRs and other divergence-free representations in both reconstruction accuracy and computational efficiency while requiring the fewest trainable parameters.
Authors: Andreas Panayiotou, Panayiotis Charalambous, Ioannis Karamouzas
Abstract: Over the past two decades, researchers have made significant advancements in simulating human crowds, yet these efforts largely focus on low-level tasks like collision avoidance and a narrow range of behaviors such as path following and flocking. However, creating compelling crowd scenes demands more than just functional movement-it requires capturing high-level interactions between agents, their environment, and each other over time. To address this issue, we introduce Gen-C, a generative model to automate the task of authoring high-level crowd behaviors. Gen-C bypasses the labor-intensive and challenging task of collecting and annotating real crowd video data by leveraging a large language model (LLM) to generate a limited set of crowd scenarios, which are subsequently expanded and generalized through simulations to construct time-expanded graphs that model the actions and interactions of virtual agents. Our method employs two Variational Graph Auto-Encoders guided by a condition prior network: one dedicated to learning a latent space for graph structures (agent interactions) and the other for node features (agent actions and navigation). This setup enables the flexible generation of dynamic crowd interactions. The trained model can be conditioned on natural language, empowering users to synthesize novel crowd behaviors from text descriptions. We demonstrate the effectiveness of our approach in two scenarios, a University Campus and a Train Station, showcasing its potential for populating diverse virtual environments with agents exhibiting varied and dynamic behaviors that reflect complex interactions and high-level decision-making patterns.
Authors: Boshi Wang, Huan Sun
Abstract: Despite their impressive capabilities, LLMs exhibit a basic generalization failure known as the Reversal Curse, where they struggle to learn reversible factual associations. Understanding why this occurs could help identify weaknesses in current models and advance their generalization and robustness. In this paper, we conjecture that the Reversal Curse in LLMs is a manifestation of the long-standing binding problem in cognitive science, neuroscience and AI. Specifically, we identify two primary causes of the Reversal Curse stemming from transformers' limitations in conceptual binding: the inconsistency and entanglements of concept representations. We perform a series of experiments that support these conjectures. Our exploration leads to a model design based on JEPA (Joint-Embedding Predictive Architecture) that for the first time breaks the Reversal Curse without side-stepping it with specialized data augmentation or non-causal masking, and moreover, generalization could be further improved by incorporating special memory layers that support disentangled concept representations. We demonstrate that the skill of reversal unlocks a new kind of memory integration that enables models to solve large-scale arithmetic reasoning problems via parametric forward-chaining, outperforming frontier LLMs based on non-parametric memory and prolonged explicit reasoning.
Authors: Tahmid Hasan Prato, Seijoon Kim, Lizhong Chen, Sanghyun Hong
Abstract: Deep neural networks are not resilient to parameter corruptions: even a single-bitwise error in their parameters in memory can cause an accuracy drop of over 10%, and in the worst cases, up to 99%. This susceptibility poses great challenges in deploying models on computing platforms, where adversaries can induce bit-flips through software or bitwise corruptions may occur naturally. Most prior work addresses this issue with hardware or system-level approaches, such as integrating additional hardware components to verify a model's integrity at inference. However, these methods have not been widely deployed as they require infrastructure or platform-wide modifications. In this paper, we propose a new approach to addressing this issue: training models to be more resilient to bitwise corruptions to their parameters. Our approach, Hessian-aware training, promotes models with $flatter$ loss surfaces. We show that, while there have been training methods, designed to improve generalization through Hessian-based approaches, they do not enhance resilience to parameter corruptions. In contrast, models trained with our method demonstrate increased resilience to parameter corruptions, particularly with a 20$-$50% reduction in the number of bits whose individual flipping leads to a 90$-$100% accuracy drop. Moreover, we show the synergy between ours and existing hardware and system-level defenses.
Authors: Mohini Anand, Xavier Tricoche
Abstract: Understanding the complex myocardial architecture is critical for diagnosing and treating heart disease. However, existing methods often struggle to accurately capture this intricate structure from Diffusion Tensor Imaging (DTI) data, particularly due to the lack of ground truth labels and the ambiguous, intertwined nature of fiber trajectories. We present a novel deep learning framework for unsupervised clustering of myocardial fibers, providing a data-driven approach to identifying distinct fiber bundles. We uniquely combine a Bidirectional Long Short-Term Memory network to capture local sequential information along fibers, with a Transformer autoencoder to learn global shape features, with pointwise incorporation of essential anatomical context. Clustering these representations using a density-based algorithm identifies 33 to 62 robust clusters, successfully capturing the subtle distinctions in fiber trajectories with varying levels of granularity. Our framework offers a new, flexible, and quantitative way to analyze myocardial structure, achieving a level of delineation that, to our knowledge, has not been previously achieved, with potential applications in improving surgical planning, characterizing disease-related remodeling, and ultimately, advancing personalized cardiac care.
Authors: Niluthpol Chowdhury Mithun, Tuan Pham, Qiao Wang, Ben Southall, Kshitij Minhas, Bogdan Matei, Stephan Mandt, Supun Samarasekera, Rakesh Kumar
Abstract: Recent advancements in 3D Gaussian Splatting (3DGS) and Neural Radiance Fields (NeRF) have achieved impressive results in real-time 3D reconstruction and novel view synthesis. However, these methods struggle in large-scale, unconstrained environments where sparse and uneven input coverage, transient occlusions, appearance variability, and inconsistent camera settings lead to degraded quality. We propose GS-Diff, a novel 3DGS framework guided by a multi-view diffusion model to address these limitations. By generating pseudo-observations conditioned on multi-view inputs, our method transforms under-constrained 3D reconstruction problems into well-posed ones, enabling robust optimization even with sparse data. GS-Diff further integrates several enhancements, including appearance embedding, monocular depth priors, dynamic object modeling, anisotropy regularization, and advanced rasterization techniques, to tackle geometric and photometric challenges in real-world settings. Experiments on four benchmarks demonstrate that GS-Diff consistently outperforms state-of-the-art baselines by significant margins.
Authors: Jathurshan Pradeepkumar, Mithunjha Anandakumar, Vinith Kugathasan, Dhinesh Suntharalingham, Simon L. Kappel, Anjula C. De Silva, Chamira U. S. Edussooriya
Abstract: Accurate sleep stage classification is significant for sleep health assessment. In recent years, several machine-learning based sleep staging algorithms have been developed , and in particular, deep-learning based algorithms have achieved performance on par with human annotation. Despite improved performance, a limitation of most deep-learning based algorithms is their black-box behavior, which have limited their use in clinical settings. Here, we propose a cross-modal transformer, which is a transformer-based method for sleep stage classification. The proposed cross-modal transformer consists of a novel cross-modal transformer encoder architecture along with a multi-scale one-dimensional convolutional neural network for automatic representation learning. Our method outperforms the state-of-the-art methods and eliminates the black-box behavior of deep-learning models by utilizing the interpretability aspect of the attention modules. Furthermore, our method provides considerable reductions in the number of parameters and training time compared to the state-of-the-art methods. Our code is available at https://github.com/Jathurshan0330/Cross-Modal-Transformer. A demo of our work can be found at https://bit.ly/Cross_modal_transformer_demo.
URLs: https://github.com/Jathurshan0330/Cross-Modal-Transformer., https://bit.ly/Cross_modal_transformer_demo.
Authors: Yuhang Liu, Zhen Zhang, Dong Gong, Mingming Gong, Biwei Huang, Anton van den Hengel, Kun Zhang, Javen Qinfeng Shi
Abstract: Multi-source domain adaptation (MSDA) addresses the challenge of learning a label prediction function for an unlabeled target domain by leveraging both the labeled data from multiple source domains and the unlabeled data from the target domain. Conventional MSDA approaches often rely on covariate shift or conditional shift paradigms, which assume a consistent label distribution across domains. However, this assumption proves limiting in practical scenarios where label distributions do vary across domains, diminishing its applicability in real-world settings. For example, animals from different regions exhibit diverse characteristics due to varying diets and genetics. Motivated by this, we propose a novel paradigm called latent covariate shift (LCS), which introduces significantly greater variability and adaptability across domains. Notably, it provides a theoretical assurance for recovering the latent cause of the label variable, which we refer to as the latent content variable. Within this new paradigm, we present an intricate causal generative model by introducing latent noises across domains, along with a latent content variable and a latent style variable to achieve more nuanced rendering of observational data. We demonstrate that the latent content variable can be identified up to block identifiability due to its versatile yet distinct causal structure. We anchor our theoretical insights into a novel MSDA method, which learns the label distribution conditioned on the identifiable latent content variable, thereby accommodating more substantial distribution shifts. The proposed approach showcases exceptional performance and efficacy on both simulated and real-world datasets.
Authors: Yaniv Oren, Villiam Vadocz, Matthijs T. J. Spaan, Wendelin B\"ohmer
Abstract: The AlphaZero/MuZero (A/MZ) family of algorithms has achieved remarkable success across various challenging domains by integrating Monte Carlo Tree Search (MCTS) with learned models. Learned models introduce epistemic uncertainty, which is caused by learning from limited data and is useful for exploration in sparse reward environments. MCTS does not account for the propagation of this uncertainty however. To address this, we introduce Epistemic MCTS (EMCTS): a theoretically motivated approach to account for the epistemic uncertainty in search and harness the search for deep exploration. In the challenging sparse-reward task of writing code in the Assembly language {\sc subleq}, AZ paired with our method achieves significantly higher sample efficiency over baseline AZ. Search with EMCTS solves variations of the commonly used hard-exploration benchmark Deep Sea - which baseline A/MZ are practically unable to solve - much faster than an otherwise equivalent method that does not use search for uncertainty estimation, demonstrating significant benefits from search for epistemic uncertainty estimation.
Authors: Eshaan Nichani, Alex Damian, Jason D. Lee
Abstract: One of the central questions in the theory of deep learning is to understand how neural networks learn hierarchical features. The ability of deep networks to extract salient features is crucial to both their outstanding generalization ability and the modern deep learning paradigm of pretraining and finetuneing. However, this feature learning process remains poorly understood from a theoretical perspective, with existing analyses largely restricted to two-layer networks. In this work we show that three-layer neural networks have provably richer feature learning capabilities than two-layer networks. We analyze the features learned by a three-layer network trained with layer-wise gradient descent, and present a general purpose theorem which upper bounds the sample complexity and width needed to achieve low test error when the target has specific hierarchical structure. We instantiate our framework in specific statistical learning settings -- single-index models and functions of quadratic features -- and show that in the latter setting three-layer networks obtain a sample complexity improvement over all existing guarantees for two-layer networks. Crucially, this sample complexity improvement relies on the ability of three-layer networks to efficiently learn nonlinear features. We then establish a concrete optimization-based depth separation by constructing a function which is efficiently learnable via gradient descent on a three-layer network, yet cannot be learned efficiently by a two-layer network. Our work makes progress towards understanding the provable benefit of three-layer neural networks over two-layer networks in the feature learning regime.
Authors: Anthony M. Polloreno
Abstract: Reservoir computation is a recurrent framework for learning and predicting time series data, that benefits from extremely simple training and interpretability, often as the the dynamics of a physical system. In this paper, we will study the impact of noise on the learning capabilities of analog reservoir computers. Recent work on reservoir computation has shown that the information processing capacity (IPC) is a useful metric for quantifying the degradation of the performance due to noise. We further this analysis and demonstrate that this degradation of the IPC limits the possible features that can be meaningfully constructed in an analog reservoir computing setting. We borrow a result from quantum complexity theory that relates the circuit model of computation to a continuous time model, and demonstrate an exponential reduction in the accessible volume of reservoir configurations. We conclude by relating this degradation in the IPC to the fat-shattering dimension of a family of functions describing the reservoir dynamics, which allows us to express our result in terms of a classification task. We conclude that any physical, analog reservoir computer that is exposed to noise can only be used to perform a polynomial amount of learning, despite the exponentially large latent space, even with an exponential amount of post-processing.
Authors: Elynn Chen, Xi Chen, Wenbo Jing
Abstract: In data-driven decision-making in marketing, healthcare, and education, it is desirable to utilize a large amount of data from existing ventures to navigate high-dimensional feature spaces and address data scarcity in new ventures. We explore knowledge transfer in dynamic decision-making by concentrating on batch stationary environments and formally defining task discrepancies through the lens of Markov decision processes (MDPs). We propose a framework of Transferred Fitted $Q$-Iteration algorithm with general function approximation, enabling the direct estimation of the optimal action-state function $Q^*$ using both target and source data. We establish the relationship between statistical performance and MDP task discrepancy under sieve approximation, shedding light on the impact of source and target sample sizes and task discrepancy on the effectiveness of knowledge transfer. We show that the final learning error of the $Q^*$ function is significantly improved from the single task rate both theoretically and empirically.
