Authors: Emanuele Carlini, Domenico Di Gangi, Vinicius Monteiro de Lira, Hanna Kavalionak, Gabriel Spadon, Amilcar Soares
Abstract: Seaports play a crucial role in the global economy, and researchers have sought to understand their significance through various studies. In this paper, we aim to explore the common characteristics shared by important ports by analyzing the network of connections formed by vessel movement among them. To accomplish this task, we adopt a bottom-up network construction approach that combines three years' worth of AIS (Automatic Identification System) data from around the world, constructing a Ports Network that represents the connections between different ports. Through such representation, we use machine learning to measure the relative significance of different port features. Our model examined such features and revealed that geographical characteristics and the depth of the port are indicators of a port's significance to the Ports Network. Accordingly, this study employs a data-driven approach and utilizes machine learning to provide a comprehensive understanding of the factors contributing to ports' importance. The outcomes of our work are aimed to inform decision-making processes related to port development, resource allocation, and infrastructure planning in the industry.
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. See https://huggingface.co/open-machine/FlashNorm for code and more transformer tricks.
Authors: Sitao Luan, Chenqing Hua, Qincheng Lu, Liheng Ma, Lirong Wu, Xinyu Wang, Minkai Xu, Xiao-Wen Chang, Doina Precup, Rex Ying, Stan Z. Li, Jian Tang, Guy Wolf, Stefanie Jegelka
Abstract: Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural Networks (NNs) on graph-structured data, especially on node-level tasks. However, recent work has identified a non-trivial set of datasets where GNN's performance compared to the NN's is not satisfactory. Heterophily, i.e. low homophily, has been considered the main cause of this empirical observation. People have begun to revisit and re-evaluate most existing graph models, including graph transformer and its variants, in the heterophily scenario across various kinds of graphs, e.g. heterogeneous graphs, temporal graphs and hypergraphs. Moreover, numerous graph-related applications are found to be closely related to the heterophily problem. In the past few years, considerable effort has been devoted to studying and addressing the heterophily issue. In this survey, we provide a comprehensive review of the latest progress on heterophilic graph learning, including an extensive summary of benchmark datasets and evaluation of homophily metrics on synthetic graphs, meticulous classification of the most updated supervised and unsupervised learning methods, thorough digestion of the theoretical analysis on homophily/heterophily, and broad exploration of the heterophily-related applications. Notably, through detailed experiments, we are the first to categorize benchmark heterophilic datasets into three sub-categories: malignant, benign and ambiguous heterophily. Malignant and ambiguous datasets are identified as the real challenging datasets to test the effectiveness of new models on the heterophily challenge. Finally, we propose several challenges and future directions for heterophilic graph representation learning.
Authors: Christina X Ji, Ahmed M Alaa, David Sontag
Abstract: Distribution shift over time occurs in many settings. Leveraging historical data is necessary to learn a model for the last time point when limited data is available in the final period, yet few methods have been developed specifically for this purpose. In this work, we construct a benchmark with different sequences of synthetic shifts to evaluate the effectiveness of 3 classes of methods that 1) learn from all data without adapting to the final period, 2) learn from historical data with no regard to the sequential nature and then adapt to the final period, and 3) leverage the sequential nature of historical data when tailoring a model to the final period. We call this benchmark Seq-to-Final to highlight the focus on using a sequence of time periods to learn a model for the final time point. Our synthetic benchmark allows users to construct sequences with different types of shift and compare different methods. We focus on image classification tasks using CIFAR-10 and CIFAR-100 as the base images for the synthetic sequences. We also evaluate the same methods on the Portraits dataset to explore the relevance to real-world shifts over time. Finally, we create a visualization to contrast the initializations and updates from different methods at the final time step. Our results suggest that, for the sequences in our benchmark, methods that disregard the sequential structure and adapt to the final time point tend to perform well. The approaches we evaluate that leverage the sequential nature do not offer any improvement. We hope that this benchmark will inspire the development of new algorithms that are better at leveraging sequential historical data or a deeper understanding of why methods that disregard the sequential nature are able to perform well.
Authors: Ning Wang, Shanghao Shi, Yang Xiao, Yimin Chen, Y. Thomas Hou, Wenjing Lou
Abstract: Federated learning, while being a promising approach for collaborative model training, is susceptible to poisoning attacks due to its decentralized nature. Backdoor attacks, in particular, have shown remarkable stealthiness, as they selectively compromise predictions for inputs containing triggers. Previous endeavors to detect and mitigate such attacks are based on the Independent and Identically Distributed (IID) data assumption where benign model updates exhibit high-level similarity in multiple feature spaces due to IID data. Thus, outliers are detected as backdoor attacks. Nevertheless, non-IID data presents substantial challenges in backdoor attack detection, as the data variety introduces variance among benign models, making outlier detection-based mechanisms less effective. We propose a novel distribution-aware anomaly detection mechanism, BoBa, to address this problem. In order to differentiate outliers arising from data variety versus backdoor attack, we propose to break down the problem into two steps: clustering clients utilizing their data distribution followed by a voting-based detection. Based on the intuition that clustering and subsequent backdoor detection can drastically benefit from knowing client data distributions, we propose a novel data distribution inference mechanism. To improve detection robustness, we introduce an overlapping clustering method, where each client is associated with multiple clusters, ensuring that the trustworthiness of a model update is assessed collectively by multiple clusters rather than a single cluster. Through extensive evaluations, we demonstrate that BoBa can reduce the attack success rate to lower than 0.001 while maintaining high main task accuracy across various attack strategies and experimental settings.
Authors: Mikhail Andronov, Natalia Andronova, Michael Wand, J\"urgen Schmidhuber, Djork-Arn\`e Clevert
Abstract: Template-free SMILES-to-SMILES translation models for reaction prediction and single-step retrosynthesis are of interest for industrial applications in computer-aided synthesis planning systems due to their state-of-the-art accuracy. However, they suffer from slow inference speed. We present a method to accelerate inference in autoregressive SMILES generators through speculative decoding by copying query string subsequences into target strings in the right places. We apply our method to the molecular transformer implemented in Pytorch Lightning and achieve over 3X faster inference in reaction prediction and single-step retrosynthesis, with no loss in accuracy.
Authors: Changyu Gao, Andrew Lowy, Xingyu Zhou, Stephen J. Wright
Abstract: We revisit the problem of federated learning (FL) with private data from people who do not trust the server or other silos/clients. In this context, every silo (e.g. hospital) has data from several people (e.g. patients) and needs to protect the privacy of each person's data (e.g. health records), even if the server and/or other silos try to uncover this data. Inter-Silo Record-Level Differential Privacy (ISRL-DP) prevents each silo's data from being leaked, by requiring that silo i's communications satisfy item-level differential privacy. Prior work arXiv:2203.06735 characterized the optimal excess risk bounds for ISRL-DP algorithms with homogeneous (i.i.d.) silo data and convex loss functions. However, two important questions were left open: (1) Can the same excess risk bounds be achieved with heterogeneous (non-i.i.d.) silo data? (2) Can the optimal risk bounds be achieved with fewer communication rounds? In this paper, we give positive answers to both questions. We provide novel ISRL-DP FL algorithms that achieve the optimal excess risk bounds in the presence of heterogeneous silo data. Moreover, our algorithms are more communication-efficient than the prior state-of-the-art. For smooth loss functions, our algorithm achieves the optimal excess risk bound and has communication complexity that matches the non-private lower bound. Additionally, our algorithms are more computationally efficient than the previous state-of-the-art.
Authors: Charles Dickens, Connor Pryor, Changyu Gao, Alon Albalak, Eriq Augustine, William Wang, Stephen Wright, Lise Getoor
Abstract: The field of Neural-Symbolic (NeSy) systems is growing rapidly. Proposed approaches show great promise in achieving symbiotic unions of neural and symbolic methods. However, each NeSy system differs in fundamental ways. There is a pressing need for a unifying theory to illuminate the commonalities and differences in approaches and enable further progress. In this paper, we introduce Neural-Symbolic Energy-Based Models (NeSy-EBMs), a unifying mathematical framework for discriminative and generative modeling with probabilistic and non-probabilistic NeSy approaches. We utilize NeSy-EBMs to develop a taxonomy of modeling paradigms focusing on a system's neural-symbolic interface and reasoning capabilities. Additionally, we introduce a suite of learning techniques for NeSy-EBMs. Importantly, NeSy-EBMs allow the derivation of general expressions for gradients of prominent learning losses, and we provide four learning approaches that leverage methods from multiple domains, including bilevel and stochastic policy optimization. Finally, we present Neural Probabilistic Soft Logic (NeuPSL), an open-source NeSy-EBM library designed for scalability and expressivity, facilitating real-world application of NeSy systems. Through extensive empirical analysis across multiple datasets, we demonstrate the practical advantages of NeSy-EBMs in various tasks, including image classification, graph node labeling, autonomous vehicle situation awareness, and question answering.
Authors: Chengyuan Deng, Zhengzhang Chen, Xujiang Zhao, Haoyu Wang, Junxiang Wang, Haifeng Chen, Jie Gao
Abstract: The objective of change point detection is to identify abrupt changes at potentially multiple points within a data sequence. This task is particularly challenging in the online setting where various types of changes can occur, including shifts in both the marginal and joint distributions of the data. This paper tackles these challenges by sequentially tracking correlation matrices on the Riemannian geometry, where the geodesic distances accurately capture the development of correlations. We propose Rio-CPD, a non-parametric correlation-aware online change point detection framework that combines the Riemannian geometry of the manifold of symmetric positive definite matrices and the cumulative sum statistic (CUSUM) for detecting change points. Rio-CPD enhances CUSUM by computing the geodesic distance from present observations to the Fr\'echet mean of previous observations. With careful choice of metrics equipped to the Riemannian geometry, Rio-CPD is simple and computationally efficient. Experimental results on both synthetic and real-world datasets demonstrate that Rio-CPD outperforms existing methods in detection accuracy and efficiency.
Authors: Parham Mohammad Panahi, Andrew Patterson, Martha White, Adam White
Abstract: Experience replay is ubiquitous in reinforcement learning, to reuse past data and improve sample efficiency. Though a variety of smart sampling schemes have been introduced to improve performance, uniform sampling by far remains the most common approach. One exception is Prioritized Experience Replay (PER), where sampling is done proportionally to TD errors, inspired by the success of prioritized sweeping in dynamic programming. The original work on PER showed improvements in Atari, but follow-up results are mixed. In this paper, we investigate several variations on PER, to attempt to understand where and when PER may be useful. Our findings in prediction tasks reveal that while PER can improve value propagation in tabular settings, behavior is significantly different when combined with neural networks. Certain mitigations -- like delaying target network updates to control generalization and using estimates of expected TD errors in PER to avoid chasing stochasticity -- can avoid large spikes in error with PER and neural networks, but nonetheless generally do not outperform uniform replay. In control tasks, none of the prioritized variants consistently outperform uniform replay.
Authors: Lecheng Kong, Jiarui Feng, Hao Liu, Chengsong Huang, Jiaxin Huang, Yixin Chen, Muhan Zhang
Abstract: Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive structure, posing great challenges to developing a Graph Foundation Model (GFM). For example, current attempts at designing general graph models either transform graph data into a language format for LLM-based prediction or still train a GNN model with LLM as an assistant. The former can handle unlimited tasks, while the latter captures graph structure much better -- yet, no existing work can achieve both simultaneously. In this paper, we identify three key desirable properties of a GFM: self-supervised pretraining, fluidity in tasks, and graph awareness. To account for these properties, we extend the conventional language modeling to the graph domain and propose a novel generative graph language model GOFA to solve the problem. The model interleaves randomly initialized GNN layers into a frozen pre-trained LLM so that the semantic and structural modeling abilities are organically combined. GOFA is pre-trained on newly proposed graph-level next-word prediction, question-answering, and structural tasks to obtain the above GFM properties. The pre-trained model is further fine-tuned on downstream tasks to obtain task-solving ability. The fine-tuned model is evaluated on various downstream tasks, demonstrating a strong ability to solve structural and contextual problems in zero-shot scenarios. The code is available at https://github.com/JiaruiFeng/GOFA.
Authors: Yash Patawari Jain, Daniele Grandi, Allin Groom, Brandon Cramer, Christopher McComb
Abstract: Material selection plays a pivotal role in many industries, from manufacturing to construction. Material selection is usually carried out after several cycles of conceptual design, during which designers iteratively refine the design solution and the intended manufacturing approach. In design research, material selection is typically treated as an optimization problem with a single correct answer. Moreover, it is also often restricted to specific types of objects or design functions, which can make the selection process computationally expensive and time-consuming. In this paper, we introduce MSEval, a novel dataset which is comprised of expert material evaluations across a variety of design briefs and criteria. This data is designed to serve as a benchmark to facilitate the evaluation and modification of machine learning models in the context of material selection for conceptual design.