Authors: Keziah Naggita, Matthew R. Walter, Avrim Blum
Abstract: Recourse generators provide actionable insights, often through feature-based counterfactual explanations (CFEs), to help negatively classified individuals understand how to adjust their input features to achieve a positive classification. These feature-based CFEs, which we refer to as \emph{low-level} CFEs, are overly specific (e.g., coding experience: $4 \to 5+$ years) and often recommended in feature space that doesn't straightforwardly align with real-world actions. To bridge this gap, we introduce three novel recourse types grounded in real-world actions: high-level continuous (\emph{hl-continuous}), high-level discrete (\emph{hl-discrete}), and high-level ID (\emph{hl-id}) CFEs. We formulate single-agent CFE generation methods, where we model the hl-discrete CFE as a solution to a weighted set cover problem and the hl-continuous CFE as a solution to an integer linear program. Since these methods require costly optimization per agent, we propose data-driven CFE generation approaches that, given instances of agents and their optimal CFEs, learn a CFE generator that quickly provides optimal CFEs for new agents. This approach, also viewed as one of learning an optimal policy in a family of large but deterministic MDPs, considers several problem formulations, including formulations in which the actions and their effects are unknown, and therefore addresses informational and computational challenges. Through extensive empirical evaluation using publicly available healthcare datasets (BRFSS, Foods, and NHANES), we compare the proposed forms of recourse to low-level CFEs and assess the effectiveness of our data-driven approaches. Empirical results show that the proposed data-driven CFE generators are accurate and resource-efficient, and the proposed forms of recourse have various advantages over the low-level CFEs.
Authors: Peter J. Ehlers, Hendra I. Nurdin, Daniel Soh
Abstract: Reservoir computing is a form of machine learning that utilizes nonlinear dynamical systems to perform complex tasks in a cost-effective manner when compared to typical neural networks. Many recent advancements in reservoir computing, in particular quantum reservoir computing, make use of reservoirs that are inherently stochastic. However, the theoretical justification for using these systems has not yet been well established. In this paper, we investigate the universality of stochastic reservoir computers, in which we use a stochastic system for reservoir computing using the probabilities of each reservoir state as the readout instead of the states themselves. In stochastic reservoir computing, the number of distinct states of the entire reservoir computer can potentially scale exponentially with the size of the reservoir hardware, offering the advantage of compact device size. We prove that classes of stochastic echo state networks, and therefore the class of all stochastic reservoir computers, are universal approximating classes. We also investigate the performance of two practical examples of stochastic reservoir computers in classification and chaotic time series prediction. While shot noise is a limiting factor in the performance of stochastic reservoir computing, we show significantly improved performance compared to a deterministic reservoir computer with similar hardware in cases where the effects of noise are small.
Authors: Emanuele Troiani, Yatin Dandi, Leonardo Defilippis, Lenka Zdeborov\'a, Bruno Loureiro, Florent Krzakala
Abstract: Multi-index models - functions which only depend on the covariates through a non-linear transformation of their projection on a subspace - are a useful benchmark for investigating feature learning with neural nets. This paper examines the theoretical boundaries of efficient learnability in this hypothesis class, focusing on the minimum sample complexity required for weakly recovering their low-dimensional structure with first-order iterative algorithms, in the high-dimensional regime where the number of samples $n\!=\!\alpha d$ is proportional to the covariate dimension $d$. Our findings unfold in three parts: (i) we identify under which conditions a trivial subspace can be learned with a single step of a first-order algorithm for any $\alpha\!>\!0$; (ii) if the trivial subspace is empty, we provide necessary and sufficient conditions for the existence of an easy subspace where directions that can be learned only above a certain sample complexity $\alpha\!>\!\alpha_c$, where $\alpha_{c}$ marks a computational phase transition. In a limited but interesting set of really hard directions -- akin to the parity problem -- $\alpha_c$ is found to diverge. Finally, (iii) we show that interactions between different directions can result in an intricate hierarchical learning phenomenon, where directions can be learned sequentially when coupled to easier ones. We discuss in detail the grand staircase picture associated to these functions (and contrast it with the original staircase one). Our theory builds on the optimality of approximate message-passing among first-order iterative methods, delineating the fundamental learnability limit across a broad spectrum of algorithms, including neural networks trained with gradient descent, which we discuss in this context.
Authors: Yuxuan Shu, Vasileios Lampos
Abstract: In multivariable time series (MTS) forecasting, existing state-of-the-art deep learning approaches tend to focus on autoregressive formulations and often overlook the potential of using exogenous variables in enhancing the prediction of the target endogenous variable. To address this limitation, we present DeformTime, a neural network architecture that attempts to capture correlated temporal patterns from the input space, and hence, improve forecasting accuracy. It deploys two core operations performed by deformable attention blocks (DABs): learning dependencies across variables from different time steps (variable DAB), and preserving temporal dependencies in data from previous time steps (temporal DAB). Input data transformation is explicitly designed to enhance learning from the deformed series of information while passing through a DAB. We conduct extensive experiments on 6 MTS data sets, using previously established benchmarks as well as challenging infectious disease modelling tasks with more exogenous variables. The results demonstrate that DeformTime improves accuracy against previous competitive methods across the vast majority of MTS forecasting tasks, reducing the mean absolute error by 7.2% on average. Notably, performance gains remain consistent across longer forecasting horizons.
Authors: Dianhui Wang, Gang Dang
Abstract: Temporal data modelling techniques with neural networks are useful in many domain applications, including time-series forecasting and control engineering. This paper aims at developing a recurrent version of stochastic configuration networks (RSCNs) for problem solving, where we have no underlying assumption on the dynamic orders of the input variables. Given a collection of historical data, we first build an initial RSCN model in the light of a supervisory mechanism, followed by an online update of the output weights by using a projection algorithm. Some theoretical results are established, including the echo state property, the universal approximation property of RSCNs for both the offline and online learnings, and the convergence of the output weights. The proposed RSCN model is remarkably distinguished from the well-known echo state networks (ESNs) in terms of the way of assigning the input random weight matrix and a special structure of the random feedback matrix. A comprehensive comparison study among the long short-term memory (LSTM) network, the original ESN, and several state-of-the-art ESN methods such as the simple cycle reservoir (SCR), the polynomial ESN (PESN), the leaky-integrator ESN (LIESN) and RSCN is carried out. Numerical results clearly indicate that the proposed RSCN performs favourably over all of the datasets.
Authors: Aur\'elien Renault, Alexis Bondu, Antoine Cornu\'ejols, Vincent Lemaire
Abstract: In many situations, the measurements of a studied phenomenon are provided sequentially, and the prediction of its class needs to be made as early as possible so as not to incur too high a time penalty, but not too early and risk paying the cost of misclassification. This problem has been particularly studied in the case of time series, and is known as Early Classification of Time Series (ECTS). Although it has been the subject of a growing body of literature, there is still a lack of a systematic, shared evaluation protocol to compare the relative merits of the various existing methods. This document begins by situating these methods within a principle-based taxonomy. It defines dimensions for organizing their evaluation, and then reports the results of a very extensive set of experiments along these dimensions involving nine state-of-the art ECTS algorithms. In addition, these and other experiments can be carried out using an open-source library in which most of the existing ECTS algorithms have been implemented (see https://github.com/ML-EDM/ml_edm).
Authors: Nils Graef, Matthew Clapp, Andrew Wasielewski
Abstract: RMSNorm is used by many LLMs such as Llama, Mistral, and OpenELM. This paper details FlashNorm, which is an exact but faster implementation of RMSNorm followed by linear layers. FlashNorm also speeds up Layer Normalization and its recently proposed replacement Dynamic Tanh (DyT) arXiv:2503.10622. See https://github.com/OpenMachine-ai/transformer-tricks for code and more transformer tricks.
Authors: Ingrid Navarro, Pablo Ortega-Kral, Jay Patrikar, Haichuan Wang, Alonso Cano, Zelin Ye, Jong Hoon Park, Jean Oh, Sebastian Scherer
Abstract: The growing demand for air travel necessitates advancements in air traffic management technologies to ensure safe and efficient operations. Predictive models for terminal airspace can help anticipate future movements and traffic flows, enabling proactive planning for efficient coordination, collision risk assessment, taxi-out time prediction, departure metering, and emission estimations. Although data-driven predictive models have shown promise in tackling some of these challenges, the absence of large-scale curated surface movement datasets in the public domain has hindered the development of scalable and generalizable approaches. In this context, we propose the Amelia framework, which consists of four key contributions. First, Amelia-48, a large dataset of airport surface movement collected through the FAA's System Wide Information Management (SWIM) Program. This dataset includes over two years' worth of trajectory data (~70TB) across 48 US airports and map data. Second, we develop AmeliaTF, a large transformer-based baseline for multi-agent, multi-airport trajectory forecasting. Third, we propose Amelia-10, a training and evaluation benchmark consisting of 292 days of post-processed data from 10 different airports and a series of experiments to promote the development of foundation models in aviation. We provide baseline results across our benchmark using AmeliaTF. Finally, we release our framework and tools to encourage further aviation research in the forecasting domain and beyond at https://ameliacmu.github.io
Authors: Chu Zhao, Enneng Yang, Yuliang Liang, Pengxiang Lan, Yuting Liu, Jianzhe Zhao, Guibing Guo, Xingwei Wang
Abstract: Graph Neural Networks (GNNs)-based recommendation algorithms typically assume that training and testing data are drawn from independent and identically distributed (IID) spaces. However, this assumption often fails in the presence of out-of-distribution (OOD) data, resulting in significant performance degradation. In this study, we construct a Structural Causal Model (SCM) to analyze interaction data, revealing that environmental confounders (e.g., the COVID-19 pandemic) lead to unstable correlations in GNN-based models, thus impairing their generalization to OOD data. To address this issue, we propose a novel approach, graph representation learning via causal diffusion (CausalDiffRec) for OOD recommendation. This method enhances the model's generalization on OOD data by eliminating environmental confounding factors and learning invariant graph representations. Specifically, we use backdoor adjustment and variational inference to infer the real environmental distribution, thereby eliminating the impact of environmental confounders. This inferred distribution is then used as prior knowledge to guide the representation learning in the reverse phase of the diffusion process to learn the invariant representation. In addition, we provide a theoretical derivation that proves optimizing the objective function of CausalDiffRec can encourage the model to learn environment-invariant graph representations, thereby achieving excellent generalization performance in recommendations under distribution shifts. Our extensive experiments validate the effectiveness of CausalDiffRec in improving the generalization of OOD data, and the average improvement is up to 10.69% on Food, 18.83% on KuaiRec, 22.41% on Yelp2018, and 11.65% on Douban datasets.
Authors: Fenglei Fan, Juntong Fan, Dayang Wang, Jingbo Zhang, Zelin Dong, Shijun Zhang, Ge Wang, Tieyong Zeng
Abstract: The rapid growth of large models' size has far outpaced that of computing resources. To bridge this gap, encouraged by the parsimonious relationship between genotype and phenotype in the brain's growth and development, we propose the so-called hyper-compression that turns the model compression into the issue of parameter representation via a hyperfunction. Specifically, it is known that the trajectory of some low-dimensional dynamic systems can fill the high-dimensional space eventually. Thus, hyper-compression, using these dynamic systems as the hyperfunctions, represents the parameters of the target network by their corresponding composition number or trajectory length. This suggests a novel mechanism for model compression, substantially different from the existing pruning, quantization, distillation, and decomposition. Along this direction, we methodologically identify a suitable dynamic system with the irrational winding as the hyperfunction and theoretically derive its associated error bound. Next, guided by our theoretical insights, we propose several engineering twists to make the hyper-compression pragmatic and effective. Lastly, systematic and comprehensive experiments confirm that hyper-compression enjoys the following \textbf{PNAS} merits: 1) \textbf{P}referable compression ratio; 2) \textbf{N}o post-hoc retraining; 3) \textbf{A}ffordable inference time; and 4) \textbf{S}hort compression time. It compresses LLaMA2-7B in an hour and achieves close-to-int4-quantization performance, without retraining and with a performance drop of less than 1\%. We have open-sourced our code in https://github.com/Juntongkuki/Hyper-Compression.git for free download and evaluation.