Authors: Syrine Belakaria, Benjamin Letham, Janardhan Rao Doppa, Barbara Engelhardt, Stefano Ermon, Eytan Bakshy
Abstract: We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the impact of the thickness of various components on safety objectives. Since function evaluations are expensive, we use active learning to prioritize experimental resources where they yield the most value. We propose novel active learning acquisition functions that directly target key quantities of derivative-based global sensitivity measures (DGSMs) under Gaussian process surrogate models. We showcase the first application of active learning directly to DGSMs, and develop tractable uncertainty reduction and information gain acquisition functions for these measures. Through comprehensive evaluation on synthetic and real-world problems, our study demonstrates how these active learning acquisition strategies substantially enhance the sample efficiency of DGSM estimation, particularly with limited evaluation budgets. Our work paves the way for more efficient and accurate sensitivity analysis in various scientific and engineering applications.
Authors: Ahsan Shehzad, Feng Xia, Shagufta Abid, Ciyuan Peng, Shuo Yu, Dongyu Zhang, Karin Verspoor
Abstract: Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility across various graph-related tasks. This survey provides an in-depth review of recent progress and challenges in graph transformer research. We begin with foundational concepts of graphs and transformers. We then explore design perspectives of graph transformers, focusing on how they integrate graph inductive biases and graph attention mechanisms into the transformer architecture. Furthermore, we propose a taxonomy classifying graph transformers based on depth, scalability, and pre-training strategies, summarizing key principles for effective development of graph transformer models. Beyond technical analysis, we discuss the applications of graph transformer models for node-level, edge-level, and graph-level tasks, exploring their potential in other application scenarios as well. Finally, we identify remaining challenges in the field, such as scalability and efficiency, generalization and robustness, interpretability and explainability, dynamic and complex graphs, as well as data quality and diversity, charting future directions for graph transformer research.
Authors: Manjunath Mahendra, Chaithra Umesh, Saptarshi Bej, Kristian Schultz, Olaf Wolkenhauer
Abstract: Generating synthetic samples from the convex space of the minority class is a popular oversampling approach for imbalanced classification problems. Recently, deep-learning approaches have been successfully applied to modeling the convex space of minority samples. Beyond oversampling, learning the convex space of neighborhoods in training data has not been used to generate entire tabular datasets. In this paper, we introduce a deep learning architecture (NextConvGeN) with a generator and discriminator component that can generate synthetic samples by learning to model the convex space of tabular data. The generator takes data neighborhoods as input and creates synthetic samples within the convex space of that neighborhood. Thereafter, the discriminator tries to classify these synthetic samples against a randomly sampled batch of data from the rest of the data space. We compared our proposed model with five state-of-the-art tabular generative models across ten publicly available datasets from the biomedical domain. Our analysis reveals that synthetic samples generated by NextConvGeN can better preserve classification and clustering performance across real and synthetic data than other synthetic data generation models. Synthetic data generation by deep learning of the convex space produces high scores for popular utility measures. We further compared how diverse synthetic data generation strategies perform in the privacy-utility spectrum and produced critical arguments on the necessity of high utility models. Our research on deep learning of the convex space of tabular data opens up opportunities in clinical research, machine learning model development, decision support systems, and clinical data sharing.
Authors: Jiahuan Yan, Jintai Chen, Qianxing Wang, Danny Z. Chen, Jian Wu
Abstract: Tabular datasets play a crucial role in various applications. Thus, developing efficient, effective, and widely compatible prediction algorithms for tabular data is important. Currently, two prominent model types, Gradient Boosted Decision Trees (GBDTs) and Deep Neural Networks (DNNs), have demonstrated performance advantages on distinct tabular prediction tasks. However, selecting an effective model for a specific tabular dataset is challenging, often demanding time-consuming hyperparameter tuning. To address this model selection dilemma, this paper proposes a new framework that amalgamates the advantages of both GBDTs and DNNs, resulting in a DNN algorithm that is as efficient as GBDTs and is competitively effective regardless of dataset preferences for GBDTs or DNNs. Our idea is rooted in an observation that deep learning (DL) offers a larger parameter space that can represent a well-performing GBDT model, yet the current back-propagation optimizer struggles to efficiently discover such optimal functionality. On the other hand, during GBDT development, hard tree pruning, entropy-driven feature gate, and model ensemble have proved to be more adaptable to tabular data. By combining these key components, we present a Tree-hybrid simple MLP (T-MLP). In our framework, a tensorized, rapidly trained GBDT feature gate, a DNN architecture pruning approach, as well as a vanilla back-propagation optimizer collaboratively train a randomly initialized MLP model. Comprehensive experiments show that T-MLP is competitive with extensively tuned DNNs and GBDTs in their dominating tabular benchmarks (88 datasets) respectively, all achieved with compact model storage and significantly reduced training duration.
Authors: Shentong Mo, Russ Salakhutdinov, Louis-Philippe Morency, Paul Pu Liang
Abstract: The Internet of Things (IoT) network integrating billions of smart physical devices embedded with sensors, software, and communication technologies is a critical and rapidly expanding component of our modern world. The IoT ecosystem provides a rich source of real-world modalities such as motion, thermal, geolocation, imaging, depth, sensors, and audio to recognize the states of humans and physical objects. Machine learning presents a rich opportunity to automatically process IoT data at scale, enabling efficient inference for understanding human wellbeing, controlling physical devices, and interconnecting smart cities. To realize this potential, we introduce IoT-LM, an open-source large multisensory language model tailored for the IoT ecosystem. IoT-LM is enabled by two technical contributions: the first is MultiIoT, the most expansive unified IoT dataset to date, encompassing over 1.15 million samples from 12 modalities and 8 tasks prepared for multisensory pre-training and instruction-tuning. The second is a new multisensory multitask adapter layer to condition pre-trained large language models on multisensory IoT data. Not only does IoT-LM yield substantial improvements on 8 supervised IoT classification tasks, but it also demonstrates new interactive question-answering, reasoning, and dialog capabilities conditioned on IoT sensors. We release IoT-LM's data sources and new multisensory language modeling framework.
Authors: Yiping Meng, Yiming Sun
Abstract: Free-form structural forms are widely used to design spatial structures for their irregular spatial morphology. Current free-form form-finding methods cannot adequately meet the material properties, structural requirements or construction conditions, which brings the deviation between the initial 3D geometric design model and the constructed free-form structure. Thus, the main focus of this paper is to improve the rationality of free-form morphology considering multiple objectives in line with the characteristics and constraints of material. In this paper, glued laminated timber is selected as a case. Firstly, machine learning is adopted based on the predictive capability. By selecting a free-form timber grid structure and following the principles of NURBS, the free-form structure is simplified into free-form curves. The transformer is selected to train and predict the curvatures of the curves considering the material characteristics. After predicting the curvatures, the curves are transformed into vectors consisting of control points, weights, and knot vectors. To ensure the constructability and robustness of the structure, minimising the mass of the structure, stress and strain energy are the optimisation objectives. Two parameters (weight and the z-coordinate of the control points) of the free-from morphology are extracted as the variables of the free-form morphology to conduct the optimisation. The evaluation algorithm was selected as the optimal tool due to its capability to optimise multiple parameters. While optimising the two variables, the mechanical performance evaluation indexes such as the maximum displacement in the z-direction are demonstrated in the 60th step. The optimisation results for structure mass, stress and strain energy after 60 steps show the tendency of oscillation convergence, which indicates the efficiency of the proposal multi-objective optimisation.
Authors: Zhicheng Yang, Yinya Huang, Wei Shi, Liang Feng, Linqi Song, Yiwei Wang, Xiaodan Liang, Jing Tang
Abstract: Large language models (LLMs) have exhibited their problem-solving ability in mathematical reasoning. Solving realistic optimization (OPT) problems in industrial application scenarios requires advanced and applied math ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose E-OPT, a benchmark for end-to-end optimization problem-solving with human-readable inputs and outputs. E-OPT contains rich optimization problems, including linear/nonlinear programming with/without table data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to correctly understand the problem in E-OPT and call code solver to get precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-2-7b and Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a novel data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, ReSocratic first incrementally synthesizes optimization scenarios with mathematical formulations step by step and then back-translates the generated scenarios into questions. In such a way, we construct the ReSocratic-29k dataset from a small seed sample pool with the powerful open-source large model DeepSeek-V2. To demonstrate the effectiveness of ReSocratic, we conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. The results show that Llama3-8b is significantly improved from 13.6% to 51.7% on E-OPT, while DeepSeek-V2 reaches 61.0%, approaching 65.5% of GPT-4.
Authors: Wenda Li, Kaixuan Chen, Shunyu Liu, Tongya Zheng, Wenjie Huang, Mingli Song
Abstract: Mini-batch Graph Transformer (MGT), as an emerging graph learning model, has demonstrated significant advantages in semi-supervised node prediction tasks with improved computational efficiency and enhanced model robustness. However, existing methods for processing local information either rely on sampling or simple aggregation, which respectively result in the loss and squashing of critical neighbor information.Moreover, the limited number of nodes in each mini-batch restricts the model's capacity to capture the global characteristic of the graph. In this paper, we propose LGMformer, a novel MGT model that employs a two-stage augmented interaction strategy, transitioning from local to global perspectives, to address the aforementioned bottlenecks.The local interaction augmentation (LIA) presents a neighbor-target interaction Transformer (NTIformer) to acquire an insightful understanding of the co-interaction patterns between neighbors and the target node, resulting in a locally effective token list that serves as input for the MGT. In contrast, global interaction augmentation (GIA) adopts a cross-attention mechanism to incorporate entire graph prototypes into the target node epresentation, thereby compensating for the global graph information to ensure a more comprehensive perception. To this end, LGMformer achieves the enhancement of node representations under the MGT paradigm.Experimental results related to node classification on the ten benchmark datasets demonstrate the effectiveness of the proposed method. Our code is available at https://github.com/l-wd/LGMformer.
Authors: Riccardo De Santi, Manish Prajapat, Andreas Krause
Abstract: In classic Reinforcement Learning (RL), the agent maximizes an additive objective of the visited states, e.g., a value function. Unfortunately, objectives of this type cannot model many real-world applications such as experiment design, exploration, imitation learning, and risk-averse RL to name a few. This is due to the fact that additive objectives disregard interactions between states that are crucial for certain tasks. To tackle this problem, we introduce Global RL (GRL), where rewards are globally defined over trajectories instead of locally over states. Global rewards can capture negative interactions among states, e.g., in exploration, via submodularity, positive interactions, e.g., synergetic effects, via supermodularity, while mixed interactions via combinations of them. By exploiting ideas from submodular optimization, we propose a novel algorithmic scheme that converts any GRL problem to a sequence of classic RL problems and solves it efficiently with curvature-dependent approximation guarantees. We also provide hardness of approximation results and empirically demonstrate the effectiveness of our method on several GRL instances.
Authors: Riccardo Ali, Paulina Kulyt\.e, Haitz S\'aez de Oc\'ariz Borde, Pietro Li\`o
Abstract: Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural representations. In principle, this formulation generalizes to orthogonal groups and preserves equivariance regardless of the metric signature. However, previous works have restricted internal network representations to Euclidean or Minkowski (pseudo-)metrics, handpicked depending on the problem at hand. In this work, we propose an alternative method that enables the metric to be learned in a data-driven fashion, allowing the CGENN network to learn more flexible representations. Specifically, we populate metric matrices fully, ensuring they are symmetric by construction, and leverage eigenvalue decomposition to integrate this additional learnable component into the original CGENN formulation in a principled manner. Additionally, we motivate our method using insights from category theory, which enables us to explain Clifford algebras as a categorical construction and guarantee the mathematical soundness of our approach. We validate our method in various tasks and showcase the advantages of learning more flexible latent metric representations. The code and data are available at https://github.com/rick-ali/Metric-Learning-for-CGENNs
URLs: https://github.com/rick-ali/Metric-Learning-for-CGENNs
Authors: Emine Akpinar, Sardar M. N. Islam, Murat Oduncuoglu
Abstract: The support vector machine algorithm with a quantum kernel estimator (QSVM-Kernel), as a leading example of a quantum machine learning technique, has undergone significant advancements. Nevertheless, its integration with classical data presents unique challenges. While quantum computers primarily interact with data in quantum states, embedding classical data into quantum states using feature mapping techniques is essential for leveraging quantum algorithms Despite the recognized importance of feature mapping, its specific impact on data classification outcomes remains largely unexplored. This study addresses this gap by comprehensively assessing the effects of various feature mapping methods on classification results, taking medical data analysis as a case study. In this study, the QSVM-Kernel method was applied to classification problems in two different and publicly available medical datasets, namely, the Wisconsin Breast Cancer (original) and The Cancer Genome Atlas (TCGA) Glioma datasets. In the QSVM-Kernel algorithm, quantum kernel matrices obtained from 9 different quantum feature maps were used. Thus, the effects of these quantum feature maps on the classification results of the QSVM-Kernel algorithm were examined in terms of both classifier performance and total execution time. As a result, in the Wisconsin Breast Cancer (original) and TCGA Glioma datasets, when Rx and Ry rotational gates were used, respectively, as feature maps in the QSVM-Kernel algorithm, the best classification performances were achieved both in terms of classification performance and total execution time. The contributions of this study are that (1) it highlights the significant impact of feature mapping techniques on medical data classification outcomes using the QSVM-Kernel algorithm, and (2) it also guides undertaking research for improved QSVM classification performance.
Authors: Sukjun Hwang, Aakash Lahoti, Tri Dao, Albert Gu
Abstract: A wide array of sequence models are built on a framework modeled after Transformers, comprising alternating sequence mixer and channel mixer layers. This paper studies a unifying matrix mixer view of sequence mixers that can be conceptualized as a linear map on the input sequence. This framework encompasses a broad range of well-known sequence models, including the self-attention of Transformers as well as recent strong alternatives such as structured state space models (SSMs), and allows understanding downstream characteristics such as efficiency and expressivity through properties of their structured matrix class. We identify a key axis of matrix parameterizations termed sequence alignment, which increases the flexibility and performance of matrix mixers, providing insights into the strong performance of Transformers and recent SSMs such as Mamba. Furthermore, the matrix mixer framework offers a systematic approach to developing sequence mixers with desired properties, allowing us to develop several new sub-quadratic sequence models. In particular, we propose a natural bidirectional extension of the Mamba model (Hydra), parameterized as a quasiseparable matrix mixer, which demonstrates superior performance over other sequence models including Transformers on non-causal tasks. As a drop-in replacement for attention layers, Hydra outperforms BERT by 0.8 points on the GLUE benchmark and ViT by 2% Top-1 accuracy on ImageNet.
Authors: Seyed Muhammad Hossein Mousavi
Abstract: Emotion recognition is the technology-driven process of identifying and categorizing human emotions from various data sources, such as facial expressions, voice patterns, body motion, and physiological signals, such as EEG. These physiological indicators, though rich in data, present challenges due to their complexity and variability, necessitating sophisticated feature selection and extraction methods. NGN, an unsupervised learning algorithm, effectively adapts to input spaces without predefined grid structures, improving feature extraction from physiological data. Furthermore, the incorporation of fuzzy logic enables the handling of fuzzy data by introducing reasoning that mimics human decision-making. The combination of PSO with XGBoost aids in optimizing model performance through efficient hyperparameter tuning and decision process optimization. This study explores the integration of Neural-Gas Network (NGN), XGBoost, Particle Swarm Optimization (PSO), and fuzzy logic to enhance emotion recognition using physiological signals. Our research addresses three critical questions concerning the improvement of XGBoost with PSO and fuzzy logic, NGN's effectiveness in feature selection, and the performance comparison of the PSO-fuzzy XGBoost classifier with standard benchmarks. Acquired results indicate that our methodologies enhance the accuracy of emotion recognition systems and outperform other feature selection techniques using the majority of classifiers, offering significant implications for both theoretical advancement and practical application in emotion recognition technology.
Authors: Shanghao Shi, Md Shahedul Haque, Abhijeet Parida, Marius George Linguraru, Y. Thomas Hou, Syed Muhammad Anwar, Wenjing Lou
Abstract: Federated learning (FL) allows a set of clients to collaboratively train a machine-learning model without exposing local training samples. In this context, it is considered to be privacy-preserving and hence has been adopted by medical centers to train machine-learning models over private data. However, in this paper, we propose a novel attack named MediLeak that enables a malicious parameter server to recover high-fidelity patient images from the model updates uploaded by the clients. MediLeak requires the server to generate an adversarial model by adding a crafted module in front of the original model architecture. It is published to the clients in the regular FL training process and each client conducts local training on it to generate corresponding model updates. Then, based on the FL protocol, the model updates are sent back to the server and our proposed analytical method recovers private data from the parameter updates of the crafted module. We provide a comprehensive analysis for MediLeak and show that it can successfully break the state-of-the-art cryptographic secure aggregation protocols, designed to protect the FL systems from privacy inference attacks. We implement MediLeak on the MedMNIST and COVIDx CXR-4 datasets. The results show that MediLeak can nearly perfectly recover private images with high recovery rates and quantitative scores. We further perform downstream tasks such as disease classification with the recovered data, where our results show no significant performance degradation compared to using the original training samples.
Authors: Kaifu Wang, Efthymia Tsamoura, Dan Roth
Abstract: Multi-Instance Partial Label Learning (MI-PLL) is a weakly-supervised learning setting encompassing partial label learning, latent structural learning, and neurosymbolic learning. Differently from supervised learning, in MI-PLL, the inputs to the classifiers at training-time are tuples of instances $\textbf{x}$, while the supervision signal is generated by a function $\sigma$ over the gold labels of $\textbf{x}$. The gold labels are hidden during training. In this paper, we focus on characterizing and mitigating learning imbalances, i.e., differences in the errors occurring when classifying instances of different classes (aka class-specific risks), under MI-PLL. The phenomenon of learning imbalances has been extensively studied in the context of long-tail learning; however, the nature of MI-PLL introduces new challenges. Our contributions are as follows. From a theoretical perspective, we characterize the learning imbalances by deriving class-specific risk bounds that depend upon the function $\sigma$. Our theory reveals that learning imbalances exist in MI-PLL even when the hidden labels are uniformly distributed. On the practical side, we introduce a technique for estimating the marginal of the hidden labels using only MI-PLL data. Then, we introduce algorithms that mitigate imbalances at training- and testing-time, by treating the marginal of the hidden labels as a constraint. The first algorithm relies on a novel linear programming formulation of MI-PLL for pseudo-labeling. The second one adjusts a model's scores based on robust optimal transport. We demonstrate the effectiveness of our techniques using strong neurosymbolic and long-tail learning baselines, discussing also open challenges.
Authors: Yingcong Li, Ankit Singh Rawat, Samet Oymak
Abstract: Recent research has shown that Transformers with linear attention are capable of in-context learning (ICL) by implementing a linear estimator through gradient descent steps. However, the existing results on the optimization landscape apply under stylized settings where task and feature vectors are assumed to be IID and the attention weights are fully parameterized. In this work, we develop a stronger characterization of the optimization and generalization landscape of ICL through contributions on architectures, low-rank parameterization, and correlated designs: (1) We study the landscape of 1-layer linear attention and 1-layer H3, a state-space model. Under a suitable correlated design assumption, we prove that both implement 1-step preconditioned gradient descent. We show that thanks to its native convolution filters, H3 also has the advantage of implementing sample weighting and outperforming linear attention in suitable settings. (2) By studying correlated designs, we provide new risk bounds for retrieval augmented generation (RAG) and task-feature alignment which reveal how ICL sample complexity benefits from distributional alignment. (3) We derive the optimal risk for low-rank parameterized attention weights in terms of covariance spectrum. Through this, we also shed light on how LoRA can adapt to a new distribution by capturing the shift between task covariances. Experimental results corroborate our theoretical findings. Overall, this work explores the optimization and risk landscape of ICL in practically meaningful settings and contributes to a more thorough understanding of its mechanics.
Authors: Tianyi Zhang, Anshumali Shrivastava
Abstract: Large language models (LLMs) have numerous applications across various domains, but their high computational and memory demands pose significant deployment challenges. Weight quantization is an effective technique for reducing the decoding latency and memory requirements of LLMs. Existing approaches primarily aim to maintain the quality of quantized models by preserving outliers in input features, but they still suffer significant quality loss at lower bit widths. Our approach builds on Optimal Brain Quantization (OBQ), an iterative weight-update-based quantization framework. We identify a key limitation of OBQ, specifically that its uniform quantization grid is suboptimal for maintaining model quality, as it introduces large errors to the task loss. To address this, we propose LeanQuant, which learns a loss-error-aware quantization grid by leveraging the inverse diagonal Hessian. Extensive empirical evaluations demonstrate that LeanQuant is both efficient and accurate; it can quantize a 70-billion-parameter model in 6 hours using a single 32GB GPU and performs favorably compared to competitive baselines in the 4-bit, 3-bit, and 2-bit regions.
Authors: Tolulope Ale (University of Maryland Baltimore County Baltimore MD USA), Nicole-Jeanne Schlegel (National Oceanic and Atmospheric Administration Geophysical Fluid Dynamics Laboratory Princeton NJ USA), Vandana P. Janeja (University of Maryland Baltimore County Baltimore MD USA)
Abstract: We introduce an anomaly detection method for multivariate time series data with the aim of identifying critical periods and features influencing extreme climate events like snowmelt in the Arctic. This method leverages the Variational Autoencoder (VAE) integrated with dynamic thresholding and correlation-based feature clustering. This framework enhances the VAE's ability to identify localized dependencies and learn the temporal relationships in climate data, thereby improving the detection of anomalies as demonstrated by its higher F1-score on benchmark datasets. The study's main contributions include the development of a robust anomaly detection method, improving feature representation within VAEs through clustering, and creating a dynamic threshold algorithm for localized anomaly detection. This method offers explainability of climate anomalies across different regions.
Authors: Yuhuan Zhou, Yulin Wu, Weiwei Yuan, Xuan Wang, Junyi Li
Abstract: Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of structure-based, ligand-based and network-based approaches have now emerged. Furthermore, the integration of graph attention networks with intricate drug target studies is an application area of growing interest. In our work, we formulate a model called MKDTI by extracting kernel information from various layer embeddings of a graph attention network. This combination improves the prediction ability with respect to novel drug-target relationships. We first build a drug-target heterogeneous network using heterogeneous data of drugs and targets, and then use a self-enhanced multi-head graph attention network to extract potential features in each layer. Next, we utilize embeddings of each layer to computationally extract kernel matrices and fuse multiple kernel matrices. Finally, we use a Dual Laplacian Regularized Least Squares framework to forecast novel drug-target entity connections. This prediction can be facilitated by integrating the kernel matrix associated with the drug-target. We measured our model's efficacy using AUPR and AUC. Compared to the benchmark algorithms, our model outperforms them in the prediction outcomes. In addition, we conducted an experiment on kernel selection. The results show that the multi-kernel fusion approach combined with the kernel matrix generated by the graph attention network provides complementary insights into the model. The fusion of this information helps to enhance the accuracy of the predictions.
Authors: Pratik Rathore, Zachary Frangella, Madeleine Udell
Abstract: Kernel ridge regression (KRR) is a fundamental computational tool, appearing in problems that range from computational chemistry to health analytics, with a particular interest due to its starring role in Gaussian process regression. However, it is challenging to scale KRR solvers to large datasets: with $n$ training points, a direct solver (i.e., Cholesky decomposition) uses $O(n^2)$ storage and $O(n^3)$ flops. Iterative methods for KRR, such as preconditioned conjugate gradient (PCG), avoid the cubic scaling of direct solvers and often use low-rank preconditioners; a rank $r$ preconditioner uses $O(rn)$ storage and each iteration requires $O(n^2)$ flops. To reduce the storage and iteration complexity of iterative solvers for KRR, we propose ASkotch ($\textbf{A}$ccelerated $\textbf{s}$calable $\textbf{k}$ernel $\textbf{o}$p$\textbf{t}$imization using block $\textbf{c}$oordinate descent with $\textbf{H}$essian preconditioning). For a given block size $|b| << n$, each iteration of ASkotch uses $O(r|b| + n)$ storage and $O(n|b|)$ flops, so ASkotch scales better than Cholesky decomposition and PCG. We prove that ASkotch obtains linear convergence to the optimum, with the convergence rate depending on the square roots of the $\textit{preconditioned}$ block condition numbers. Furthermore, we solve KRR problems that were considered to be impossibly large while using limited computational resources: we show that ASkotch outperforms PCG methods with respect to generalization error on large-scale KRR (up to $n = 10^8$) and KRR classification tasks (up to $n = 10^7$) while running each of our experiments on $\textit{a single 12 GB Titan V GPU}$. Our work opens up the possibility of as-yet-unimagined applications of KRR across a wide range of disciplines.
Authors: Bla\v{z} \v{S}krlj, Benjamin Ben-Shalom, Grega Ga\v{s}per\v{s}i\v{c}, Adi Schwartz, Ramzi Hoseisi, Naama Ziporin, Davorin Kopi\v{c}, Andra\v{z} Tori
Abstract: Field-aware Factorization Machines (FFMs) have emerged as a powerful model for click-through rate prediction, particularly excelling in capturing complex feature interactions. In this work, we present an in-depth analysis of our in-house, Rust-based Deep FFM implementation, and detail its deployment on a CPU-only, multi-data-center scale. We overview key optimizations devised for both training and inference, demonstrated by previously unpublished benchmark results in efficient model search and online training. Further, we detail an in-house weight quantization that resulted in more than an order of magnitude reduction in bandwidth footprint related to weight transfers across data-centres. We disclose the engine and associated techniques under an open-source license to contribute to the broader machine learning community. This paper showcases one of the first successful CPU-only deployments of Deep FFMs at such scale, marking a significant stride in practical, low-footprint click-through rate prediction methodologies.
Authors: Wenjie Wang, Biwei Huang, Feng Liu, Xinge You, Tongliang Liu, Kun Zhang, Mingming Gong
Abstract: Score-based methods have demonstrated their effectiveness in discovering causal relationships by scoring different causal structures based on their goodness of fit to the data. Recently, Huang et al. proposed a generalized score function that can handle general data distributions and causal relationships by modeling the relations in reproducing kernel Hilbert space (RKHS). The selection of an appropriate kernel within this score function is crucial for accurately characterizing causal relationships and ensuring precise causal discovery. However, the current method involves manual heuristic selection of kernel parameters, making the process tedious and less likely to ensure optimality. In this paper, we propose a kernel selection method within the generalized score function that automatically selects the optimal kernel that best fits the data. Specifically, we model the generative process of the variables involved in each step of the causal graph search procedure as a mixture of independent noise variables. Based on this model, we derive an automatic kernel selection method by maximizing the marginal likelihood of the variables involved in each search step. We conduct experiments on both synthetic data and real-world benchmarks, and the results demonstrate that our proposed method outperforms heuristic kernel selection methods.