Authors: Saber Malekmohammadi, Golnoosh Farnadi
Abstract: A significant approach in natural language processing involves large-scale pre-training of models on general domain data followed by their adaptation to specific tasks or domains. As models grow in size, full fine-tuning all of their parameters becomes increasingly impractical. To address this, some methods for low-rank task adaptation of language models have been proposed, e.g., LoRA and FLoRA. These methods keep the pre-trained model weights fixed and incorporate trainable low-rank decomposition matrices into some layers of the transformer architecture, called adapters. This approach significantly reduces the number of trainable parameters required for downstream tasks compared to full fine-tuning all parameters. In this work, we look at low-rank adaptation from the lens of data privacy. We show theoretically that the low-rank adaptation used in LoRA and FLoRA leads to the injection of some random noise into the batch gradients w.r.t the adapter parameters. We quantify the variance of the injected noise and show that the smaller the adaptation rank, the larger the noise variance. By establishing a Berry-Esseen type bound on the total variation distance between distribution of the injected noise and a Gaussian distribution with the same variance, we show that the dynamics of low-rank adaptation is close to that of differentially private fine-tuning of the adapters. Finally, using Johnson-Lindenstrauss lemma, we show that when augmented with gradient scaling, low-rank adaptation is very close to performing DPSGD algorithm with a fixed noise scale to fine-tune the adapters. Suggested by our theoretical findings and approved by our experimental results, we show that low-rank adaptation, besides mitigating the space and computational complexities, implicitly provides a privacy protection w.r.t the fine-tuning data, without inducing the high space complexity of DPSGD.
Authors: Minh Le, Chau Nguyen, Huy Nguyen, Quyen Tran, Trung Le, Nhat Ho
Abstract: Prompt-based techniques, such as prompt-tuning and prefix-tuning, have gained prominence for their efficiency in fine-tuning large pre-trained models. Despite their widespread adoption, the theoretical foundations of these methods remain limited. For instance, in prefix-tuning, we observe that a key factor in achieving performance parity with full fine-tuning lies in the reparameterization strategy. However, the theoretical principles underpinning the effectiveness of this approach have yet to be thoroughly examined. Our study demonstrates that reparameterization is not merely an engineering trick but is grounded in deep theoretical foundations. Specifically, we show that the reparameterization strategy implicitly encodes a shared structure between prefix key and value vectors. Building on recent insights into the connection between prefix-tuning and mixture of experts models, we further illustrate that this shared structure significantly improves sample efficiency in parameter estimation compared to non-shared alternatives. The effectiveness of prefix-tuning across diverse tasks is empirically confirmed to be enhanced by the shared structure, through extensive experiments in both visual and language domains. Additionally, we uncover similar structural benefits in prompt-tuning, offering new perspectives on its success. Our findings provide theoretical and empirical contributions, advancing the understanding of prompt-based methods and their underlying mechanisms.
Authors: Yihong Dong, Ge Li, Yongding Tao, Xue Jiang, Kechi Zhang, Jia Li, Jinliang Deng, Jing Su, Jun Zhang, Jingjing Xu
Abstract: Despite the remarkable successes of general-purpose neural networks, such as MLPs and Transformers, we find that they exhibit notable shortcomings in modeling and reasoning about periodic phenomena, achieving only marginal performance within the training domain and failing to generalize effectively to out-of-domain (OOD) scenarios. Periodicity is ubiquitous throughout nature and science. Therefore, neural networks should be equipped with the essential ability to model and handle periodicity. In this work, we propose FAN, a novel general-purpose neural network that offers broad applicability similar to MLP while effectively addressing periodicity modeling challenges. Periodicity is naturally integrated into FAN's structure and computational processes by introducing the Fourier Principle. Unlike existing Fourier-based networks, which possess particular periodicity modeling abilities but are typically designed for specific tasks, our approach maintains the general-purpose modeling capability. Therefore, FAN can seamlessly replace MLP in various model architectures with fewer parameters and FLOPs. Through extensive experiments, we demonstrate the superiority of FAN in periodicity modeling tasks and the effectiveness and generalizability of FAN across a range of real-world tasks, e.g., symbolic formula representation, time series forecasting, language modeling, and image recognition.
Authors: Kaleb D. Ruscitti, Leland McInnes
Abstract: We propose a modification of the Mapper algorithm that removes the assumption of a single resolution scale across semantic space and improves the robustness of the results under change of parameters. Our work is motivated by datasets where the density in the image of the Morse-type function (the lens-space density) varies widely. For such datasets, tuning the resolution parameter of Mapper is difficult because small changes can lead to significant variations in the output. By improving the robustness of the output under these variations, our method makes it easier to tune the resolution for datasets with highly variable lens-space density. This improvement is achieved by generalising the type of permitted cover for Mapper and incorporating the lens-space density into the cover. Furthermore, we prove that for covers satisfying natural assumptions, the graph produced by Mapper still converges in bottleneck distance to the Reeb graph of the Rips complex of the data, while possibly capturing more topological features than a standard Mapper cover. Finally, we discuss implementation details and present the results of computational experiments. We also provide an accompanying reference implementation.
Authors: Alex Iacob, Lorenzo Sani, Meghdad Kurmanji, William F. Shen, Xinchi Qiu, Dongqi Cai, Yan Gao, Nicholas D. Lane
Abstract: Language Model pre-training uses broad data mixtures to enhance performance across domains and languages. However, training on such heterogeneous text corpora requires extensive and expensive efforts. Since these data sources vary significantly in lexical, syntactic, and semantic aspects, they cause negative interference or the ``curse of multilinguality''. To address these challenges we propose a communication-efficient pre-training framework, DEPT. Our method decouples embeddings from the transformer body while simultaneously training the latter on multiple data sources without requiring a shared vocabulary. DEPT can: (1) train robustly and effectively under significant data heterogeneity, (2) minimize token embedding parameters to only what the data source vocabulary requires, while cutting communication costs in direct proportion to both the communication frequency and the reduction in parameters, (3) enhance transformer body plasticity and generalization, improving both average perplexity (up to 20%) and downstream task performance, and (4) enable training with custom optimized vocabularies per data source. We demonstrate DEPT's potential via the first vocabulary-agnostic federated pre-training of billion-scale models, reducing communication costs by orders of magnitude and embedding memory by 4-5x.
Authors: Aida Mohammadshahi, Yani Ioannou
Abstract: Knowledge Distillation is a commonly used Deep Neural Network (DNN) compression method, which often maintains overall generalization performance. However, we show that even for balanced image classification datasets, such as CIFAR-100, Tiny ImageNet and ImageNet, as many as 41% of the classes are statistically significantly affected by distillation when comparing class-wise accuracy (i.e. class bias) between a teacher/distilled student or distilled student/non-distilled student model. Changes in class bias are not necessarily an undesirable outcome when considered outside of the context of a model's usage. Using two common fairness metrics, Demographic Parity Difference (DPD) and Equalized Odds Difference (EOD) on models trained with the CelebA, Trifeature, and HateXplain datasets, our results suggest that increasing the distillation temperature improves the distilled student model's fairness, and the distilled student fairness can even surpass the fairness of the teacher model at high temperatures. Additionally, we examine individual fairness, ensuring similar instances receive similar predictions. Our results confirm that higher temperatures also improve the distilled student model's individual fairness. This study highlights the uneven effects of distillation on certain classes and its potentially significant role in fairness, emphasizing that caution is warranted when using distilled models for sensitive application domains.
Authors: Yongjin Yang, Sihyeon Kim, Hojung Jung, Sangmin Bae, SangMook Kim, Se-Young Yun, Kimin Lee
Abstract: Fine-tuning text-to-image diffusion models with human feedback is an effective method for aligning model behavior with human intentions. However, this alignment process often suffers from slow convergence due to the large size and noise present in human feedback datasets. In this work, we propose FiFA, a novel automated data filtering algorithm designed to enhance the fine-tuning of diffusion models using human feedback datasets with direct preference optimization (DPO). Specifically, our approach selects data by solving an optimization problem to maximize three components: preference margin, text quality, and text diversity. The concept of preference margin is used to identify samples that are highly informative in addressing the noisy nature of feedback dataset, which is calculated using a proxy reward model. Additionally, we incorporate text quality, assessed by large language models to prevent harmful contents, and consider text diversity through a k-nearest neighbor entropy estimator to improve generalization. Finally, we integrate all these components into an optimization process, with approximating the solution by assigning importance score to each data pair and selecting the most important ones. As a result, our method efficiently filters data automatically, without the need for manual intervention, and can be applied to any large-scale dataset. Experimental results show that FiFA significantly enhances training stability and achieves better performance, being preferred by humans 17% more, while using less than 0.5% of the full data and thus 1% of the GPU hours compared to utilizing full human feedback datasets.
Authors: Naveen Gupta, Medha Sawhney, Arka Daw, Youzuo Lin, Anuj Karpatne
Abstract: In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and inverse problems are computationally prohibitive, there is a growing interest in leveraging recent advances in deep learning to learn the mapping between velocity maps and seismic waveform images directly from data. Despite the variety of architectures explored in previous works, several open questions still remain unanswered such as the effect of latent space sizes, the importance of manifold learning, the complexity of translation models, and the value of jointly solving forward and inverse problems. We propose a unified framework to systematically characterize prior research in this area termed the Generalized Forward-Inverse (GFI) framework, building on the assumption of manifolds and latent space translations. We show that GFI encompasses previous works in deep learning for subsurface imaging, which can be viewed as specific instantiations of GFI. We also propose two new model architectures within the framework of GFI: Latent U-Net and Invertible X-Net, leveraging the power of U-Nets for domain translation and the ability of IU-Nets to simultaneously learn forward and inverse translations, respectively. We show that our proposed models achieve state-of-the-art (SOTA) performance for forward and inverse problems on a wide range of synthetic datasets, and also investigate their zero-shot effectiveness on two real-world-like datasets. Our code is available at https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI
URLs: https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI
Authors: Francisco Erivaldo Fernandes Junior, Antti Oulasvirta
Abstract: Developing a reinforcement learning (RL) agent often involves identifying values for numerous parameters, covering the policy, reward function, environment, and agent-internal architecture. Since these parameters are interrelated in complex ways, optimizing them is a black-box problem that proves especially challenging for nonexperts. Although existing optimization-as-a-service platforms (e.g., Vizier and Optuna) can handle such problems, they are impractical for RL systems, since the need for manual user mapping of each parameter to distinct components makes the effort cumbersome. It also requires understanding of the optimization process, limiting the systems' application beyond the machine learning field and restricting access in areas such as cognitive science, which models human decision-making. To tackle these challenges, the paper presents AgentForge, a flexible low-code platform to optimize any parameter set across an RL system. Available at https://github.com/feferna/AgentForge, it allows an optimization problem to be defined in a few lines of code and handed to any of the interfaced optimizers. With AgentForge, the user can optimize the parameters either individually or jointly. The paper presents an evaluation of its performance for a challenging vision-based RL problem.
Authors: Chuanqi Chen, Nan Chen, Yinling Zhang, Jin-Long Wu
Abstract: Deep learning is widely used to predict complex dynamical systems in many scientific and engineering areas. However, the black-box nature of these deep learning models presents significant challenges for carrying out simultaneous data assimilation (DA), which is a crucial technique for state estimation, model identification, and reconstructing missing data. Integrating ensemble-based DA methods with nonlinear deep learning models is computationally expensive and may suffer from large sampling errors. To address these challenges, we introduce a deep learning framework designed to simultaneously provide accurate forecasts and efficient DA. It is named Conditional Gaussian Koopman Network (CGKN), which transforms general nonlinear systems into nonlinear neural differential equations with conditional Gaussian structures. CGKN aims to retain essential nonlinear components while applying systematic and minimal simplifications to facilitate the development of analytic formulae for nonlinear DA. This allows for seamless integration of DA performance into the deep learning training process, eliminating the need for empirical tuning as required in ensemble methods. CGKN compensates for structural simplifications by lifting the dimension of the system, which is motivated by Koopman theory. Nevertheless, CGKN exploits special nonlinear dynamics within the lifted space. This enables the model to capture extreme events and strong non-Gaussian features in joint and marginal distributions with appropriate uncertainty quantification. We demonstrate the effectiveness of CGKN for both prediction and DA on three strongly nonlinear and non-Gaussian turbulent systems: the projected stochastic Burgers-Sivashinsky equation, the Lorenz 96 system, and the El Ni\~no-Southern Oscillation. The results justify the robustness and computational efficiency of CGKN.
Authors: Nikolaos Tsilivis, Gal Vardi, Julia Kempe
Abstract: We study the implicit bias of the general family of steepest descent algorithms with infinitesimal learning rate in deep homogeneous neural networks. We show that: (a) an algorithm-dependent geometric margin starts increasing once the networks reach perfect training accuracy, and (b) any limit point of the training trajectory corresponds to a KKT point of the corresponding margin-maximization problem. We experimentally zoom into the trajectories of neural networks optimized with various steepest descent algorithms, highlighting connections to the implicit bias of popular adaptive methods (Adam and Shampoo).
Authors: Yonas Sium, Qi Li
Abstract: Graph Neural Networks (GNNs) have become the leading approach for addressing graph analytical problems in various real-world scenarios. However, GNNs may produce biased predictions against certain demographic subgroups due to node attributes and neighbors surrounding a node. Most current research on GNN fairness focuses predominantly on debiasing GNNs using oversimplified fairness evaluation metrics, which can give a misleading impression of fairness. Understanding the potential evaluation paradoxes due to the complicated nature of the graph structure is crucial for developing effective GNN debiasing mechanisms. In this paper, we examine the effectiveness of current GNN debiasing methods in terms of unfairness evaluation. Specifically, we introduce a community-level strategy to measure bias in GNNs and evaluate debiasing methods at this level. Further, We introduce ComFairGNN, a novel framework designed to mitigate community-level bias in GNNs. Our approach employs a learnable coreset-based debiasing function that addresses bias arising from diverse local neighborhood distributions during GNNs neighborhood aggregation. Comprehensive evaluations on three benchmark datasets demonstrate our model's effectiveness in both accuracy and fairness metrics.
Authors: Gaoxiang Zhao, Li Zhou, Xiaoqiang Wang
Abstract: Long-term time series forecasting focuses on leveraging historical data to predict future trends. The core challenge lies in effectively modeling dependencies both within sequences and channels. Convolutional Neural Networks and Linear models often excel in sequence modeling but frequently fall short in capturing complex channel dependencies. In contrast, Transformer-based models, with their attention mechanisms applied to both sequences and channels, have demonstrated strong predictive performance. Our research proposes a new approach for capturing sequence and channel dependencies: AverageTime, an exceptionally simple yet effective structure. By employing mixed channel embedding and averaging operations, AverageTime separately captures correlations for sequences and channels through channel mapping and result averaging. In addition, we integrate clustering methods to further accelerate the model's training process. Experiments on real-world datasets demonstrate that AverageTime surpasses state-of-the-art models in predictive performance while maintaining efficiency comparable to lightweight linear models. This provides a new and effective framework for modeling long time series.
Authors: Yuanchao Xu, Kaidi Shao, Nikos Logothetis, Zhongwei Shen
Abstract: Analyzing long-term behaviors in high-dimensional nonlinear dynamical systems remains challenging, with the Koopman operator framework providing a powerful global linearization approach, though existing methods for approximating its spectral components often suffer from theoretical limitations and reliance on predefined dictionaries. While Residual Dynamic Mode Decomposition (ResDMD) introduced the spectral residual to assess the accuracy of Koopman operator approximation, its only filters precomputed spectra, which prevents it from fully discovering the Koopman operator's complete spectral information (a limitation sometimes referred to as the 'spectral inclusion' problem). We introduce ResKoopNet (Residual-based Koopman-learning Network), a novel method that addresses this limitation by explicitly minimizing the spectral residual to compute Koopman eigenpairs, which can identify a more precise and complete spectrum of the Koopman operator. This approach provides theoretical guarantees while maintaining computational adaptability through a neural network implementation. Experiments on physical and biological systems demonstrate ResKoopNet's superior accuracy in spectral approximation compared to existing methods, particularly for systems with continuous spectra and high dimensional, which makes it as an effective tool for analyzing complex dynamical systems.
Authors: Samuel Soo, Chen Guang, Wesley Teng, Chandrasekaran Balaganesh, Tan Guoxian, Yan Ming
Abstract: Effective and reliable control over large language model (LLM) behavior is a significant challenge. While activation steering methods, which add steering vectors to a model's hidden states, are a promising approach, existing techniques often lack precision and interpretability in how they influence model outputs. We introduce Feature Guided Activation Additions (FGAA), a novel activation steering method that leverages insights from Contrastive Activation Addition (CAA) and Sparse Autoencoder-Targeted Steering (SAE-TS). By operating in the latent space of a Sparse Autoencoder (SAE) and employing optimization techniques to select desired SAE features, FGAA constructs precise steering vectors that provide better steering effects while maintaining coherence of steered model outputs. In this regard, evaluations on Gemma-2-2B and Gemma-2-9B models across various steering tasks demonstrate that FGAA outperforms existing steering methods of CAA, SAE decoder steering, and SAE-TS. Our results also highlight important trade-offs between steering scale and general model capabilities that are consistent across all tested steering methods.
Authors: Aleksandar Vujinovic, Aleksandar Kovacevic
Abstract: Learning efficient representations for decision-making policies is a challenge in imitation learning (IL). Current IL methods require expert demonstrations, which are expensive to collect. Consequently, they often have underdeveloped world models. Self-supervised learning (SSL) offers an alternative by allowing models to learn from diverse, unlabeled data, including failures. However, SSL methods often operate in raw input space, making them inefficient. In this work, we propose ACT-JEPA, a novel architecture that integrates IL and SSL to enhance policy representations. We train a policy to predict (1) action sequences and (2) abstract observation sequences. The first objective uses action chunking to improve action prediction and reduce compounding errors. The second objective extends this idea of chunking by predicting abstract observation sequences. We utilize Joint-Embedding Predictive Architecture to predict in abstract representation space, allowing the model to filter out irrelevant details, improve efficiency, and develop a robust world model. Our experiments show that ACT-JEPA improves the quality of representations by learning temporal environment dynamics. Additionally, the model's ability to predict abstract observation sequences results in representations that effectively generalize to action sequence prediction. ACT-JEPA performs on par with established baselines across a range of decision-making tasks.
Authors: Svein Anders Tunheim, Yujin Zheng, Lei Jiao, Rishad Shafik, Alex Yakovlev, Ole-Christoffer Granmo
Abstract: We present an all-digital programmable machine learning accelerator chip for image classification, underpinning on the Tsetlin machine (TM) principles. The TM is an emerging machine learning algorithm founded on propositional logic, utilizing sub-pattern recognition expressions called clauses. The accelerator implements the coalesced TM version with convolution, and classifies booleanized images of 28$\times$28 pixels with 10 categories. A configuration with 128 clauses is used in a highly parallel architecture. Fast clause evaluation is achieved by keeping all clause weights and Tsetlin automata (TA) action signals in registers. The chip is implemented in a 65 nm low-leakage CMOS technology, and occupies an active area of 2.7 mm$^2$. At a clock frequency of 27.8 MHz, the accelerator achieves 60.3k classifications per second, and consumes 8.6 nJ per classification. This demonstrates the energy-efficiency of the TM, which was the main motivation for developing this chip. The latency for classifying a single image is 25.4 $\mu$s which includes system timing overhead. The accelerator achieves 97.42%, 84.54% and 82.55% test accuracies for the datasets MNIST, Fashion-MNIST and Kuzushiji-MNIST, respectively, matching the TM software models.
Authors: Arnaud Bougaham, Beno\^it Fr\'enay
Abstract: Anomaly Detection is a crucial step for critical applications such in the industrial, medical or cybersecurity domains. These sectors share the same requirement of handling differently the different types of classification errors. Indeed, even if false positives are acceptable, false negatives are not, because it would reflect a missed detection of a quality issue, a disease or a cyber threat. To fulfill this requirement, we propose a method that dynamically applies a trustworthy approximated partial AUC ROC loss (tapAUC). A binary classifier is trained to optimize the specific range of the AUC ROC curve that prevents the True Positive Rate (TPR) to reach 100% while minimizing the False Positive Rate (FPR). The optimal threshold that does not trigger any false negative is then kept and used at the test step. The results show a TPR of 92.52% at a 20.43% FPR for an average across 6 datasets, representing a TPR improvement of 4.3% for a FPR cost of 12.2% against other state-of-the-art methods. The code is available at https://github.com/ArnaudBougaham/tapAUC.
Authors: Vibeke Binz Vallevik, Serena Elizabeth Marshall, Aleksandar Babic, Jan Franz Nygaard
Abstract: Synthetic data is gaining traction as a cost-effective solution for the increasing data demands of AI development and can be generated either from existing knowledge or derived data captured from real-world events. The source of the synthetic data generation and the technique used significantly impacts its residual privacy risk and therefore its opportunity for sharing. Traditional classification of synthetic data types no longer fit the newer generation techniques and there is a need to better align the classification with practical needs. We suggest a new way of grouping synthetic data types that better supports privacy evaluations to aid regulatory policymaking. Our novel classification provides flexibility to new advancements like deep generative methods and offers a more practical framework for future applications.
Authors: Kanghui Ning, Zijie Pan, Yu Liu, Yushan Jiang, James Y. Zhang, Kashif Rasul, Anderson Schneider, Lintao Ma, Yuriy Nevmyvaka, Dongjin Song
Abstract: Recently, Large Language Models (LLMs) and Foundation Models (FMs) have become prevalent for time series forecasting tasks. However, fine-tuning large language models (LLMs) for forecasting enables the adaptation to specific domains but may not generalize well across diverse, unseen datasets. Meanwhile, existing time series foundation models (TSFMs) lack inherent mechanisms for domain adaptation and suffer from limited interpretability, making them suboptimal for zero-shot forecasting. To this end, we present TS-RAG, a retrieval-augmented generation based time series forecasting framework that enhances the generalization capability and interpretability of TSFMs. Specifically, TS-RAG leverages pre-trained time series encoders to retrieve semantically relevant time series segments from a dedicated knowledge database, incorporating contextual patterns for the given time series query. Next, we develop a learnable Mixture-of-Experts (MoE)-based augmentation module, which dynamically fuses retrieved time series patterns with the TSFM's representation of the input query, improving forecasting accuracy without requiring task-specific fine-tuning. Thorough empirical studies on seven public benchmark datasets demonstrate that TS-RAG achieves state-of-the-art zero-shot forecasting performance, outperforming TSFMs by up to 6.51% across diverse domains and showcasing desired interpretability.
Authors: Nicolas Espinosa-Dice, Sanjiban Choudhury, Wen Sun, Gokul Swamy
Abstract: We consider the problem of imitation learning under misspecification: settings where the learner is fundamentally unable to replicate expert behavior everywhere. This is often true in practice due to differences in observation space and action space expressiveness (e.g. perceptual or morphological differences between robots and humans). Given the learner must make some mistakes in the misspecified setting, interaction with the environment is fundamentally required to figure out which mistakes are particularly costly and lead to compounding errors. However, given the computational cost and safety concerns inherent in interaction, we'd like to perform as little of it as possible while ensuring we've learned a strong policy. Accordingly, prior work has proposed a flavor of efficient inverse reinforcement learning algorithms that merely perform a computationally efficient local search procedure with strong guarantees in the realizable setting. We first prove that under a novel structural condition we term reward-agnostic policy completeness, these sorts of local-search based IRL algorithms are able to avoid compounding errors. We then consider the question of where we should perform local search in the first place, given the learner may not be able to "walk on a tightrope" as well as the expert in the misspecified setting. We prove that in the misspecified setting, it is beneficial to broaden the set of states on which local search is performed to include those reachable by good policies the learner can actually play. We then experimentally explore a variety of sources of misspecification and how offline data can be used to effectively broaden where we perform local search from.
Authors: Dmitry B. Rokhlin, Olga V. Gurtovaya
Abstract: We introduce a novel multi-kernel learning algorithm, VAW$^2$, for online least squares regression in reproducing kernel Hilbert spaces (RKHS). VAW$^2$ leverages random Fourier feature-based functional approximation and the Vovk-Azoury-Warmuth (VAW) method in a two-level procedure: VAW is used to construct expert strategies from random features generated for each kernel at the first level, and then again to combine their predictions at the second level. A theoretical analysis yields a regret bound of $O(T^{1/2}\ln T)$ in expectation with respect to artificial randomness, when the number of random features scales as $T^{1/2}$. Empirical results on some benchmark datasets demonstrate that VAW$^2$ achieves superior performance compared to the existing online multi-kernel learning algorithms: Raker and OMKL-GF, and to other theoretically grounded method methods involving convex combination of expert predictions at the second level.
Authors: Wei Shen, Guanlin Liu, Zheng Wu, Ruofei Zhu, Qingping Yang, Chao Xin, Yu Yue, Lin Yan
Abstract: Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning large language models with human preferences. While recent research has focused on algorithmic improvements, the importance of prompt-data construction has been overlooked. This paper addresses this gap by exploring data-driven bottlenecks in RLHF performance scaling, particularly reward hacking and decreasing response diversity. We introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM) to mitigate reward hacking. We also propose a novel prompt-selection method, Pre-PPO, to maintain response diversity and enhance learning effectiveness. Additionally, we find that prioritizing mathematical and coding tasks early in RLHF training significantly improves performance. Experiments across two model sizes validate our methods' effectiveness and scalability. Results show that RTV is most resistant to reward hacking, followed by GenRM with ground truth, and then GenRM with SFT Best-of-N responses. Our strategies enable rapid capture of subtle task-specific distinctions, leading to substantial improvements in overall RLHF performance. This work highlights the importance of careful data construction and provides practical methods to overcome performance barriers in RLHF.