Authors: Damien A. Dablain, Nitesh V. Chawla
Abstract: Machine learning (ML) models have difficulty generalizing when the number of training class instances are numerically imbalanced. The problem of generalization in the face of data imbalance has largely been attributed to the lack of training data for under-represented classes and to feature overlap. The typical remedy is to implement data augmentation for classes with fewer instances or to assign a higher cost to minority class prediction errors or to undersample the prevalent class. However, we show that one of the central causes of impaired generalization when learning with imbalanced data is the inherent manner in which ML models perform inference. These models have difficulty generalizing due to their heavy reliance on the magnitude of encoded signals. During inference, the models predict classes based on a combination of encoded signal magnitudes that linearly sum to the largest scalar. We demonstrate that even with aggressive data augmentation, which generally improves minority class prediction accuracy, parametric ML models still associate a class label with a limited number of feature combinations that sum to a prediction, which can affect generalization.
Authors: Vickram N. Premakumar, Michael Vaiana, Florin Pop, Judd Rosenblatt, Diogo Schwerz de Lucena, Kirsten Ziman, Michael S. A. Graziano
Abstract: Self-models have been a topic of great interest for decades in studies of human cognition and more recently in machine learning. Yet what benefits do self-models confer? Here we show that when artificial networks learn to predict their internal states as an auxiliary task, they change in a fundamental way. To better perform the self-model task, the network learns to make itself simpler, more regularized, more parameter-efficient, and therefore more amenable to being predictively modeled. To test the hypothesis of self-regularizing through self-modeling, we used a range of network architectures performing three classification tasks across two modalities. In all cases, adding self-modeling caused a significant reduction in network complexity. The reduction was observed in two ways. First, the distribution of weights was narrower when self-modeling was present. Second, a measure of network complexity, the real log canonical threshold (RLCT), was smaller when self-modeling was present. Not only were measures of complexity reduced, but the reduction became more pronounced as greater training weight was placed on the auxiliary task of self-modeling. These results strongly support the hypothesis that self-modeling is more than simply a network learning to predict itself. The learning has a restructuring effect, reducing complexity and increasing parameter efficiency. This self-regularization may help explain some of the benefits of self-models reported in recent machine learning literature, as well as the adaptive value of self-models to biological systems. In particular, these findings may shed light on the possible interaction between the ability to model oneself and the ability to be more easily modeled by others in a social or cooperative context.
Authors: Marwa Na\"ir, Kamel Yamani, Lynda Said Lhadj, Riyadh Baghdadi
Abstract: Code language models have emerged as useful tools for various programming tasks, yet they often struggle when it comes to complex ones. In this paper, we explore the potential of curriculum learning in enhancing the performance of these models. While prior research has suggested that curriculum learning does not necessarily help in improving the performance of language models, our results surprisingly show that this may not be the case for code language models. We demonstrate that a well-designed curriculum learning approach significantly improves the accuracy of small decoder-only code language models on the task of code execution, while its effect on code completion is less significant. To explore the potential of curriculum learning, we train multiple GPT models with 1 million parameters each to predict the next token and evaluate them on code completion and execution tasks. Our contributions include proposing a novel code difficulty assessment metric by combining software code measures, investigating the effectiveness of Curriculum Learning for code language models, and introducing a Novel Curriculum Learning schedule that enhances the performance of small decoder-only language models in code execution tasks. The results of this paper open the door for more research on the use of curriculum learning for code language models.
Authors: Xun Deng, Junlong Liu, Han Zhong, Fuli Feng, Chen Shen, Xiangnan He, Jieping Ye, Zheng Wang
Abstract: Active clustering aims to boost the clustering performance by integrating human-annotated pairwise constraints through strategic querying. Conventional approaches with semi-supervised clustering schemes encounter high query costs when applied to large datasets with numerous classes. To address these limitations, we propose a novel Adaptive Active Aggregation and Splitting (A3S) framework, falling within the cluster-adjustment scheme in active clustering. A3S features strategic active clustering adjustment on the initial cluster result, which is obtained by an adaptive clustering algorithm. In particular, our cluster adjustment is inspired by the quantitative analysis of Normalized mutual information gain under the information theory framework and can provably improve the clustering quality. The proposed A3S framework significantly elevates the performance and scalability of active clustering. In extensive experiments across diverse real-world datasets, A3S achieves desired results with significantly fewer human queries compared with existing methods.
Authors: Can Xu, Yao Cheng, Jianxiang Yu, Haosen Wang, Jingsong Lv, Xiang Li
Abstract: Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby neglecting the non-negligible role of environment in real-world scenarios. In contrast to previous studies that impose rigid independence assumptions on environments and invariant sub-graphs, this paper presents the theorems of environment-label dependency and mutable rationale invariance, where the former characterizes the usefulness of environments in determining graph labels while the latter refers to the mutable importance of graph rationales. Based on analytic investigations, a novel variational inference based method named ``Probability Dependency on Environments and Rationales for OOD Graphs on Real-world Data'' (DEROG) is introduced. To alleviate the adverse effect of unknown prior knowledge on environments and rationales, DEROG utilizes generalized Bayesian inference. Further, DEROG employs an EM-based algorithm for optimization. Finally, extensive experiments on real-world datasets under different distribution shifts are conducted to show the superiority of DEROG. Our code is publicly available at https://anonymous.4open.science/r/DEROG-536B.
Authors: Jiawei Huang, Vinzenz Thoma, Zebang Shen, Heinrich H. Nax, Niao He
Abstract: Designing incentives for an adapting population is a ubiquitous problem in a wide array of economic applications and beyond. In this work, we study how to design additional rewards to steer multi-agent systems towards desired policies \emph{without} prior knowledge of the agents' underlying learning dynamics. We introduce a model-based non-episodic Reinforcement Learning (RL) formulation for our steering problem. Importantly, we focus on learning a \emph{history-dependent} steering strategy to handle the inherent model uncertainty about the agents' learning dynamics. We introduce a novel objective function to encode the desiderata of achieving a good steering outcome with reasonable cost. Theoretically, we identify conditions for the existence of steering strategies to guide agents to the desired policies. Complementing our theoretical contributions, we provide empirical algorithms to approximately solve our objective, which effectively tackles the challenge in learning history-dependent strategies. We demonstrate the efficacy of our algorithms through empirical evaluations.
Authors: Chongyang Gao, Lixu Wang, Chenkai Weng, Xiao Wang, Qi Zhu
Abstract: While LLMs have demonstrated impressive performance across various domains and tasks, their security issues have become increasingly severe. Machine unlearning (MU) has emerged as a promising solution to address these issues by removing the influence of undesired data on the target model without compromising its utility in other aspects. MU typically assumes full access to the original training data to preserve utility, which is difficult to achieve in LLM unlearning. Existing LLM unlearning methods often assume access to data most affected by undesired data unlearning. However, this assumption underestimates the entanglement among various LLM capabilities and ignores data access limitations due to various issues. Moreover, these LLM unlearning methods do not sufficiently consider that unlearning requests in real-world scenarios are continuously emerging. To overcome these challenges and achieve practical LLM unlearning, we propose the O3 framework. The O3 framework includes an Out-Of-Distribution (OOD) detector to measure the similarity between input and unlearning data, and an Orthogonal low-rank adapter (LoRA) for continuously unlearning requested data. The OOD detector is trained with a novel contrastive entropy loss and utilizes a local-global layer-aggregated scoring mechanism. The orthogonal LoRA achieves parameter disentanglement among continual unlearning requests. During inference, our O3 framework can smartly decide whether and to what extent to load the unlearning LoRA based on the OOD detector's predictions. Notably, O3's effectiveness does not rely on any retained data. We conducted extensive experiments on O3 and state-of-the-art LLM unlearning methods across three tasks and seven datasets. The results indicate that O3 consistently achieves the best trade-off between unlearning effectiveness and utility preservation, especially when facing continuous unlearning requests.
Authors: Musleh Alharthi, Ausif Mahmood
Abstract: In recent years, transformer-based models have gained prominence in multivariate long-term time series forecasting (LTSF), demonstrating significant advancements despite facing challenges such as high computational demands, difficulty in capturing temporal dynamics, and managing long-term dependencies. The emergence of LTSF-Linear, with its straightforward linear architecture, has notably outperformed transformer-based counterparts, prompting a reevaluation of the transformer's utility in time series forecasting. In response, this paper presents an adaptation of a recent architecture termed extended LSTM (xLSTM) for LTSF. xLSTM incorporates exponential gating and a revised memory structure with higher capacity that has good potential for LTSF. Our adopted architecture for LTSF termed as xLSTMTime surpasses current approaches. We compare xLSTMTime's performance against various state-of-the-art models across multiple real-world da-tasets, demonstrating superior forecasting capabilities. Our findings suggest that refined recurrent architectures can offer competitive alternatives to transformer-based models in LTSF tasks, po-tentially redefining the landscape of time series forecasting.
Authors: Fiona Lippert, Bart Kranstauber, Patrick Forr\'e, E. Emiel van Loon
Abstract: Hybrid modeling aims to augment traditional theory-driven models with machine learning components that learn unknown parameters, sub-models or correction terms from data. In this work, we build on FluxRGNN, a recently developed hybrid model of continental-scale bird migration, which combines a movement model inspired by fluid dynamics with recurrent neural networks that capture the complex decision-making processes of birds. While FluxRGNN has been shown to successfully predict key migration patterns, its spatial resolution is constrained by the typically sparse observations obtained from weather radars. Additionally, its trainable components lack explicit incentives to adequately predict take-off and landing events. Both aspects limit our ability to interpret model results ecologically. To address this, we propose two major modifications that allow for more detailed predictions on any desired tessellation while providing control over the interpretability of model components. In experiments on the U.S. weather radar network, the enhanced model effectively leverages the underlying movement model, resulting in strong extrapolation capabilities to unobserved locations.
Authors: Samyak Jain, Ekdeep Singh Lubana, Kemal Oksuz, Tom Joy, Philip H. S. Torr, Amartya Sanyal, Puneet K. Dokania
Abstract: Safety fine-tuning helps align Large Language Models (LLMs) with human preferences for their safe deployment. To better understand the underlying factors that make models safe via safety fine-tuning, we design a synthetic data generation framework that captures salient aspects of an unsafe input by modeling the interaction between the task the model is asked to perform (e.g., ``design'') versus the specific concepts the task is asked to be performed upon (e.g., a ``cycle'' vs. a ``bomb''). Using this, we investigate three well-known safety fine-tuning methods -- supervised safety fine-tuning, direct preference optimization, and unlearning -- and provide significant evidence demonstrating that these methods minimally transform MLP weights to specifically align unsafe inputs into its weights' null space. This yields a clustering of inputs based on whether the model deems them safe or not. Correspondingly, when an adversarial input (e.g., a jailbreak) is provided, its activations are closer to safer samples, leading to the model processing such an input as if it were safe. We validate our findings, wherever possible, on real-world models -- specifically, Llama-2 7B and Llama-3 8B.
Authors: Haozhe Shan, Qianyi Li, Haim Sompolinsky
Abstract: Continual learning (CL) enables animals to learn new tasks without erasing prior knowledge. CL in artificial neural networks (NNs) is challenging due to catastrophic forgetting, where new learning degrades performance on older tasks. While various techniques exist to mitigate forgetting, theoretical insights into when and why CL fails in NNs are lacking. Here, we present a statistical-mechanics theory of CL in deep, wide NNs, which characterizes the network's input-output mapping as it learns a sequence of tasks. It gives rise to order parameters (OPs) that capture how task relations and network architecture influence forgetting and knowledge transfer, as verified by numerical evaluations. We found that the input and rule similarity between tasks have different effects on CL performance. In addition, the theory predicts that increasing the network depth can effectively reduce overlap between tasks, thereby lowering forgetting. For networks with task-specific readouts, the theory identifies a phase transition where CL performance shifts dramatically as tasks become less similar, as measured by the OPs. Sufficiently low similarity leads to catastrophic anterograde interference, where the network retains old tasks perfectly but completely fails to generalize new learning. Our results delineate important factors affecting CL performance and suggest strategies for mitigating forgetting.
Authors: Marawan Elbatel, Hualiang Wang, Jixiang Chen, Hao Wang, Xiaomeng Li
Abstract: Federated semi-supervised learning (FedSemi) refers to scenarios where there may be clients with fully labeled data, clients with partially labeled, and even fully unlabeled clients while preserving data privacy. However, challenges arise from client drift due to undefined heterogeneous class distributions and erroneous pseudo-labels. Existing FedSemi methods typically fail to aggregate models from unlabeled clients due to their inherent unreliability, thus overlooking unique information from their heterogeneous data distribution, leading to sub-optimal results. In this paper, we enable unlabeled client aggregation through SemiAnAgg, a novel Semi-supervised Anchor-Based federated Aggregation. SemiAnAgg learns unlabeled client contributions via an anchor model, effectively harnessing their informative value. Our key idea is that by feeding local client data to the same global model and the same consistently initialized anchor model (i.e., random model), we can measure the importance of each unlabeled client accordingly. Extensive experiments demonstrate that SemiAnAgg achieves new state-of-the-art results on four widely used FedSemi benchmarks, leading to substantial performance improvements: a 9% increase in accuracy on CIFAR-100 and a 7.6% improvement in recall on the medical dataset ISIC-18, compared with prior state-of-the-art. Code is available at: https://github.com/xmed-lab/SemiAnAgg.