Authors: Mattia Opper, Roland Fernandez, Paul Smolensky, Jianfeng Gao
Abstract: Transformers struggle with length generalisation, displaying poor performance even on basic tasks. We test whether these limitations can be explained through two key failures of the self-attention mechanism. The first is the inability to fully remove irrelevant information. The second is tied to position, even if the dot product between a key and query is highly negative (i.e. an irrelevant key) learned positional biases may unintentionally up-weight such information - dangerous when distances become out of distribution. Put together, these two failure cases lead to compounding generalisation difficulties. We test whether they can be mitigated through the combination of a) selective sparsity - completely removing irrelevant keys from the attention softmax and b) contextualised relative distance - distance is only considered as between the query and the keys that matter. We show how refactoring the attention mechanism with these two mitigations in place can substantially improve generalisation capabilities of decoder only transformers.
Authors: Niall O'Sullivan, Licio Romao, Kostas Margellos
Abstract: Conformal prediction and scenario optimization constitute two important classes of statistical learning frameworks to certify decisions made using data. They have found numerous applications in control theory, machine learning and robotics. Despite intense research in both areas, and apparently similar results, a clear connection between these two frameworks has not been established. By focusing on the so-called vanilla conformal prediction, we show rigorously how to choose appropriate score functions and set predictor map to recover well-known bounds on the probability of constraint violation associated with scenario programs. We also show how to treat ranking of nonconformity scores as a one-dimensional scenario program with discarded constraints, and use such connection to recover vanilla conformal prediction guarantees on the validity of the set predictor. We also capitalize on the main developments of the scenario approach, and show how we could analyze calibration conditional conformal prediction under this lens. Our results establish a theoretical bridge between conformal prediction and scenario optimization.
Authors: James A. D. Gardner, Will Rowan, William A. P. Smith
Abstract: In this paper, we introduce NeuRaLaTeX, which we believe to be the first deep learning library written entirely in LaTeX. As part of your LaTeX document you can specify the architecture of a neural network and its loss functions, define how to generate or load training data, and specify training hyperparameters and experiments. When the document is compiled, the LaTeX compiler will generate or load training data, train the network, run experiments, and generate figures. This paper generates a random 100 point spiral dataset, trains a two layer MLP on it, evaluates on a different random spiral dataset, produces plots and tables of results. The paper took 48 hours to compile and the entire source code for NeuRaLaTeX is contained within the source code of the paper. We propose two new metrics: the Written In Latex (WIL) metric measures the proportion of a machine learning library that is written in pure LaTeX, while the Source Code Of Method in Source Code of Paper (SCOMISCOP) metric measures the proportion of a paper's implementation that is contained within the paper source. We are state-of-the-art for both metrics, outperforming the ResNet and Transformer papers, as well as the PyTorch and Tensorflow libraries. Source code, documentation, videos, crypto scams and an invitation to invest in the commercialisation of NeuRaLaTeX are available at https://www.neuralatex.com
Authors: Tudor-Stefan Cotet, Igor Krawczuk
Abstract: Bayesian optimization (BO) has recently become more prevalent in protein engineering applications and hence has become a fruitful target of benchmarks. However, current BO comparisons often overlook real-world considerations like risk and cost constraints. In this work, we compare 72 model combinations of encodings, surrogate models, and acquisition functions on 11 protein binder fitness landscapes, specifically from this perspective. Drawing from the portfolio optimization literature, we adopt metrics to quantify the cold-start performance relative to a random baseline, to assess the risk of an optimization campaign, and to calculate the overall budget required to reach a fitness threshold. Our results suggest the existence of Pareto-optimal models on the risk-performance axis, the shift of this preference depending on the landscape explored, and the robust correlation between landscape properties such as epistasis with the average and worst-case model performance. They also highlight that rigorous model selection requires substantial computational and statistical efforts.
Authors: Marco Canducci, Lida Abdi, Alessandro Prete, Roland J. Veen, Michael Biehl, Wiebke Arlt, Peter Tino
Abstract: In a given classification task, the accuracy of the learner is often hampered by finiteness of the training set, high-dimensionality of the feature space and severe overlap between classes. In the context of interpretable learners, with (piecewise) linear separation boundaries, these issues can be mitigated by careful construction of optimization procedures and/or estimation of relevant features for the task. However, when the task is shared across two disjoint populations the main interest is shifted towards estimating a set of features that discriminate the most between the two, when performing classification. We propose a new Discriminative Subspace Emersion (DSE) method to extend subspace learning toward a general relevance learning framework. DSE allows us to identify the most relevant features in distinguishing the classification task across two populations, even in cases of high overlap between classes. The proposed methodology is designed to work with multiple sets of labels and is derived in principle without being tied to a specific choice of base learner. Theoretical and empirical investigations over synthetic and real-world datasets indicate that DSE accurately identifies a common subspace for the classification across different populations. This is shown to be true for a surprisingly high degree of overlap between classes.
Authors: Kerui Wu, Ziyue Zhao, B\"ulent Yener
Abstract: Epilepsy is a common neurological disorder that affects around 65 million people worldwide. Detecting seizures quickly and accurately is vital, given the prevalence and severity of the associated complications. Recently, deep learning-based automated seizure detection methods have emerged as solutions; however, most existing methods require extensive post-processing and do not effectively handle the crucial long-range patterns in EEG data. In this work, we propose SeizureTransformer, a simple model comprised of (i) a deep encoder comprising 1D convolutions (ii) a residual CNN stack and a transformer encoder to embed previous output into high-level representation with contextual information, and (iii) streamlined decoder which converts these features into a sequence of probabilities, directly indicating the presence or absence of seizures at every time step. Extensive experiments on public and private EEG seizure detection datasets demonstrate that our model significantly outperforms existing approaches (ranked in the first place in the 2025 "seizure detection challenge" organized in the International Conference on Artificial Intelligence in Epilepsy and Other Neurological Disorders), underscoring its potential for real-time, precise seizure detection.
Authors: Yuang Jia, Xiaojuan Shan, Jun Xia, Guancheng Wan, Yuchen Zhang, Wenke Huang, Mang Ye, Stan Z. Li
Abstract: Data-free Knowledge Distillation (DFKD) is a method that constructs pseudo-samples using a generator without real data, and transfers knowledge from a teacher model to a student by enforcing the student to overcome dimensional differences and learn to mimic the teacher's outputs on these pseudo-samples. In recent years, various studies in the vision domain have made notable advancements in this area. However, the varying topological structures and non-grid nature of graph data render the methods from the vision domain ineffective. Building upon prior research into differentiable methods for graph neural networks, we propose a fast and high-quality data-free knowledge distillation approach in this paper. Without compromising distillation quality, the proposed graph-free KD method (ACGKD) significantly reduces the spatial complexity of pseudo-graphs by leveraging the Binary Concrete distribution to model the graph structure and introducing a spatial complexity tuning parameter. This approach enables efficient gradient computation for the graph structure, thereby accelerating the overall distillation process. Additionally, ACGKD eliminates the dimensional ambiguity between the student and teacher models by increasing the student's dimensions and reusing the teacher's classifier. Moreover, it equips graph knowledge distillation with a CL-based strategy to ensure the student learns graph structures progressively. Extensive experiments demonstrate that ACGKD achieves state-of-the-art performance in distilling knowledge from GNNs without training data.
Authors: Rachel Freedman, Justin Svegliato, Kyle Wray, Stuart Russell
Abstract: Reinforcement learning from human feedback (RLHF) enables machine learning systems to learn objectives from human feedback. A core limitation of these systems is their assumption that all feedback comes from a single human teacher, despite querying a range of distinct teachers. We propose the Hidden Utility Bandit (HUB) framework to model differences in teacher rationality, expertise, and costliness, formalizing the problem of learning from multiple teachers. We develop a variety of solution algorithms and apply them to two real-world domains: paper recommendation systems and COVID-19 vaccine testing. We find that the Active Teacher Selection (ATS) algorithm outperforms baseline algorithms by actively selecting when and which teacher to query. The HUB framework and ATS algorithm demonstrate the importance of leveraging differences between teachers to learn accurate reward models, facilitating future research on active teacher selection for robust reward modeling.
Authors: Junjie Yang, Jinze Zhao, Peihao Wang, Zhangyang Wang, Yingbin Liang
Abstract: Diffusion-based image synthesis has attracted extensive attention recently. In particular, ControlNet that uses image-based prompts exhibits powerful capability in image tasks such as canny edge detection and generates images well aligned with these prompts. However, vanilla ControlNet generally requires extensive training of around 5000 steps to achieve a desirable control for a single task. Recent context-learning approaches have improved its adaptability, but mainly for edge-based tasks, and rely on paired examples. Thus, two important open issues are yet to be addressed to reach the full potential of ControlNet: (i) zero-shot control for certain tasks and (ii) faster adaptation for non-edge-based tasks. In this paper, we introduce a novel Meta ControlNet method, which adopts the task-agnostic meta learning technique and features a new layer freezing design. Meta ControlNet significantly reduces learning steps to attain control ability from 5000 to 1000. Further, Meta ControlNet exhibits direct zero-shot adaptability in edge-based tasks without any finetuning, and achieves control within only 100 finetuning steps in more complex non-edge tasks such as Human Pose, outperforming all existing methods. The codes is available in https://github.com/JunjieYang97/Meta-ControlNet.
Authors: Chunjing Gan, Dan Yang, Binbin Hu, Ziqi Liu, Yue Shen, Zhiqiang Zhang, Jinjie Gu, Jun Zhou, Guannan Zhang
Abstract: Nowadays, the rapid development of mobile economy has promoted the flourishing of online marketing campaigns, whose success greatly hinges on the efficient matching between user preferences and desired marketing campaigns where a well-established Marketing-oriented Knowledge Graph (dubbed as MoKG) could serve as the critical "bridge" for preference propagation. In this paper, we seek to carefully prompt a Large Language Model (LLM) with domain-level knowledge as a better marketing-oriented knowledge miner for marketing-oriented knowledge graph construction, which is however non-trivial, suffering from several inevitable issues in real-world marketing scenarios, i.e., uncontrollable relation generation of LLMs,insufficient prompting ability of a single prompt, the unaffordable deployment cost of LLMs. To this end, we propose PAIR, a novel Progressive prompting Augmented mIning fRamework for harvesting marketing-oriented knowledge graph with LLMs. In particular, we reduce the pure relation generation to an LLM based adaptive relation filtering process through the knowledge-empowered prompting technique. Next, we steer LLMs for entity expansion with progressive prompting augmentation,followed by a reliable aggregation with comprehensive consideration of both self-consistency and semantic relatedness. In terms of online serving, we specialize in a small and white-box PAIR (i.e.,LightPAIR),which is fine-tuned with a high-quality corpus provided by a strong teacher-LLM. Extensive experiments and practical applications in audience targeting verify the effectiveness of the proposed (Light)PAIR.
Authors: Jianyou Wang, Kaicheng Wang, Xiaoyue Wang, Weili Cao, Ramamohan Paturi, Leon Bergen
Abstract: Effective information retrieval (IR) in settings with limited training data, particularly for complex queries, remains a challenging task. This paper introduces IR2, Information Regularization for Information Retrieval, a technique for reducing overfitting during synthetic data generation. This approach, representing a novel application of regularization techniques in synthetic data creation for IR, is tested on three recent IR tasks characterized by complex queries: DORIS-MAE, ArguAna, and WhatsThatBook. Experimental results indicate that our regularization techniques not only outperform previous synthetic query generation methods on the tasks considered but also reduce cost by up to 50%. Furthermore, this paper categorizes and explores three regularization methods at different stages of the query synthesis pipeline-input, prompt, and output-each offering varying degrees of performance improvement compared to models where no regularization is applied. This provides a systematic approach for optimizing synthetic data generation in data-limited, complex-query IR scenarios. All code, prompts and synthetic data are available at https://github.com/Info-Regularization/Information-Regularization.
URLs: https://github.com/Info-Regularization/Information-Regularization.