Authors: William Basener, Abigail Basener, Michael Luegering
Abstract: Plant phenotyping is the assessment of a plant's traits and plant identification is the process of determining the category such as genus and species. In this paper we present an interpretable neural network trained on the UPWINS spectral library which contains spectra with rich metadata across variation in species, health, growth stage, annual variation, and environmental conditions for 13 selected indicator species and natural common background species. We show that the neurons in the network learn spectral indicators for chemical and physiological traits through visualization of the network weights, and we show how these traits are combined by the network for species identification with an accuracy around 90% on a test set. While neural networks are often perceived as `black box' classifiers, our work shows that they can be in fact more explainable and informative than other machine learning methods. We show that the neurons learn fundamental traits about the vegetation, for example the composition of different types of chlorophyll present which indicates species as well as response to illumination conditions. There is clear excess training capacity in our network, and we expect that as the UPWINS spectral library continues to grow the approach in this paper will provide further foundational insights in understanding plant traits. This provides a methodology for designing and interpreting neural networks on spectral data in general, and provides a framework for using neural networks with hyperspectral imagery for understanding vegetation that is extendable to other domains.
Authors: Tongzheng Ren, Haotian Sun, Antoine Moulin, Arthur Gretton, Bo Dai
Abstract: We address the problem of causal effect estimation where hidden confounders are present, with a focus on two settings: instrumental variable regression with additional observed confounders, and proxy causal learning. Our approach uses a singular value decomposition of a conditional expectation operator, followed by a saddle-point optimization problem, which, in the context of IV regression, can be thought of as a neural net generalization of the seminal approach due to Darolles et al. [2011]. Saddle-point formulations have gathered considerable attention recently, as they can avoid double sampling bias and are amenable to modern function approximation methods. We provide experimental validation in various settings, and show that our approach outperforms existing methods on common benchmarks.
Authors: Kaiwen Wu, Jacob R. Gardner
Abstract: Elliptical slice sampling, when adapted to linearly truncated multivariate normal distributions, is a rejection-free Markov chain Monte Carlo method. At its core, it requires analytically constructing an ellipse-polytope intersection. The main novelty of this paper is an algorithm that computes this intersection in $\mathcal{O}(m \log m)$ time, where $m$ is the number of linear inequality constraints representing the polytope. We show that an implementation based on this algorithm enhances numerical stability, speeds up running time, and is easy to parallelize for launching multiple Markov chains.
Authors: Amritpal Singh
Abstract: Accurate drug target affinity prediction can improve drug candidate selection, accelerate the drug discovery process, and reduce drug production costs. Previous work focused on traditional fingerprints or used features extracted based on the amino acid sequence in the protein, ignoring its 3D structure which affects its binding affinity. In this work, we propose GraphPrint: a framework for incorporating 3D protein structure features for drug target affinity prediction. We generate graph representations for protein 3D structures using amino acid residue location coordinates and combine them with drug graph representation and traditional features to jointly learn drug target affinity. Our model achieves a mean square error of 0.1378 and a concordance index of 0.8929 on the KIBA dataset and improves over using traditional protein features alone. Our ablation study shows that the 3D protein structure-based features provide information complementary to traditional features.
Authors: Jongmin Lee, Amin Rakhsha, Ernest K. Ryu, Amir-massoud Farahmand
Abstract: The Value Iteration (VI) algorithm is an iterative procedure to compute the value function of a Markov decision process, and is the basis of many reinforcement learning (RL) algorithms as well. As the error convergence rate of VI as a function of iteration $k$ is $O(\gamma^k)$, it is slow when the discount factor $\gamma$ is close to $1$. To accelerate the computation of the value function, we propose Deflated Dynamics Value Iteration (DDVI). DDVI uses matrix splitting and matrix deflation techniques to effectively remove (deflate) the top $s$ dominant eigen-structure of the transition matrix $\mathcal{P}^{\pi}$. We prove that this leads to a $\tilde{O}(\gamma^k |\lambda_{s+1}|^k)$ convergence rate, where $\lambda_{s+1}$is $(s+1)$-th largest eigenvalue of the dynamics matrix. We then extend DDVI to the RL setting and present Deflated Dynamics Temporal Difference (DDTD) algorithm. We empirically show the effectiveness of the proposed algorithms.
Authors: Jordan Juravsky, Yunrong Guo, Sanja Fidler, Xue Bin Peng
Abstract: Physically-simulated models for human motion can generate high-quality responsive character animations, often in real-time. Natural language serves as a flexible interface for controlling these models, allowing expert and non-expert users to quickly create and edit their animations. Many recent physics-based animation methods, including those that use text interfaces, train control policies using reinforcement learning (RL). However, scaling these methods beyond several hundred motions has remained challenging. Meanwhile, kinematic animation models are able to successfully learn from thousands of diverse motions by leveraging supervised learning methods. Inspired by these successes, in this work we introduce SuperPADL, a scalable framework for physics-based text-to-motion that leverages both RL and supervised learning to train controllers on thousands of diverse motion clips. SuperPADL is trained in stages using progressive distillation, starting with a large number of specialized experts using RL. These experts are then iteratively distilled into larger, more robust policies using a combination of reinforcement learning and supervised learning. Our final SuperPADL controller is trained on a dataset containing over 5000 skills and runs in real time on a consumer GPU. Moreover, our policy can naturally transition between skills, allowing for users to interactively craft multi-stage animations. We experimentally demonstrate that SuperPADL significantly outperforms RL-based baselines at this large data scale.
Authors: Florian Rupp, Kai Eckert
Abstract: Graph data structures offer a versatile and powerful means to model relationships and interconnections in various domains, promising substantial advantages in data representation, analysis, and visualization. In games, graph-based data structures are omnipresent and represent, for example, game economies, skill trees or complex, branching quest lines. With this paper, we propose G-PCGRL, a novel and controllable method for the procedural generation of graph data using reinforcement learning. Therefore, we frame this problem as manipulating a graph's adjacency matrix to fulfill a given set of constraints. Our method adapts and extends the Procedural Content Generation via Reinforcement Learning (PCGRL) framework and introduces new representations to frame the problem of graph data generation as a Markov decision process. We compare the performance of our method with the original PCGRL, the run time with a random search and evolutionary algorithm, and evaluate G-PCGRL on two graph data domains in games: game economies and skill trees. The results show that our method is capable of generating graph-based content quickly and reliably to support and inspire designers in the game creation process. In addition, trained models are controllable in terms of the type and number of nodes to be generated.
Authors: Yi Ren, Danica J. Sutherland
Abstract: Learning dynamics, which describes how the learning of specific training examples influences the model's prediction of other examples, give us a powerful tool for understanding the behavior of deep learning systems. We study the learning dynamics of large language models during finetuning, by analyzing the step-wise decomposition and accumulated influence among different responses. Our framework allows a uniform interpretation of many interesting observations about the training of popular algorithms for both instruction tuning and preference tuning. The analysis not only explains where the benefits of these methods come from but also inspires a simple, effective method to further improve the alignment performance. Code for experiments is available at https://github.com/Joshua-Ren/Learning_dynamics_LLM.
Authors: Mark He Huang, Lin Geng Foo, Jun Liu
Abstract: Machine unlearning (MU) seeks to remove knowledge of specific data samples from trained models without the necessity for complete retraining, a task made challenging by the dual objectives of effective erasure of data and maintaining the overall performance of the model. Despite recent advances in this field, balancing between the dual objectives of unlearning remains challenging. From a fresh perspective of generalization, we introduce a novel Learning-to-Unlearn (LTU) framework, which adopts a meta-learning approach to optimize the unlearning process to improve forgetting and remembering in a unified manner. LTU includes a meta-optimization scheme that facilitates models to effectively preserve generalizable knowledge with only a small subset of the remaining set, while thoroughly forgetting the specific data samples. We also introduce a Gradient Harmonization strategy to align the optimization trajectories for remembering and forgetting via mitigating gradient conflicts, thus ensuring efficient and effective model updates. Our approach demonstrates improved efficiency and efficacy for MU, offering a promising solution to the challenges of data rights and model reusability.
Authors: Yifei Yang, Wonjun Lee, Dongmian Zou, Gilad Lerman
Abstract: Hyperbolic representations have shown remarkable efficacy in modeling inherent hierarchies and complexities within data structures. Hyperbolic neural networks have been commonly applied for learning such representations from data, but they often fall short in preserving the geometric structures of the original feature spaces. In response to this challenge, our work applies the Gromov-Wasserstein (GW) distance as a novel regularization mechanism within hyperbolic neural networks. The GW distance quantifies how well the original data structure is maintained after embedding the data in a hyperbolic space. Specifically, we explicitly treat the layers of the hyperbolic neural networks as a transport map and calculate the GW distance accordingly. We validate that the GW distance computed based on a training set well approximates the GW distance of the underlying data distribution. Our approach demonstrates consistent enhancements over current state-of-the-art methods across various tasks, including few-shot image classification, as well as semi-supervised graph link prediction and node classification.
Authors: Zeqing Wang, Fei Cheng, Kangye Ji, Bohu Huang
Abstract: Continual learning(CL) is a useful technique to acquire dynamic knowledge continually. Although powerful cloud platforms can fully exert the ability of CL,e.g., customized recommendation systems, similar personalized requirements for edge devices are almost disregarded. This phenomenon stems from the huge resource overhead involved in training neural networks and overcoming the forgetting problem of CL. This paper focuses on these scenarios and proposes a compact algorithm called LightCL. Different from other CL methods bringing huge resource consumption to acquire generalizability among all tasks for delaying forgetting, LightCL compress the resource consumption of already generalized components in neural networks and uses a few extra resources to improve memory in other parts. We first propose two new metrics of learning plasticity and memory stability to seek generalizability during CL. Based on the discovery that lower and middle layers have more generalizability and deeper layers are opposite, we $\textit{Maintain Generalizability}$ by freezing the lower and middle layers. Then, we $\textit{Memorize Feature Patterns}$ to stabilize the feature extracting patterns of previous tasks to improve generalizability in deeper layers. In the experimental comparison, LightCL outperforms other SOTA methods in delaying forgetting and reduces at most $\textbf{6.16$\times$}$ memory footprint, proving the excellent performance of LightCL in efficiency. We also evaluate the efficiency of our method on an edge device, the Jetson Nano, which further proves our method's practical effectiveness.
Authors: Leon Eshuijs, Shihan Wang, Antske Fokkens
Abstract: Fairness in classification tasks has traditionally focused on bias removal from neural representations, but recent trends favor algorithmic methods that embed fairness into the training process. These methods steer models towards fair performance, preventing potential elimination of valuable information that arises from representation manipulation. Reinforcement Learning (RL), with its capacity for learning through interaction and adjusting reward functions to encourage desired behaviors, emerges as a promising tool in this domain. In this paper, we explore the usage of RL to address bias in imbalanced classification by scaling the reward function to mitigate bias. We employ the contextual multi-armed bandit framework and adapt three popular RL algorithms to suit our objectives, demonstrating a novel approach to mitigating bias.
Authors: Isabela Albuquerque, Jessica Schrouff, David Warde-Farley, Taylan Cemgil, Sven Gowal, Olivia Wiles
Abstract: The ability to properly benchmark model performance in the face of spurious correlations is important to both build better predictors and increase confidence that models are operating as intended. We demonstrate that characterizing (as opposed to simply quantifying) model mistakes across subgroups is pivotal to properly reflect model biases, which are ignored by standard metrics such as worst-group accuracy or accuracy gap. Inspired by the hypothesis testing framework, we introduce SkewSize, a principled and flexible metric that captures bias from mistakes in a model's predictions. It can be used in multi-class settings or generalised to the open vocabulary setting of generative models. SkewSize is an aggregation of the effect size of the interaction between two categorical variables: the spurious variable representing the bias attribute and the model's prediction. We demonstrate the utility of SkewSize in multiple settings including: standard vision models trained on synthetic data, vision models trained on ImageNet, and large scale vision-and-language models from the BLIP-2 family. In each case, the proposed SkewSize is able to highlight biases not captured by other metrics, while also providing insights on the impact of recently proposed techniques, such as instruction tuning.
Authors: Lucas Joos, Daniel A. Keim, Maximilian T. Fischer
Abstract: In academic research, systematic literature reviews are foundational and highly relevant, yet tedious to create due to the high volume of publications and labor-intensive processes involved. Systematic selection of relevant papers through conventional means like keyword-based filtering techniques can sometimes be inadequate, plagued by semantic ambiguities and inconsistent terminology, which can lead to sub-optimal outcomes. To mitigate the required extensive manual filtering, we explore and evaluate the potential of using Large Language Models (LLMs) to enhance the efficiency, speed, and precision of literature review filtering, reducing the amount of manual screening required. By using models as classification agents acting on a structured database only, we prevent common problems inherent in LLMs, such as hallucinations. We evaluate the real-world performance of such a setup during the construction of a recent literature survey paper with initially more than 8.3k potentially relevant articles under consideration and compare this with human performance on the same dataset. Our findings indicate that employing advanced LLMs like GPT-4o, Claude 3.5 Sonnet, Gemini 1.5 Flash, or Llama3 with simple prompting can significantly reduce the time required for literature filtering - from usually weeks of manual research to only a few minutes. Simultaneously, we crucially show that false negatives can indeed be controlled through a consensus scheme, achieving recalls >98.8% at or even beyond the typical human error threshold, thereby also providing for more accurate and relevant articles selected. Our research not only demonstrates a substantial improvement in the methodology of literature reviews but also sets the stage for further integration and extensive future applications of responsible AI in academic research practices.
Authors: Wentao Zhao, Qitian Wu, Chenxiao Yang, Junchi Yan
Abstract: Mixup has shown considerable success in mitigating the challenges posed by limited labeled data in image classification. By synthesizing samples through the interpolation of features and labels, Mixup effectively addresses the issue of data scarcity. However, it has rarely been explored in graph learning tasks due to the irregularity and connectivity of graph data. Specifically, in node classification tasks, Mixup presents a challenge in creating connections for synthetic data. In this paper, we propose Geometric Mixup (GeoMix), a simple and interpretable Mixup approach leveraging in-place graph editing. It effectively utilizes geometry information to interpolate features and labels with those from the nearby neighborhood, generating synthetic nodes and establishing connections for them. We conduct theoretical analysis to elucidate the rationale behind employing geometry information for node Mixup, emphasizing the significance of locality enhancement-a critical aspect of our method's design. Extensive experiments demonstrate that our lightweight Geometric Mixup achieves state-of-the-art results on a wide variety of standard datasets with limited labeled data. Furthermore, it significantly improves the generalization capability of underlying GNNs across various challenging out-of-distribution generalization tasks. Our code is available at https://github.com/WtaoZhao/geomix.
Authors: Ziyan Wang, YaXuan He, Bin Liu
Abstract: Graph Neural Networks (GNNs) have achieved notable success in the analysis of non-Euclidean data across a wide range of domains. However, their applicability is constrained by the dependence on the observed graph structure. To solve this problem, Latent Graph Inference (LGI) is proposed to infer a task-specific latent structure by computing similarity or edge probability of node features and then apply a GNN to produce predictions. Even so, existing approaches neglect the noise from node features, which affects generated graph structure and performance. In this work, we introduce a novel method called Probability Passing to refine the generated graph structure by aggregating edge probabilities of neighboring nodes based on observed graph. Furthermore, we continue to utilize the LGI framework, inputting the refined graph structure and node features into GNNs to obtain predictions. We name the proposed scheme as Probability Passing-based Graph Neural Network (PPGNN). Moreover, the anchor-based technique is employed to reduce complexity and improve efficiency. Experimental results demonstrate the effectiveness of the proposed method.
Authors: Shao Gu, Yi Shen
Abstract: Recently, interesting empirical phenomena known as Neural Collapse have been observed during the final phase of training deep neural networks for classification tasks. We examine this issue when the feature dimension d is equal to the number of classes K. We demonstrate that two popular unconstrained feature models are strict saddle functions, with every critical point being either a global minimum or a strict saddle point that can be exited using negative curvatures. The primary findings conclusively confirm the conjecture on the unconstrained feature models in previous articles.
Authors: Mark Deutel, Frank Hannig, Christopher Mutschler, J\"urgen Teich
Abstract: On-device training of DNNs allows models to adapt and fine-tune to newly collected data or changing domains while deployed on microcontroller units (MCUs). However, DNN training is a resource-intensive task, making the implementation and execution of DNN training algorithms on MCUs challenging due to low processor speeds, constrained throughput, limited floating-point support, and memory constraints. In this work, we explore on-device training of DNNs for Cortex-M MCUs. We present a method that enables efficient training of DNNs completely in place on the MCU using fully quantized training (FQT) and dynamic partial gradient updates. We demonstrate the feasibility of our approach on multiple vision and time-series datasets and provide insights into the tradeoff between training accuracy, memory overhead, energy, and latency on real hardware.
Authors: Theodoros Christophides, Kyriakos Tolias, Sotirios Chatzis
Abstract: Continual learning on edge devices poses unique challenges due to stringent resource constraints. This paper introduces a novel method that leverages stochastic competition principles to promote sparsity, significantly reducing deep network memory footprint and computational demand. Specifically, we propose deep networks that comprise blocks of units that compete locally to win the representation of each arising new task; competition takes place in a stochastic manner. This type of network organization results in sparse task-specific representations from each network layer; the sparsity pattern is obtained during training and is different among tasks. Crucially, our method sparsifies both the weights and the weight gradients, thus facilitating training on edge devices. This is performed on the grounds of winning probability for each unit in a block. During inference, the network retains only the winning unit and zeroes-out all weights pertaining to non-winning units for the task at hand. Thus, our approach is specifically tailored for deployment on edge devices, providing an efficient and scalable solution for continual learning in resource-limited environments.
Authors: Rahul Sharma, Maziar Raissi, Y. B. Guo
Abstract: Compared to physics-based computational manufacturing, data-driven models such as machine learning (ML) are alternative approaches to achieve smart manufacturing. However, the data-driven ML's "black box" nature has presented a challenge to interpreting its outcomes. On the other hand, governing physical laws are not effectively utilized to develop data-efficient ML algorithms. To leverage the advantages of ML and physical laws of advanced manufacturing, this paper focuses on the development of a physics-informed machine learning (PIML) model by integrating neural networks and physical laws to improve model accuracy, transparency, and generalization with case studies in laser metal deposition (LMD).
Authors: GaoXiang Zhao, XiaoQiang Wang
Abstract: The field of long-term time series forecasting demands handling extensive look-back windows and long-range prediction steps, posing significant challenges for RNN-based methodologies. Among these, SegRNN, a robust RNN-driven model, has gained considerable attention in LTSF analysis for achieving state-of-the-art results while maintaining a remarkably streamlined architecture. Concurrently, the Mamba structure has demonstrated its advantages in small to medium-sized models due to its capability for information selection. This study introduces a variant of SegRNN that preprocesses information using a fine-tuned single-layer Mamba structure. Additionally, it incorporates implicit segmentation and residual structures into the model's encoding section to further reduce the inherent data iterative cycles of RNN architectures and implicitly integrate inter-channel correlations. This variant, named MSegRNN, utilizes the Mamba structure to select useful information, resulting in a transformed sequence. The linear-strategy-adapted derivative retains the superior memory efficiency of the original SegRNN while demonstrating enhanced performance. Empirical evaluations on real-world LTSF datasets demonstrate the superior performance of our model, thereby contributing to the advancement of LTSF methodologies.
Authors: Alessandro Montenegro, Marco Mussi, Matteo Papini, Alberto Maria Metelli
Abstract: Constrained Reinforcement Learning (CRL) tackles sequential decision-making problems where agents are required to achieve goals by maximizing the expected return while meeting domain-specific constraints, which are often formulated as expected costs. In this setting, policy-based methods are widely used since they come with several advantages when dealing with continuous-control problems. These methods search in the policy space with an action-based or parameter-based exploration strategy, depending on whether they learn directly the parameters of a stochastic policy or those of a stochastic hyperpolicy. In this paper, we propose a general framework for addressing CRL problems via gradient-based primal-dual algorithms, relying on an alternate ascent/descent scheme with dual-variable regularization. We introduce an exploration-agnostic algorithm, called C-PG, which exhibits global last-iterate convergence guarantees under (weak) gradient domination assumptions, improving and generalizing existing results. Then, we design C-PGAE and C-PGPE, the action-based and the parameter-based versions of C-PG, respectively, and we illustrate how they naturally extend to constraints defined in terms of risk measures over the costs, as it is often requested in safety-critical scenarios. Finally, we numerically validate our algorithms on constrained control problems, and compare them with state-of-the-art baselines, demonstrating their effectiveness.
Authors: Unai Fischer-Abaigar, Christoph Kern, Frauke Kreuter
Abstract: Automated decision-making (ADM) systems are being deployed across a diverse range of critical problem areas such as social welfare and healthcare. Recent work highlights the importance of causal ML models in ADM systems, but implementing them in complex social environments poses significant challenges. Research on how these challenges impact the performance in specific downstream decision-making tasks is limited. Addressing this gap, we make use of a comprehensive real-world dataset of jobseekers to illustrate how the performance of a single CATE model can vary significantly across different decision-making scenarios and highlight the differential influence of challenges such as distribution shifts on predictions and allocations.
Authors: Nasir Ahmad
Abstract: Herein the topics of (natural) gradient descent, data decorrelation, and approximate methods for backpropagation are brought into a dialogue. Natural gradient descent illuminates how gradient vectors, pointing at directions of steepest descent, can be improved by considering the local curvature of loss landscapes. We extend this perspective and show that to fully solve the problem illuminated by natural gradients in neural networks, one must recognise that correlations in the data at any linear transformation, including node responses at every layer of a neural network, cause a non-orthonormal relationship between the model's parameters. To solve this requires a solution to decorrelate inputs at each individual layer of a neural network. We describe a range of methods which have been proposed for decorrelation and whitening of node output, while providing a novel method specifically useful for distributed computing and computational neuroscience. Implementing decorrelation within multi-layer neural networks, we can show that not only is training via backpropagation sped up significantly but also existing approximations of backpropagation, which have failed catastrophically in the past, are made performant once more. This has the potential to provide a route forward for approximate gradient descent methods which have previously been discarded, training approaches for analogue and neuromorphic hardware, and potentially insights as to the efficacy and utility of decorrelation processes in the brain.
Authors: Changhun Kim, Taewon Kim, Seungyeon Woo, June Yong Yang, Eunho Yang
Abstract: In real-world applications, tabular data often suffer from distribution shifts due to their widespread and abundant nature, leading to erroneous predictions of pre-trained machine learning models. However, addressing such distribution shifts in the tabular domain has been relatively underexplored due to unique challenges such as varying attributes and dataset sizes, as well as the limited representation learning capabilities of deep learning models for tabular data. Particularly, with the recent promising paradigm of test-time adaptation (TTA), where we adapt the off-the-shelf model to the unlabeled target domain during the inference phase without accessing the source domain, we observe that directly adopting commonly used TTA methods from other domains often leads to model collapse. We systematically explore challenges in tabular data test-time adaptation, including skewed entropy, complex latent space decision boundaries, confidence calibration issues with both overconfident and under-confident, and model bias towards source label distributions along with class imbalances. Based on these insights, we introduce AdapTable, a novel tabular test-time adaptation method that directly modifies output probabilities by estimating target label distributions and adjusting initial probabilities based on calibrated uncertainty. Extensive experiments on both natural distribution shifts and synthetic corruptions demonstrate the adaptation efficacy of the proposed method.
Authors: Quang H. Nguyen, Nguyen Ngoc-Hieu, The-Anh Ta, Thanh Nguyen-Tang, Hoang Thanh-Tung, Khoa D. Doan
Abstract: Deep neural networks are vulnerable to backdoor attacks, a type of adversarial attack that poisons the training data to manipulate the behavior of models trained on such data. Clean-label attacks are a more stealthy form of backdoor attacks that can perform the attack without changing the labels of poisoned data. Early works on clean-label attacks added triggers to a random subset of the training set, ignoring the fact that samples contribute unequally to the attack's success. This results in high poisoning rates and low attack success rates. To alleviate the problem, several supervised learning-based sample selection strategies have been proposed. However, these methods assume access to the entire labeled training set and require training, which is expensive and may not always be practical. This work studies a new and more practical (but also more challenging) threat model where the attacker only provides data for the target class (e.g., in face recognition systems) and has no knowledge of the victim model or any other classes in the training set. We study different strategies for selectively poisoning a small set of training samples in the target class to boost the attack success rate in this setting. Our threat model poses a serious threat in training machine learning models with third-party datasets, since the attack can be performed effectively with limited information. Experiments on benchmark datasets illustrate the effectiveness of our strategies in improving clean-label backdoor attacks.
Authors: Curt Tigges, Michael Hanna, Qinan Yu, Stella Biderman
Abstract: Most currently deployed large language models (LLMs) undergo continuous training or additional finetuning. By contrast, most research into LLMs' internal mechanisms focuses on models at one snapshot in time (the end of pre-training), raising the question of whether their results generalize to real-world settings. Existing studies of mechanisms over time focus on encoder-only or toy models, which differ significantly from most deployed models. In this study, we track how model mechanisms, operationalized as circuits, emerge and evolve across 300 billion tokens of training in decoder-only LLMs, in models ranging from 70 million to 2.8 billion parameters. We find that task abilities and the functional components that support them emerge consistently at similar token counts across scale. Moreover, although such components may be implemented by different attention heads over time, the overarching algorithm that they implement remains. Surprisingly, both these algorithms and the types of components involved therein can replicate across model scale. These results suggest that circuit analyses conducted on small models at the end of pre-training can provide insights that still apply after additional pre-training and over model scale.