Authors: Achyut Paudel, Jostan Brown, Priyanka Upadhyaya, Atif Bilal Asad, Safal Kshetri, Joseph R. Davidson, Cindy Grimm, Ashley Thompson, Bernardita Sallato, Matthew D. Whiting, Manoj Karkee
Abstract: Apple(\textit{Malus domestica} Borkh.) trees are deciduous, shedding leaves each year. This process is preceded by a gradual change in leaf color from green to yellow as chlorophyll is degraded prior to abscission. The initiation and rate of this color change are affected by many factors including leaf nitrogen (N) concentration. We predict that leaf color during this transition may be indicative of the nitrogen status of apple trees. This study assesses a machine vision-based system for quantifying the change in leaf color and its correlation with leaf nitrogen content. An image dataset was collected in color and 3D over five weeks in the fall of 2021 and 2023 at a commercial orchard using a ground vehicle-based stereovision sensor. Trees in the foreground were segmented from the point cloud using color and depth thresholding methods. Then, to estimate the proportion of yellow leaves per canopy, the color information of the segmented canopy area was quantified using a custom-defined metric, \textit{yellowness index} (a normalized ratio of yellow to green foliage in the tree) that varied from -1 to +1 (-1 being completely green and +1 being completely yellow). Both K-means-based methods and gradient boosting methods were used to estimate the \textit{yellowness index}. The gradient boosting based method proposed in this study was better than the K-means-based method (both in terms of computational time and accuracy), achieving an $R^2$ of 0.72 in estimating the \textit{yellowness index}. The metric was able to capture the gradual color transition from green to yellow over the study duration. Trees with lower leaf nitrogen showed the color transition to yellow earlier than the trees with higher nitrogen. Keywords: Fruit Tree Nitrogen Management, Machine Vision, Point Cloud Segmentation, Precision Nitrogen Management
Authors: Khai Le-Duc, David Thulke, Hung-Phong Tran, Long Vo-Dang, Khai-Nguyen Nguyen, Truong-Son Hy, Ralf Schl\"uter
Abstract: Spoken Named Entity Recognition (NER) aims to extract named entities from speech and categorise them into types like person, location, organization, etc. In this work, we present VietMed-NER - the first spoken NER dataset in the medical domain. To our knowledge, our Vietnamese real-world dataset is the largest spoken NER dataset in the world regarding the number of entity types, featuring 18 distinct types. Furthermore, we present baseline results using various state-of-the-art pre-trained models: encoder-only and sequence-to-sequence; and conduct quantitative and qualitative error analysis. We found that pre-trained multilingual models generally outperform monolingual models on reference text and ASR output and encoders outperform sequence-to-sequence models in NER tasks. By translating the transcripts, the dataset can also be utilised for text NER in the medical domain in other languages than Vietnamese. All code, data and models are publicly available: https://github.com/leduckhai/MultiMed/tree/master/VietMed-NER.
URLs: https://github.com/leduckhai/MultiMed/tree/master/VietMed-NER.
Authors: Berk Atil, Sarp Aykent, Alexa Chittams, Lisheng Fu, Rebecca J. Passonneau, Evan Radcliffe, Guru Rajan Rajagopal, Adam Sloan, Tomasz Tudrej, Ferhan Ture, Zhe Wu, Lixinyu Xu, Breck Baldwin
Abstract: LLM (large language model) practitioners commonly notice that outputs can vary for the same inputs under settings expected to be deterministic. Yet the questions of how pervasive this is, and with what impact on results, have not to our knowledge been systematically investigated. We investigate non-determinism in five LLMs configured to be deterministic when applied to eight common tasks in across 10 runs, in both zero-shot and few-shot settings. We see accuracy variations up to 15% across naturally occurring runs with a gap of best possible performance to worst possible performance up to 70%. In fact, none of the LLMs consistently delivers repeatable accuracy across all tasks, much less identical output strings. Sharing preliminary results with insiders has revealed that non-determinism perhaps essential to the efficient use of compute resources via co-mingled data in input buffers so this issue is not going away anytime soon. To better quantify our observations, we introduce metrics focused on quantifying determinism, TARr@N for the total agreement rate at N runs over raw output, and TARa@N for total agreement rate of parsed-out answers. Our code and data are publicly available at https://github.com/breckbaldwin/llm-stability.
Authors: Difeng Cai, Edmond Chow, Yuanzhe Xi
Abstract: In this paper, we present a comprehensive analysis of the posterior covariance field in Gaussian processes, with applications to the posterior covariance matrix. The analysis is based on the Gaussian prior covariance but the approach also applies to other covariance kernels. Our geometric analysis reveals how the Gaussian kernel's bandwidth parameter and the spatial distribution of the observations influence the posterior covariance as well as the corresponding covariance matrix, enabling straightforward identification of areas with high or low covariance in magnitude. Drawing inspiration from the a posteriori error estimation techniques in adaptive finite element methods, we also propose several estimators to efficiently measure the absolute posterior covariance field, which can be used for efficient covariance matrix approximation and preconditioning. We conduct a wide range of experiments to illustrate our theoretical findings and their practical applications.
Authors: Zhizhuo Kou, Holam Yu, Junyu Luo, Jingshu Peng, Lei Chen
Abstract: Despite significant progress in deep learning for financial trading, existing models often face instability and high uncertainty, hindering their practical application. Leveraging advancements in Large Language Models (LLMs) and multi-agent architectures, we propose a novel framework for quantitative stock investment in portfolio management and alpha mining. Our framework addresses these issues by integrating LLMs to generate diversified alphas and employing a multi-agent approach to dynamically evaluate market conditions. This paper proposes a framework where large language models (LLMs) mine alpha factors from multimodal financial data, ensuring a comprehensive understanding of market dynamics. The first module extracts predictive signals by integrating numerical data, research papers, and visual charts. The second module uses ensemble learning to construct a diverse pool of trading agents with varying risk preferences, enhancing strategy performance through a broader market analysis. In the third module, a dynamic weight-gating mechanism selects and assigns weights to the most relevant agents based on real-time market conditions, enabling the creation of an adaptive and context-aware composite alpha formula. Extensive experiments on the Chinese stock markets demonstrate that this framework significantly outperforms state-of-the-art baselines across multiple financial metrics. The results underscore the efficacy of combining LLM-generated alphas with a multi-agent architecture to achieve superior trading performance and stability. This work highlights the potential of AI-driven approaches in enhancing quantitative investment strategies and sets a new benchmark for integrating advanced machine learning techniques in financial trading can also be applied on diverse markets.
Authors: Ziao Wang, Kilian M\"uller, Matthew Filipovich, Julien Launay, Ruben Ohana, Gustave Pariente, Safa Mokaadi, Charles Brossollet, Fabien Moreau, Alessandro Cappelli, Iacopo Poli, Igor Carron, Laurent Daudet, Florent Krzakala, Sylvain Gigan
Abstract: Modern deep learning relies nearly exclusively on dedicated electronic hardware accelerators. Photonic approaches, with low consumption and high operation speed, are increasingly considered for inference but, to date, remain mostly limited to relatively basic tasks. Simultaneously, the problem of training deep and complex neural networks, overwhelmingly performed through backpropagation, remains a significant limitation to the size and, consequently, the performance of current architectures and a major compute and energy bottleneck. Here, we experimentally implement a versatile and scalable training algorithm, called direct feedback alignment, on a hybrid electronic-photonic platform. An optical processing unit performs large-scale random matrix multiplications, which is the central operation of this algorithm, at speeds up to 1500 TeraOPS under 30 Watts of power. We perform optical training of modern deep learning architectures, including Transformers, with more than 1B parameters, and obtain good performances on language, vision, and diffusion-based generative tasks. We study the scaling of the training time, and demonstrate a potential advantage of our hybrid opto-electronic approach for ultra-deep and wide neural networks, thus opening a promising route to sustain the exponential growth of modern artificial intelligence beyond traditional von Neumann approaches.
Authors: Peiqi Wang, Barbara D. Lam, Yingcheng Liu, Ameneh Asgari-Targhi, Rameswar Panda, William M. Wells, Tina Kapur, Polina Golland
Abstract: We present a novel approach to calibrating linguistic expressions of certainty, e.g., "Maybe" and "Likely". Unlike prior work that assigns a single score to each certainty phrase, we model uncertainty as distributions over the simplex to capture their semantics more accurately. To accommodate this new representation of certainty, we generalize existing measures of miscalibration and introduce a novel post-hoc calibration method. Leveraging these tools, we analyze the calibration of both humans (e.g., radiologists) and computational models (e.g., language models) and provide interpretable suggestions to improve their calibration.
Authors: Dmitry Ivlev
Abstract: This paper presents a proof of concept for spatial prediction of rock saturation probability using classifier ensemble methods on the example of the giant Groningen gas field. The stages of generating 1481 seismic field attributes and selecting 63 significant attributes are described. The effectiveness of the proposed method of augmentation of well and seismic data is shown, which increased the training sample by 9 times. On a test sample of 42 wells (blind well test), the results demonstrate good accuracy in predicting the ensemble of classifiers: the Matthews correlation coefficient is 0.7689, and the F1-score for the "gas reservoir" class is 0.7949. Prediction of gas reservoir thicknesses within the field and adjacent areas is made.
Authors: Limei Wang, Kaveh Hassani, Si Zhang, Dongqi Fu, Baichuan Yuan, Weilin Cong, Zhigang Hua, Hao Wu, Ning Yao, Bo Long
Abstract: Transformers serve as the backbone architectures of Foundational Models, where domain-specific tokenizers allow them to adapt to various domains. Graph Transformers (GTs) have recently emerged as leading models in geometric deep learning, outperforming Graph Neural Networks (GNNs) in various graph learning tasks. However, the development of tokenizers for graphs has lagged behind other modalities. To address this, we introduce GQT (\textbf{G}raph \textbf{Q}uantized \textbf{T}okenizer), which decouples tokenizer training from Transformer training by leveraging multi-task graph self-supervised learning, yielding robust and generalizable graph tokens. Furthermore, the GQT utilizes Residual Vector Quantization (RVQ) to learn hierarchical discrete tokens, resulting in significantly reduced memory requirements and improved generalization capabilities. By combining the GQT with token modulation, a Transformer encoder achieves state-of-the-art performance on 20 out of 22 benchmarks, including large-scale homophilic and heterophilic datasets.
Authors: Julie Kallini, Shikhar Murty, Christopher D. Manning, Christopher Potts, R\'obert Csord\'as
Abstract: Models that rely on subword tokenization have significant drawbacks, such as sensitivity to character-level noise like spelling errors and inconsistent compression rates across different languages and scripts. While character- or byte-level models like ByT5 attempt to address these concerns, they have not gained widespread adoption -- processing raw byte streams without tokenization results in significantly longer sequence lengths, making training and inference inefficient. This work introduces MrT5 (MergeT5), a more efficient variant of ByT5 that integrates a token deletion mechanism in its encoder to dynamically shorten the input sequence length. After processing through a fixed number of encoder layers, a learned delete gate determines which tokens are to be removed and which are to be retained for subsequent layers. MrT5 effectively "merges" critical information from deleted tokens into a more compact sequence, leveraging contextual information from the remaining tokens. In continued pre-training experiments, we find that MrT5 can achieve significant gains in inference runtime with minimal effect on performance, as measured by bits-per-byte. Additionally, with multilingual training, MrT5 adapts to the orthographic characteristics of each language, learning language-specific compression rates. Furthermore, MrT5 shows comparable accuracy to ByT5 on downstream evaluations such as XNLI, TyDi QA, and character-level tasks while reducing sequence lengths by up to 75%. Our approach presents a solution to the practical limitations of existing byte-level models.
Authors: Chirag Modi, Diana Cai, Lawrence K. Saul
Abstract: Black-box variational inference (BBVI) scales poorly to high-dimensional problems when it is used to estimate a multivariate Gaussian approximation with a full covariance matrix. In this paper, we extend the batch-and-match (BaM) framework for score-based BBVI to problems where it is prohibitively expensive to store such covariance matrices, let alone to estimate them. Unlike classical algorithms for BBVI, which use stochastic gradient descent to minimize the reverse Kullback-Leibler divergence, BaM uses more specialized updates to match the scores of the target density and its Gaussian approximation. We extend the updates for BaM by integrating them with a more compact parameterization of full covariance matrices. In particular, borrowing ideas from factor analysis, we add an extra step to each iteration of BaM--a patch--that projects each newly updated covariance matrix into a more efficiently parameterized family of diagonal plus low rank matrices. We evaluate this approach on a variety of synthetic target distributions and real-world problems in high-dimensional inference.
Authors: Allan Gr{\o}nlund, Kasper Green Larsen
Abstract: Achieving a provable exponential quantum speedup for an important machine learning task has been a central research goal since the seminal HHL quantum algorithm for solving linear systems and the subsequent quantum recommender systems algorithm by Kerenidis and Prakash. These algorithms were initially believed to be strong candidates for exponential speedups, but a lower bound ruling out similar classical improvements remained absent. In breakthrough work by Tang, it was demonstrated that this lack of progress in classical lower bounds was for good reasons. Concretely, she gave a classical counterpart of the quantum recommender systems algorithm, reducing the quantum advantage to a mere polynomial. Her approach is quite general and was named quantum-inspired classical algorithms. Since then, almost all the initially exponential quantum machine learning speedups have been reduced to polynomial via new quantum-inspired classical algorithms. From the current state-of-affairs, it is unclear whether we can hope for exponential quantum speedups for any natural machine learning task. In this work, we present the first such provable exponential separation between quantum and quantum-inspired classical algorithms for the basic problem of solving a linear system when the input matrix is well-conditioned and has sparse rows and columns.