Authors: Quang H. Nguyen, Duy C. Hoang, Juliette Decugis, Saurav Manchanda, Nitesh V. Chawla, Khoa D. Doan
Abstract: The rapid progress in machine learning (ML) has brought forth many large language models (LLMs) that excel in various tasks and areas. These LLMs come with different abilities and costs in terms of computation or pricing. Since the demand for each query can vary, e.g., because of the queried domain or its complexity, defaulting to one LLM in an application is not usually the best choice, whether it is the biggest, priciest, or even the one with the best average test performance. Consequently, picking the right LLM that is both accurate and cost-effective for an application remains a challenge. In this paper, we introduce MetaLLM, a framework that dynamically and intelligently routes each query to the optimal LLM (among several available LLMs) for classification tasks, achieving significantly improved accuracy and cost-effectiveness. By framing the selection problem as a multi-armed bandit, MetaLLM balances prediction accuracy and cost efficiency under uncertainty. Our experiments, conducted on popular LLM platforms such as OpenAI's GPT models, Amazon's Titan, Anthropic's Claude, and Meta's LLaMa, showcase MetaLLM's efficacy in real-world scenarios, laying the groundwork for future extensions beyond classification tasks.
Authors: Adam Jedli\v{c}ka, Tatiana Valentine Guy
Abstract: The contribution focuses on the problem of exploration within the task of knowledge transfer. Knowledge transfer refers to the useful application of the knowledge gained while learning the source task in the target task. The intended benefit of knowledge transfer is to speed up the learning process of the target task. The article aims to compare several exploration methods used within a deep transfer learning algorithm, particularly Deep Target Transfer $Q$-learning. The methods used are $\epsilon$-greedy, Boltzmann, and upper confidence bound exploration. The aforementioned transfer learning algorithms and exploration methods were tested on the virtual drone problem. The results have shown that the upper confidence bound algorithm performs the best out of these options. Its sustainability to other applications is to be checked.
Authors: Wei Zhou, Y. F. Xu
Abstract: Physics-informed neural networks (PINNs) represent a significant advancement in scientific machine learning by integrating fundamental physical laws into their architecture through loss functions. PINNs have been successfully applied to solve various forward and inverse problems in partial differential equations (PDEs). However, a notable challenge can emerge during the early training stages when solving inverse problems. Specifically, data losses remain high while PDE residual losses are minimized rapidly, thereby exacerbating the imbalance between loss terms and impeding the overall efficiency of PINNs. To address this challenge, this study proposes a novel framework termed data-guided physics-informed neural networks (DG-PINNs). The DG-PINNs framework is structured into two distinct phases: a pre-training phase and a fine-tuning phase. In the pre-training phase, a loss function with only the data loss is minimized in a neural network. In the fine-tuning phase, a composite loss function, which consists of the data loss, PDE residual loss, and, if available, initial and boundary condition losses, is minimized in the same neural network. Notably, the pre-training phase ensures that the data loss is already at a low value before the fine-tuning phase commences. This approach enables the fine-tuning phase to converge to a minimal composite loss function with fewer iterations compared to existing PINNs. To validate the effectiveness, noise-robustness, and efficiency of DG-PINNs, extensive numerical investigations are conducted on inverse problems related to several classical PDEs, including the heat equation, wave equation, Euler--Bernoulli beam equation, and Navier--Stokes equation. The numerical results demonstrate that DG-PINNs can accurately solve these inverse problems and exhibit robustness against noise in training data.
Authors: Carlo Romeo, Andrew D. Bagdanov
Abstract: Offline Reinforcement Learning (ORL) offers a robust solution to training agents in applications where interactions with the environment must be strictly limited due to cost, safety, or lack of accurate simulation environments. Despite its potential to facilitate deployment of artificial agents in the real world, Offline Reinforcement Learning typically requires very many demonstrations annotated with ground-truth rewards. Consequently, state-of-the-art ORL algorithms can be difficult or impossible to apply in data-scarce scenarios. In this paper we propose a simple but effective Reward Model that can estimate the reward signal from a very limited sample of environment transitions annotated with rewards. Once the reward signal is modeled, we use the Reward Model to impute rewards for a large sample of reward-free transitions, thus enabling the application of ORL techniques. We demonstrate the potential of our approach on several D4RL continuous locomotion tasks. Our results show that, using only 1\% of reward-labeled transitions from the original datasets, our learned reward model is able to impute rewards for the remaining 99\% of the transitions, from which performant agents can be learned using Offline Reinforcement Learning.
Authors: Joseph Musielewicz, Janice Lan, Matt Uyttendaele, John R. Kitchin
Abstract: Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material discovery. However, one limitation of GNNs in this context is the lack of useful uncertainty prediction methods, as this is critical to the material discovery pipeline. In this work, we show that uncertainty quantification for relaxed energy calculations is more complex than uncertainty quantification for other kinds of molecular property prediction, due to the effect that structure optimizations have on the error distribution. We propose that distribution-free techniques are more useful tools for assessing calibration, recalibrating, and developing uncertainty prediction methods for GNNs performing relaxed energy calculations. We also develop a relaxed energy task for evaluating uncertainty methods for equivariant GNNs, based on distribution-free recalibration and using the Open Catalyst Project dataset. We benchmark a set of popular uncertainty prediction methods on this task, and show that latent distance methods, with our novel improvements, are the most well-calibrated and economical approach for relaxed energy calculations. Finally, we demonstrate that our latent space distance method produces results which align with our expectations on a clustering example, and on specific equation of state and adsorbate coverage examples from outside the training dataset.
Authors: Lukas Gosch, Mahalakshmi Sabanayagam, Debarghya Ghoshdastidar, Stephan G\"unnemann
Abstract: Generalization of machine learning models can be severely compromised by data poisoning, where adversarial changes are applied to the training data, as well as backdoor attacks that additionally manipulate the test data. These vulnerabilities have led to interest in certifying (i.e., proving) that such changes up to a certain magnitude do not affect test predictions. We, for the first time, certify Graph Neural Networks (GNNs) against poisoning and backdoor attacks targeting the node features of a given graph. Our certificates are white-box and based upon $(i)$ the neural tangent kernel, which characterizes the training dynamics of sufficiently wide networks; and $(ii)$ a novel reformulation of the bilevel optimization problem describing poisoning as a mixed-integer linear program. Consequently, we leverage our framework to provide fundamental insights into the role of graph structure and its connectivity on the worst-case robustness behavior of convolution-based and PageRank-based GNNs. We note that our framework is more general and constitutes the first approach to derive white-box poisoning certificates for NNs, which can be of independent interest beyond graph-related tasks.
Authors: Philipp Kai Peter, Yulin Li, Ziyue Li, Wolfgang Ketter
Abstract: Natural gas demand is a crucial factor for predicting natural gas prices and thus has a direct influence on the power system. However, existing methods face challenges in assessing the impact of shocks, such as the outbreak of the Russian-Ukrainian war. In this context, we apply deep neural network-based Granger causality to identify important drivers of natural gas demand. Furthermore, the resulting dependencies are used to construct a counterfactual case without the outbreak of the war, providing a quantifiable estimate of the overall effect of the shock on various German energy sectors. The code and dataset are available at https://github.com/bonaldli/CausalEnergy.
Authors: Junhong Lin, Xiaojie Guo, Shuaicheng Zhang, Dawei Zhou, Yada Zhu, Julian Shun
Abstract: Many real-world graphs frequently present challenges for graph learning due to the presence of both heterophily and heterogeneity. However, existing benchmarks for graph learning often focus on heterogeneous graphs with homophily or homogeneous graphs with heterophily, leaving a gap in understanding how methods perform on graphs that are both heterogeneous and heterophilic. To bridge this gap, we introduce H2GB, a novel graph benchmark that brings together the complexities of both the heterophily and heterogeneity properties of graphs. Our benchmark encompasses 9 diverse real-world datasets across 5 domains, 28 baseline model implementations, and 26 benchmark results. In addition, we present a modular graph transformer framework UnifiedGT and a new model variant, H2G-former, that excels at this challenging benchmark. By integrating masked label embeddings, cross-type heterogeneous attention, and type-specific FFNs, H2G-former effectively tackles graph heterophily and heterogeneity. Extensive experiments across 26 baselines on H2GB reveal inadequacies of current models on heterogeneous heterophilic graph learning, and demonstrate the superiority of our H2G-former over existing solutions. Both the benchmark and the framework are available on GitHub (https://github.com/junhongmit/H2GB) and PyPI (https://pypi.org/project/H2GB), and documentation can be found at https://junhongmit.github.io/H2GB/.
URLs: https://github.com/junhongmit/H2GB), https://pypi.org/project/H2GB),, https://junhongmit.github.io/H2GB/.
Authors: Han Guo, William Brandon, Radostin Cholakov, Jonathan Ragan-Kelley, Eric P. Xing, Yoon Kim
Abstract: The deployment of large language models (LLMs) is often constrained by memory bandwidth, where the primary bottleneck is the cost of transferring model parameters from the GPU's global memory to its registers. When coupled with custom kernels that fuse the dequantization and matmul operations, weight-only quantization can thus enable faster inference by reducing the amount of memory movement. However, developing high-performance kernels for weight-quantized LLMs presents substantial challenges, especially when the weights are compressed to non-evenly-divisible bit widths (e.g., 3 bits) with non-uniform, lookup table (LUT) quantization. This paper describes FLUTE, a flexible lookup table engine for LUT-quantized LLMs, which uses offline restructuring of the quantized weight matrix to minimize bit manipulations associated with unpacking, and vectorization and duplication of the lookup table to mitigate shared memory bandwidth constraints. At batch sizes < 32 and quantization group size of 128 (typical in LLM inference), the FLUTE kernel can be 2-4x faster than existing GEMM kernels. As an application of FLUTE, we explore a simple extension to lookup table-based NormalFloat quantization and apply it to quantize LLaMA3 to various configurations, obtaining competitive quantization performance against strong baselines while obtaining an end-to-end throughput increase of 1.5 to 2 times.
Authors: Haohong Lin, Wenhao Ding, Jian Chen, Laixi Shi, Jiacheng Zhu, Bo Li, Ding Zhao
Abstract: Offline model-based reinforcement learning (MBRL) enhances data efficiency by utilizing pre-collected datasets to learn models and policies, especially in scenarios where exploration is costly or infeasible. Nevertheless, its performance often suffers from the objective mismatch between model and policy learning, resulting in inferior performance despite accurate model predictions. This paper first identifies the primary source of this mismatch comes from the underlying confounders present in offline data for MBRL. Subsequently, we introduce \textbf{B}ilin\textbf{E}ar \textbf{CAUS}al r\textbf{E}presentation~(BECAUSE), an algorithm to capture causal representation for both states and actions to reduce the influence of the distribution shift, thus mitigating the objective mismatch problem. Comprehensive evaluations on 18 tasks that vary in data quality and environment context demonstrate the superior performance of BECAUSE over existing offline RL algorithms. We show the generalizability and robustness of BECAUSE under fewer samples or larger numbers of confounders. Additionally, we offer theoretical analysis of BECAUSE to prove its error bound and sample efficiency when integrating causal representation into offline MBRL.
Authors: Ondrej Bajgar, Alessandro Abate, Konstantinos Gatsis, Michael A. Osborne
Abstract: The goal of Bayesian inverse reinforcement learning (IRL) is recovering a posterior distribution over reward functions using a set of demonstrations from an expert optimizing for a reward unknown to the learner. The resulting posterior over rewards can then be used to synthesize an apprentice policy that performs well on the same or a similar task. A key challenge in Bayesian IRL is bridging the computational gap between the hypothesis space of possible rewards and the likelihood, often defined in terms of Q values: vanilla Bayesian IRL needs to solve the costly forward planning problem - going from rewards to the Q values - at every step of the algorithm, which may need to be done thousands of times. We propose to solve this by a simple change: instead of focusing on primarily sampling in the space of rewards, we can focus on primarily working in the space of Q-values, since the computation required to go from Q-values to reward is radically cheaper. Furthermore, this reversion of the computation makes it easy to compute the gradient allowing efficient sampling using Hamiltonian Monte Carlo. We propose ValueWalk - a new Markov chain Monte Carlo method based on this insight - and illustrate its advantages on several tasks.
Authors: Xin Li
Abstract: Given a memory with infinite capacity, can we solve the learning problem? Apparently, nature has solved this problem as evidenced by the evolution of mammalian brains. Inspired by the organizational principles underlying hippocampal-neocortical systems, we present a navigation-based approach to manifold learning using memory and context. The key insight is to navigate on the manifold and memorize the positions of each route as inductive/design bias of direct-fit-to-nature. We name it navigation-based because our approach can be interpreted as navigating in the latent space of sensorimotor learning via memory (local maps) and context (global indexing). The indexing to the library of local maps within global coordinates is collected by an associative memory serving as the librarian, which mimics the coupling between the hippocampus and the neocortex. In addition to breaking from the notorious bias-variance dilemma and the curse of dimensionality, we discuss the biological implementation of our navigation-based learning by episodic and semantic memories in neural systems. The energy efficiency of navigation-based learning makes it suitable for hardware implementation on non-von Neumann architectures, such as the emerging in-memory computing paradigm, including spiking neural networks and memristor neural networks.