Authors: Yingheng Wang, Zichen Wang, Gil Sadeh, Luca Zancato, Alessandro Achille, George Karypis, Huzefa Rangwala
Abstract: Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built upon selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and up to 30% and 16% improvements on protein downstream tasks compared to Transformer-based ESM-2 when trained with 100B and 1T tokens, respectively. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g., structured state space models) in learning universal protein representations and incorporating molecular interaction contexts contained in biological graphs.
Authors: Ruikun Zhou, Yiming Meng, Zhexuan Zeng, Jun Liu
Abstract: Koopman operator theory has gained significant attention in recent years for identifying discrete-time nonlinear systems by embedding them into an infinite-dimensional linear vector space. However, providing stability guarantees while learning the continuous-time dynamics, especially under conditions of relatively low observation frequency, remains a challenge within the existing Koopman-based learning frameworks. To address this challenge, we propose an algorithmic framework to simultaneously learn the vector field and Lyapunov functions for unknown nonlinear systems, using a limited amount of data sampled across the state space and along the trajectories at a relatively low sampling frequency. The proposed framework builds upon recently developed high-accuracy Koopman generator learning for capturing transient system transitions and physics-informed neural networks for training Lyapunov functions. We show that the learned Lyapunov functions can be formally verified using a satisfiability modulo theories (SMT) solver and provide less conservative estimates of the region of attraction compared to existing methods.
Authors: O. Deniz Akyildiz, Pierre Del Moral, Joaqu\'in Miguez
Abstract: Entropic optimal transport problems are regularized versions of optimal transport problems. These models play an increasingly important role in machine learning and generative modelling. For finite spaces, these problems are commonly solved using Sinkhorn algorithm (a.k.a. iterative proportional fitting procedure). However, in more general settings the Sinkhorn iterations are based on nonlinear conditional/conjugate transformations and exact finite-dimensional solutions cannot be computed. This article presents a finite-dimensional recursive formulation of the iterative proportional fitting procedure for general Gaussian multivariate models. As expected, this recursive formulation is closely related to the celebrated Kalman filter and related Riccati matrix difference equations, and it yields algorithms that can be implemented in practical settings without further approximations. We extend this filtering methodology to develop a refined and self-contained convergence analysis of Gaussian Sinkhorn algorithms, including closed form expressions of entropic transport maps and Schr\"odinger bridges.
Authors: Zijie Li, Henry Li, Yichun Shi, Amir Barati Farimani, Yuval Kluger, Linjie Yang, Peng Wang
Abstract: Diffusion models have gained tremendous success in text-to-image generation, yet still lag behind with visual understanding tasks, an area dominated by autoregressive vision-language models. We propose a large-scale and fully end-to-end diffusion model for multi-modal understanding and generation that significantly improves on existing diffusion-based multimodal models, and is the first of its kind to support the full suite of vision-language modeling capabilities. Inspired by the multimodal diffusion transformer (MM-DiT) and recent advances in discrete diffusion language modeling, we leverage a cross-modal maximum likelihood estimation framework that simultaneously trains the conditional likelihoods of both images and text jointly under a single loss function, which is back-propagated through both branches of the diffusion transformer. The resulting model is highly flexible and capable of a wide range of tasks including image generation, captioning, and visual question answering. Our model attained competitive performance compared to recent unified image understanding and generation models, demonstrating the potential of multimodal diffusion modeling as a promising alternative to autoregressive next-token prediction models.
Authors: Anurag Awasthi
Abstract: Active Appearance Models (AAMs) are a well-established technique for fitting deformable models to images, but they are limited by linear appearance assumptions and can struggle with complex variations. In this paper, we explore if the AAM fitting process can benefit from a Generative Adversarial Network (GAN). We uses a U-Net based generator and a PatchGAN discriminator for GAN-augmented framework in an attempt to refine the appearance model during fitting. This approach attempts to addresses challenges such as non-linear appearance variations and occlusions that traditional AAM optimization methods may fail to handle. Limited experiments on face alignment datasets demonstrate that the GAN-enhanced AAM can achieve higher accuracy and faster convergence than classic approaches with some manual interventions. These results establish feasibility of GANs as a tool for improving deformable model fitting in challenging conditions while maintaining efficient performance, and establishes the need for more future work to evaluate this approach at scale.
Authors: Samer Attrah
Abstract: Emotion estimation in general is a field that has been studied for a long time, and several approaches exist using machine learning. in this paper, we present an LSTM model, that processes the blend-shapes produced by the library MediaPipe, for a face detected in a live stream of a camera, to estimate the main emotion from the facial expressions, this model is trained on the FER2013 dataset and delivers a result of 71% accuracy and 62% f1-score which meets the accuracy benchmark of the FER2013 dataset, with significantly reduced computation costs. https://github.com/Samir-atra/Emotion_estimation_from_video_footage_with_LSTM_ML_algorithm
URLs: https://github.com/Samir-atra/Emotion_estimation_from_video_footage_with_LSTM_ML_algorithm
Authors: Sixiao Zheng, Zimian Peng, Yanpeng Zhou, Yi Zhu, Hang Xu, Xiangru Huang, Yanwei Fu
Abstract: Recent image-to-video generation methods have demonstrated success in enabling control over one or two visual elements, such as camera motion or object motion. However, these methods are unable to offer control over multiple visual elements due to limitations in data and network efficacy. In this paper, we introduce VidCRAFT3, a novel framework for precise image-to-video generation that enables control over camera motion, object motion, and lighting direction simultaneously. VidCRAFT3 integrates three core components: Image2Cloud generates 3D point cloud from a reference image; ObjMotionNet encodes sparse object trajectories using multi-scale optical flow features; and Spatial Triple-Attention Transformer incorporates lighting direction embeddings via parallel cross-attention modules. Additionally, we introduce the VideoLightingDirection dataset, providing synthetic yet realistic video clips with accurate per-frame lighting direction annotations, effectively mitigating the lack of annotated real-world datasets. We further adopt a three-stage training strategy, ensuring robust learning even without joint multi-element annotations. Extensive experiments show that VidCRAFT3 produces high-quality video content, outperforming state-of-the-art methods in control granularity and visual coherence. Code and data will be publicly available.
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: Aleksander Ficek, Somshubra Majumdar, Vahid Noroozi, Boris Ginsburg
Abstract: Synthetic verification techniques such as generating test cases and reward modelling are common ways to enhance the coding capabilities of large language models (LLM) beyond predefined tests. Additionally, code verification has recently found great success as a critical component in improving reasoning capability of LLMs via reinforcement learning. In this paper, we propose a an approach which can transform existing coding benchmarks into scoring and ranking datasets to evaluate the effectiveness of synthetic verifiers. We also propose multiple metrics to measure different aspects of the synthetic verifiers with the proposed benchmarks. By employing the proposed approach, we release four new benchmarks (HE-R, HE-R+, MBPP-R, and MBPP-R+), and analyzed synthetic verification methods with standard, reasoning-based, and reward-based LLMs. Our experiments show that reasoning can significantly improve test case generation and that scaling the number of test cases enhances the verification accuracy.
Authors: Joshua Kazdan, Lisa Yu, Rylan Schaeffer, Chris Cundy, Sanmi Koyejo, Krishnamurthy Dvijotham
Abstract: Leading language model (LM) providers like OpenAI and Google offer fine-tuning APIs that allow customers to adapt LMs for specific use cases. To prevent misuse, these LM providers implement filtering mechanisms to block harmful fine-tuning data. Consequently, adversaries seeking to produce unsafe LMs via these APIs must craft adversarial training data that are not identifiably harmful. We make three contributions in this context: 1. We show that many existing attacks that use harmless data to create unsafe LMs rely on eliminating model refusals in the first few tokens of their responses. 2. We show that such prior attacks can be blocked by a simple defense that pre-fills the first few tokens from an aligned model before letting the fine-tuned model fill in the rest. 3. We describe a new data-poisoning attack, ``No, Of course I Can Execute'' (NOICE), which exploits an LM's formulaic refusal mechanism to elicit harmful responses. By training an LM to refuse benign requests on the basis of safety before fulfilling those requests regardless, we are able to jailbreak several open-source models and a closed-source model (GPT-4o). We show an attack success rate (ASR) of 57% against GPT-4o; our attack earned a Bug Bounty from OpenAI. Against open-source models protected by simple defenses, we improve ASRs by an average of 3.25 times compared to the best performing previous attacks that use only harmless data. NOICE demonstrates the exploitability of repetitive refusal mechanisms and broadens understanding of the threats closed-source models face from harmless data.
Authors: Antoine Belley, Jose M. Munoz, Ronald F. Garcia Ruiz
Abstract: We introduce a hierarchical framework that combines ab initio many-body calculations with a Bayesian neural network, developing emulators capable of accurately predicting nuclear properties across isotopic chains simultaneously and being applicable to different regions of the nuclear chart. We benchmark our developments using the oxygen isotopic chain, achieving accurate results for ground-state energies and nuclear charge radii, while providing robust uncertainty quantification. Our framework enables global sensitivity analysis of nuclear binding energies and charge radii with respect to the low-energy constants that describe the nuclear force.
Authors: Nam Huynh, Beiyu Lin
Abstract: Large Language Models (LLMs) have demonstrated their remarkable capabilities in numerous fields. This survey focuses on how LLMs empower users, regardless of their technical background, to use human languages to automatically generate executable code. We begin with understanding LLMs' limitations and challenges in automated code generation. Subsequently, we review various fine-tuning techniques designed to enhance both the performance and adaptability of LLMs in code generation tasks. We then review the existing metrics and benchmarks for evaluations to assess model performance based on fine-tuning techniques. Finally, we explore the applications of LLMs (e.g. CodeLlama, GitHub Copilot, ToolGen) in code generation tasks to illustrate their roles and functionalities. This survey provides a comprehensive overview of LLMs for code generation, helps researchers in diverse fields better understand the current state-of-the-art technologies, and offers the potential of effectively leveraging LLMs for code generation tasks.
Authors: Junsol Kim, James Evans, Aaron Schein
Abstract: Large language models (LLMs) have demonstrated the ability to generate text that realistically reflects a range of different subjective human perspectives. This paper studies how LLMs are seemingly able to reflect more liberal versus more conservative viewpoints among other political perspectives in American politics. We show that LLMs possess linear representations of political perspectives within activation space, wherein more similar perspectives are represented closer together. To do so, we probe the attention heads across the layers of three open transformer-based LLMs (Llama-2-7b-chat, Mistral-7b-instruct, Vicuna-7b). We first prompt models to generate text from the perspectives of different U.S. lawmakers. We then identify sets of attention heads whose activations linearly predict those lawmakers' DW-NOMINATE scores, a widely-used and validated measure of political ideology. We find that highly predictive heads are primarily located in the middle layers, often speculated to encode high-level concepts and tasks. Using probes only trained to predict lawmakers' ideology, we then show that the same probes can predict measures of news outlets' slant from the activations of models prompted to simulate text from those news outlets. These linear probes allow us to visualize, interpret, and monitor ideological stances implicitly adopted by an LLM as it generates open-ended responses. Finally, we demonstrate that by applying linear interventions to these attention heads, we can steer the model outputs toward a more liberal or conservative stance. Overall, our research suggests that LLMs possess a high-level linear representation of American political ideology and that by leveraging recent advances in mechanistic interpretability, we can identify, monitor, and steer the subjective perspective underlying generated text.
Authors: Saeed Ranjbar Alvar, Gursimran Singh, Mohammad Akbari, Yong Zhang
Abstract: Large Multimodal Models (LMMs) have emerged as powerful models capable of understanding various data modalities, including text, images, and videos. LMMs encode both text and visual data into tokens that are then combined and processed by an integrated Large Language Model (LLM). Including visual tokens substantially increases the total token count, often by thousands. The increased input length for LLM significantly raises the complexity of inference, resulting in high latency in LMMs. To address this issue, token pruning methods, which remove part of the visual tokens, are proposed. The existing token pruning methods either require extensive calibration and fine-tuning or rely on suboptimal importance metrics which results in increased redundancy among the retained tokens. In this paper, we first formulate token pruning as Max-Min Diversity Problem (MMDP) where the goal is to select a subset such that the diversity among the selected {tokens} is maximized. Then, we solve the MMDP to obtain the selected subset and prune the rest. The proposed method, DivPrune, reduces redundancy and achieves the highest diversity of the selected tokens. By ensuring high diversity, the selected tokens better represent the original tokens, enabling effective performance even at high pruning ratios without requiring fine-tuning. Extensive experiments with various LMMs show that DivPrune achieves state-of-the-art accuracy over 16 image- and video-language datasets. Additionally, DivPrune reduces both the end-to-end latency and GPU memory usage for the tested models. The code is available $\href{https://github.com/vbdi/divprune}{\text{here}}$.
Authors: Bin Yang, Yuxuan Liang, Chenjuan Guo, Christian S. Jensen
Abstract: Time series data captures properties that change over time. Such data occurs widely, ranging from the scientific and medical domains to the industrial and environmental domains. When the properties in time series exhibit spatial variations, we often call the data spatio-temporal. As part of the continued digitalization of processes throughout society, increasingly large volumes of time series and spatio-temporal data are available. In this tutorial, we focus on data-driven decision making with such data, e.g., enabling greener and more efficient transportation based on traffic time series forecasting. The tutorial adopts the holistic paradigm of ``data-governance-analytics-decision.'' We first introduce the data foundation of time series and spatio-temporal data, which is often heterogeneous. Next, we discuss data governance methods that aim to improve data quality. We then cover data analytics, focusing on the ``AGREE'' principles: Automation, Generalization, Robustness, Explainability, and Efficiency. We finally cover data-driven decision making strategies and briefly discuss promising research directions. We hope that the tutorial will serve as a primary resource for researchers and practitioners who are interested in value creation from time series and spatio-temporal data.
Authors: Guy Barzilai, Ohad Shamir, Moslem Zamani
Abstract: In this paper, we study when we might expect the optimization curve induced by gradient descent to be \emph{convex} -- precluding, for example, an initial plateau followed by a sharp decrease, making it difficult to decide when optimization should stop. Although such undesirable behavior can certainly occur when optimizing general functions, might it also occur in the benign and well-studied case of smooth convex functions? As far as we know, this question has not been tackled in previous work. We show, perhaps surprisingly, that the answer crucially depends on the choice of the step size. In particular, for the range of step sizes which are known to result in monotonic convergence to an optimal value, we characterize a regime where the optimization curve will be provably convex, and a regime where the curve can be non-convex. We also extend our results to gradient flow, and to the closely-related but different question of whether the gradient norm decreases monotonically.
Authors: Jonesh Shrestha
Abstract: This research evaluates the extent to which modern AI frameworks, specifically TensorFlow and scikit-learn, adhere to the SOLID design principles - Single Responsibility, Open/Closed, Liskov Substitution, Interface Segregation, and Dependency Inversion. Analyzing the frameworks architectural documentation and design philosophies, this research investigates architectural trade-offs when balancing software engineering best practices with AI-specific needs. I examined each frameworks documentation, source code, and architectural components to evaluate their adherence to these principles. The results show that both frameworks adopt certain aspects of SOLID design principles but make intentional trade-offs to address performance, scalability, and the experimental nature of AI development. TensorFlow focuses on performance and scalability, sometimes sacrificing strict adherence to principles like Single Responsibility and Interface Segregation. While scikit-learns design philosophy aligns more closely with SOLID principles through consistent interfaces and composition principles, sticking closer to SOLID guidelines but with occasional deviations for performance optimizations and scalability. This research discovered that applying SOLID principles in AI frameworks depends on context, as performance, scalability, and flexibility often require deviations from traditional software engineering principles. This research contributes to understanding how domain-specific constraints influence architectural decisions in modern AI frameworks and how these frameworks strategically adapted design choices to effectively balance these contradicting requirements.
Authors: NVIDIA, :, Hassan Abu Alhaija, Jose Alvarez, Maciej Bala, Tiffany Cai, Tianshi Cao, Liz Cha, Joshua Chen, Mike Chen, Francesco Ferroni, Sanja Fidler, Dieter Fox, Yunhao Ge, Jinwei Gu, Ali Hassani, Michael Isaev, Pooya Jannaty, Shiyi Lan, Tobias Lasser, Huan Ling, Ming-Yu Liu, Xian Liu, Yifan Lu, Alice Luo, Qianli Ma, Hanzi Mao, Fabio Ramos, Xuanchi Ren, Tianchang Shen, Xinglong Sun, Shitao Tang, Ting-Chun Wang, Jay Wu, Jiashu Xu, Stella Xu, Kevin Xie, Yuchong Ye, Xiaodong Yang, Xiaohui Zeng, Yu Zeng
Abstract: We introduce Cosmos-Transfer, a conditional world generation model that can generate world simulations based on multiple spatial control inputs of various modalities such as segmentation, depth, and edge. In the design, the spatial conditional scheme is adaptive and customizable. It allows weighting different conditional inputs differently at different spatial locations. This enables highly controllable world generation and finds use in various world-to-world transfer use cases, including Sim2Real. We conduct extensive evaluations to analyze the proposed model and demonstrate its applications for Physical AI, including robotics Sim2Real and autonomous vehicle data enrichment. We further demonstrate an inference scaling strategy to achieve real-time world generation with an NVIDIA GB200 NVL72 rack. To help accelerate research development in the field, we open-source our models and code at https://github.com/nvidia-cosmos/cosmos-transfer1.
Authors: NVIDIA, :, Alisson Azzolini, Hannah Brandon, Prithvijit Chattopadhyay, Huayu Chen, Jinju Chu, Yin Cui, Jenna Diamond, Yifan Ding, Francesco Ferroni, Rama Govindaraju, Jinwei Gu, Siddharth Gururani, Imad El Hanafi, Zekun Hao, Jacob Huffman, Jingyi Jin, Brendan Johnson, Rizwan Khan, George Kurian, Elena Lantz, Nayeon Lee, Zhaoshuo Li, Xuan Li, Tsung-Yi Lin, Yen-Chen Lin, Ming-Yu Liu, Alice Luo, Andrew Mathau, Yun Ni, Lindsey Pavao, Wei Ping, David W. Romero, Misha Smelyanskiy, Shuran Song, Lyne Tchapmi, Andrew Z. Wang, Boxin Wang, Haoxiang Wang, Fangyin Wei, Jiashu Xu, Yao Xu, Xiaodong Yang, Zhuolin Yang, Xiaohui Zeng, Zhe Zhang
Abstract: Physical AI systems need to perceive, understand, and perform complex actions in the physical world. In this paper, we present the Cosmos-Reason1 models that can understand the physical world and generate appropriate embodied decisions (e.g., next step action) in natural language through long chain-of-thought reasoning processes. We begin by defining key capabilities for Physical AI reasoning, with a focus on physical common sense and embodied reasoning. To represent physical common sense, we use a hierarchical ontology that captures fundamental knowledge about space, time, and physics. For embodied reasoning, we rely on a two-dimensional ontology that generalizes across different physical embodiments. Building on these capabilities, we develop two multimodal large language models, Cosmos-Reason1-8B and Cosmos-Reason1-56B. We curate data and train our models in four stages: vision pre-training, general supervised fine-tuning (SFT), Physical AI SFT, and Physical AI reinforcement learning (RL) as the post-training. To evaluate our models, we build comprehensive benchmarks for physical common sense and embodied reasoning according to our ontologies. Evaluation results show that Physical AI SFT and reinforcement learning bring significant improvements. To facilitate the development of Physical AI, we will make our code and pre-trained models available under the NVIDIA Open Model License at https://github.com/nvidia-cosmos/cosmos-reason1.
Authors: Alejandro Lozano, Min Woo Sun, James Burgess, Jeffrey J. Nirschl, Christopher Polzak, Yuhui Zhang, Liangyu Chen, Jeffrey Gu, Ivan Lopez, Josiah Aklilu, Anita Rau, Austin Wolfgang Katzer, Collin Chiu, Orr Zohar, Xiaohan Wang, Alfred Seunghoon Song, Chiang Chia-Chun, Robert Tibshirani, Serena Yeung-Levy
Abstract: Despite the excitement behind biomedical artificial intelligence (AI), access to high-quality, diverse, and large-scale data - the foundation for modern AI systems - is still a bottleneck to unlocking its full potential. To address this gap, we introduce Biomedica, an open-source dataset derived from the PubMed Central Open Access subset, containing over 6 million scientific articles and 24 million image-text pairs, along with 27 metadata fields (including expert human annotations). To overcome the challenges of accessing our large-scale dataset, we provide scalable streaming and search APIs through a web server, facilitating seamless integration with AI systems. We demonstrate the utility of the Biomedica dataset by building embedding models, chat-style models, and retrieval-augmented chat agents. Notably, all our AI models surpass previous open systems in their respective categories, underscoring the critical role of diverse, high-quality, and large-scale biomedical data.
Authors: Sebastian Springer, Andre Scaffidi, Maximilian Autenrieth, Gabriella Contardo, Alessandro Laio, Roberto Trotta, Heikki Haario
Abstract: Detecting localized density differences in multivariate data is a crucial task in computational science. Such anomalies can indicate a critical system failure, lead to a groundbreaking scientific discovery, or reveal unexpected changes in data distribution. We introduce EagleEye, an anomaly detection method to compare two multivariate datasets with the aim of identifying local density anomalies, namely over- or under-densities affecting only localised regions of the feature space. Anomalies are detected by modelling, for each point, the ordered sequence of its neighbours' membership label as a coin-flipping process and monitoring deviations from the expected behaviour of such process. A unique advantage of our method is its ability to provide an accurate, entirely unsupervised estimate of the local signal purity. We demonstrate its effectiveness through experiments on both synthetic and real-world datasets. In synthetic data, EagleEye accurately detects anomalies in multiple dimensions even when they affect a tiny fraction of the data. When applied to a challenging resonant anomaly detection benchmark task in simulated Large Hadron Collider data, EagleEye successfully identifies particle decay events present in just 0.3% of the dataset. In global temperature data, EagleEye uncovers previously unidentified, geographically localised changes in temperature fields that occurred in the most recent years. Thanks to its key advantages of conceptual simplicity, computational efficiency, trivial parallelisation, and scalability, EagleEye is widely applicable across many fields.
Authors: Yohei Hamakawa, Tomoya Kashimata, Masaya Yamasaki, Kosuke Tatsumura
Abstract: Quantum or quantum-inspired Ising machines have recently shown promise in solving combinatorial optimization problems in a short time. Real-world applications, such as time division multiple access (TDMA) scheduling for wireless multi-hop networks and financial trading, require solving those problems sequentially where the size and characteristics change dynamically. However, using Ising machines involves challenges to shorten system-wide latency due to the transfer of large Ising model or the cloud access and to determine the parameters for each problem. Here we show a combinatorial optimization method using embedded Ising machines, which enables solving diverse problems at high speed without runtime parameter tuning. We customize the algorithm and circuit architecture of the simulated bifurcation-based Ising machine to compress the Ising model and accelerate computation and then built a machine learning model to estimate appropriate parameters using extensive training data. In TDMA scheduling for wireless multi-hop networks, our demonstration has shown that the sophisticated system can adapt to changes in the problem and showed that it has a speed advantage over conventional methods.
Authors: Abhiram Maddukuri, Zhenyu Jiang, Lawrence Yunliang Chen, Soroush Nasiriany, Yuqi Xie, Yu Fang, Wenqi Huang, Zu Wang, Zhenjia Xu, Nikita Chernyadev, Scott Reed, Ken Goldberg, Ajay Mandlekar, Linxi Fan, Yuke Zhu
Abstract: Large real-world robot datasets hold great potential to train generalist robot models, but scaling real-world human data collection is time-consuming and resource-intensive. Simulation has great potential in supplementing large-scale data, especially with recent advances in generative AI and automated data generation tools that enable scalable creation of robot behavior datasets. However, training a policy solely in simulation and transferring it to the real world often demands substantial human effort to bridge the reality gap. A compelling alternative is to co-train the policy on a mixture of simulation and real-world datasets. Preliminary studies have recently shown this strategy to substantially improve the performance of a policy over one trained on a limited amount of real-world data. Nonetheless, the community lacks a systematic understanding of sim-and-real co-training and what it takes to reap the benefits of simulation data for real-robot learning. This work presents a simple yet effective recipe for utilizing simulation data to solve vision-based robotic manipulation tasks. We derive this recipe from comprehensive experiments that validate the co-training strategy on various simulation and real-world datasets. Using two domains--a robot arm and a humanoid--across diverse tasks, we demonstrate that simulation data can enhance real-world task performance by an average of 38%, even with notable differences between the simulation and real-world data. Videos and additional results can be found at https://co-training.github.io/
Authors: Rory Clements, James Ellis, Geoff Hassall, Simon Horsley, Gavin Tabor
Abstract: In this paper, we introduce a formulation of Physics-Informed Neural Networks (PINNs), based on learning the form of the Fourier decomposition, and a training methodology based on a spread of randomly chosen boundary conditions. By training in this way we produce a PINN that generalises; after training it can be used to correctly predict the solution for an arbitrary set of boundary conditions and interpolate this solution between the samples that spanned the training domain. We demonstrate for a toy system of two coupled oscillators that this gives the PINN formulation genuine predictive capability owing to an effective reduction of the training to evaluation times ratio due to this decoupling of the solution from specific boundary conditions.