Authors: Vismay Modi, Nicholas Sharp, Or Perel, Shinjiro Sueda, David I. W. Levin
Abstract: The proliferation of 3D representations, from explicit meshes to implicit neural fields and more, motivates the need for simulators agnostic to representation. We present a data-, mesh-, and grid-free solution for elastic simulation for any object in any geometric representation undergoing large, nonlinear deformations. We note that every standard geometric representation can be reduced to an occupancy function queried at any point in space, and we define a simulator atop this common interface. For each object, we fit a small implicit neural network encoding spatially varying weights that act as a reduced deformation basis. These weights are trained to learn physically significant motions in the object via random perturbations. Our loss ensures we find a weight-space basis that best minimizes deformation energy by stochastically evaluating elastic energies through Monte Carlo sampling of the deformation volume. At runtime, we simulate in the reduced basis and sample the deformations back to the original domain. Our experiments demonstrate the versatility, accuracy, and speed of this approach on data including signed distance functions, point clouds, neural primitives, tomography scans, radiance fields, Gaussian splats, surface meshes, and volume meshes, as well as showing a variety of material energies, contact models, and time integration schemes.
Authors: Yunbei Zhang, Akshay Mehra, Jihun Hamm
Abstract: While Vision Transformers (ViTs) have demonstrated remarkable capabilities in learning representations, their performance is compromised when applied to unseen domains. Previous methods either engage in prompt learning during the training phase or modify model parameters at test time through entropy minimization. The former often overlooks unlabeled target data, while the latter doesn't fully address domain shifts. In this work, our approach, Optimal Transport-guided Test-Time Visual Prompting (OT-VP), handles these problems by leveraging prompt learning at test time to align the target and source domains without accessing the training process or altering pre-trained model parameters. This method involves learning a universal visual prompt for the target domain by optimizing the Optimal Transport distance. With just four prompt tokens learned, OT-VP achieves a $5.0\%$ and $1.5\%$ increase in averaged accuracy across single-source and multi-source settings on three benchmark datasets, which is $1.2\times$ and $1.5\times$ the improvement of the state-of-the-art method, respectively.
Authors: Damien Ferbach, Quentin Bertrand, Avishek Joey Bose, Gauthier Gidel
Abstract: The rapid progress in generative models has resulted in impressive leaps in generation quality, blurring the lines between synthetic and real data. Web-scale datasets are now prone to the inevitable contamination by synthetic data, directly impacting the training of future generated models. Already, some theoretical results on self-consuming generative models (a.k.a., iterative retraining) have emerged in the literature, showcasing that either model collapse or stability could be possible depending on the fraction of generated data used at each retraining step. However, in practice, synthetic data is often subject to human feedback and curated by users before being used and uploaded online. For instance, many interfaces of popular text-to-image generative models, such as Stable Diffusion or Midjourney, produce several variations of an image for a given query which can eventually be curated by the users. In this paper, we theoretically study the impact of data curation on iterated retraining of generative models and show that it can be seen as an \emph{implicit preference optimization mechanism}. However, unlike standard preference optimization, the generative model does not have access to the reward function or negative samples needed for pairwise comparisons. Moreover, our study doesn't require access to the density function, only to samples. We prove that, if the data is curated according to a reward model, then the expected reward of the iterative retraining procedure is maximized. We further provide theoretical results on the stability of the retraining loop when using a positive fraction of real data at each step. Finally, we conduct illustrative experiments on both synthetic datasets and on CIFAR10 showing that such a procedure amplifies biases of the reward model.
Authors: Ashutosh, Rahul Jashvantbhai Pandya
Abstract: The expanse of information available over the internet makes it difficult to identify whether a specific work is a replica or a duplication of a protected work, especially if we talk about visual representations. Strategies are planned to identify the utilization of the copyrighted image in a report. Still, we want to resolve the issue of involving a copyrighted image in a video and a calculation that could recognize the degree of similarity of the copyrighted picture utilized in the video, even for the pieces of the video that are not featured a lot and in the end perform characterization errands on those edges. Machine learning (ML) and artificial intelligence (AI) are vital to address this problem. Numerous associations have been creating different calculations to screen the identification of copyrighted work. This work means concentrating on those calculations, recognizing designs inside the information, and fabricating a more reasonable model for copyrighted image classification and detection. We have used different algorithms like- Image Processing, Convolutional Neural Networks (CNN), Image hashing, etc. Keywords- Copyright, Artificial Intelligence(AI), Copyrighted Image, Convolutional Neural Network(CNN), Image processing, Degree of similarity, Image Hashing.
Authors: Tian-Hua Li, Tian-Fang Ma, Dan Peng, Wei-Long Zheng, Bao-Liang Lu
Abstract: With the rapid advancement in machine learning, the recognition and analysis of brain activity based on EEG and eye movement signals have attained a high level of sophistication. Utilizing deep learning models for learning EEG and eye movement features proves effective in classifying brain activities. A focused state indicates intense concentration on a task or thought. Distinguishing focused and unfocused states can be achieved through eye movement behaviors, reflecting variations in brain activities. By calculating binocular focusing point disparity in eye movement signals and integrating relevant EEG features, we propose an annotation method for focused states. The resulting comprehensive dataset, derived from raw data processed through a bio-acquisition device, includes both EEG features and focused labels annotated by eye movements. Extensive training and testing on several deep learning models, particularly the Transformer, yielded a 90.16% accuracy on the subject-dependent experiments. The validity of this approach was demonstrated, with cross-subject experiments, key frequency band and brain region analyses confirming its generalizability and providing physiological explanations.
Authors: Seunghee Han, Byeong Gwan Lee, Dae Woon Lim, Jihan Kim
Abstract: Recently, metal-organic frameworks (MOFs) have demonstrated their potential as solid-state electrolytes in proton exchange membrane fuel cells. However, the number of MOFs reported to exhibit proton conductivity remains limited, and the mechanisms underlying this phenomenon are not fully elucidated, complicating the design of proton-conductive MOFs. In response, we developed a comprehensive database of proton-conductive MOFs and applied machine learning techniques to predict their proton conductivity. Our approach included the construction of both descriptor-based and transformer-based models. Notably, the transformer-based transfer learning (Freeze) model performed the best with a mean absolute error (MAE) of 0.91, suggesting that the proton conductivity of MOFs can be estimated within one order of magnitude using this model. Additionally, we employed feature importance and principal component analysis to explore the factors influencing proton conductivity. The insights gained from our database and machine learning model are expected to facilitate the targeted design of proton-conductive MOFs.
Authors: Niamh Belton, Misgina Tsighe Hagos, Aonghus Lawlor, Kathleen M. Curran
Abstract: Knee Osteoarthritis (OA) is a debilitating disease affecting over 250 million people worldwide. Currently, radiologists grade the severity of OA on an ordinal scale from zero to four using the Kellgren-Lawrence (KL) system. Recent studies have raised concern in relation to the subjectivity of the KL grading system, highlighting the requirement for an automated system, while also indicating that five ordinal classes may not be the most appropriate approach for assessing OA severity. This work presents preliminary results of an automated system with a continuous grading scale. This system, namely SS-FewSOME, uses self-supervised pre-training to learn robust representations of the features of healthy knee X-rays. It then assesses the OA severity by the X-rays' distance to the normal representation space. SS-FewSOME initially trains on only 'few' examples of healthy knee X-rays, thus reducing the barriers to clinical implementation by eliminating the need for large training sets and costly expert annotations that existing automated systems require. The work reports promising initial results, obtaining a positive Spearman Rank Correlation Coefficient of 0.43, having had access to only 30 ground truth labels at training time.
Authors: Hanjun Dai, Bethany Yixin Wang, Xingchen Wan, Bo Dai, Sherry Yang, Azade Nova, Pengcheng Yin, Phitchaya Mangpo Phothilimthana, Charles Sutton, Dale Schuurmans
Abstract: Analytics on structured data is a mature field with many successful methods. However, most real world data exists in unstructured form, such as images and conversations. We investigate the potential of Large Language Models (LLMs) to enable unstructured data analytics. In particular, we propose a new Universal Query Engine (UQE) that directly interrogates and draws insights from unstructured data collections. This engine accepts queries in a Universal Query Language (UQL), a dialect of SQL that provides full natural language flexibility in specifying conditions and operators. The new engine leverages the ability of LLMs to conduct analysis of unstructured data, while also allowing us to exploit advances in sampling and optimization techniques to achieve efficient and accurate query execution. In addition, we borrow techniques from classical compiler theory to better orchestrate the workflow between sampling methods and foundation model calls. We demonstrate the efficiency of UQE on data analytics across different modalities, including images, dialogs and reviews, across a range of useful query types, including conditional aggregation, semantic retrieval and abstraction aggregation.
Authors: Xixian Yong, Xiao Zhou
Abstract: Predicting socioeconomic indicators within urban regions is crucial for fostering inclusivity, resilience, and sustainability in cities and human settlements. While pioneering studies have attempted to leverage multi-modal data for socioeconomic prediction, jointly exploring their underlying semantics remains a significant challenge. To address the gap, this paper introduces a Multi-Semantic Contrastive Learning (MuseCL) framework for fine-grained urban region profiling and socioeconomic prediction. Within this framework, we initiate the process by constructing contrastive sample pairs for street view and remote sensing images, capitalizing on the similarities in human mobility and Point of Interest (POI) distribution to derive semantic features from the visual modality. Additionally, we extract semantic insights from POI texts embedded within these regions, employing a pre-trained text encoder. To merge the acquired visual and textual features, we devise an innovative cross-modality-based attentional fusion module, which leverages a contrastive mechanism for integration. Experimental results across multiple cities and indicators consistently highlight the superiority of MuseCL, demonstrating an average improvement of 10% in $R^2$ compared to various competitive baseline models. The code of this work is publicly available at https://github.com/XixianYong/MuseCL.
Authors: You-Wei Luo, Chuan-Xian Ren, Xiao-Lin Xu, Qingshan Liu
Abstract: To overcome the restriction of identical distribution assumption, invariant representation learning for unsupervised domain adaptation (UDA) has made significant advances in computer vision and pattern recognition communities. In UDA scenario, the training and test data belong to different domains while the task model is learned to be invariant. Recently, empirical connections between transferability and discriminability have received increasing attention, which is the key to understanding the invariant representations. However, theoretical study of these abilities and in-depth analysis of the learned feature structures are unexplored yet. In this work, we systematically analyze the essentials of transferability and discriminability from the geometric perspective. Our theoretical results provide insights into understanding the co-regularization relation and prove the possibility of learning these abilities. From methodology aspect, the abilities are formulated as geometric properties between domain/cluster subspaces (i.e., orthogonality and equivalence) and characterized as the relation between the norms/ranks of multiple matrices. Two optimization-friendly learning principles are derived, which also ensure some intuitive explanations. Moreover, a feasible range for the co-regularization parameters is deduced to balance the learning of geometric structures. Based on the theoretical results, a geometry-oriented model is proposed for enhancing the transferability and discriminability via nuclear norm optimization. Extensive experiment results validate the effectiveness of the proposed model in empirical applications, and verify that the geometric abilities can be sufficiently learned in the derived feasible range.
Authors: Doga Dikbayir, Abdel Alsnayyan, Vishnu Naresh Boddeti, Balasubramaniam Shanker, Hasan Metin Aktulga
Abstract: The inverse scattering problem is of critical importance in a number of fields, including medical imaging, sonar, sensing, non-destructive evaluation, and several others. The problem of interest can vary from detecting the shape to the constitutive properties of the obstacle. The challenge in both is that this problem is ill-posed, more so when there is limited information. That said, significant effort has been expended over the years in developing solutions to this problem. Here, we use a different approach, one that is founded on data. Specifically, we develop a deep learning framework for shape reconstruction using limited information with single incident wave, single frequency, and phase-less far-field data. This is done by (a) using a compact probabilistic shape latent space, learned by a 3D variational auto-encoder, and (b) a convolutional neural network trained to map the acoustic scattering information to this shape representation. The proposed framework is evaluated on a synthetic 3D particle dataset, as well as ShapeNet, a popular 3D shape recognition dataset. As demonstrated via a number of results, the proposed method is able to produce accurate reconstructions for large batches of complex scatterer shapes (such as airplanes and automobiles), despite the significant variation present within the data.
Authors: Jacob Nielsen, Peter Schneider-Kamp
Abstract: Recently proposed methods for 1-bit and 1.58-bit quantization aware training investigate the performance and behavior of these methods in the context of large language models, finding state-of-the-art performance for models with more than 3B parameters. In this work, we investigate 1.58-bit quantization for small language and vision models ranging from 100K to 48M parameters. We introduce a variant of BitNet b1.58, which allows to rely on the median rather than the mean in the quantization process. Through extensive experiments we investigate the performance of 1.58-bit models obtained through quantization aware training. We further investigate the robustness of 1.58-bit quantization-aware training to changes in the learning rate and regularization through weight decay, finding different patterns for small language and vision models than previously reported for large language models. Our results showcase that 1.58-bit quantization-aware training provides state-of-the-art performance for small language models when doubling hidden layer sizes and reaches or even surpasses state-of-the-art performance for small vision models of identical size. Ultimately, we demonstrate that 1.58-bit quantization-aware training is a viable and promising approach also for training smaller deep learning networks, facilitating deployment of such models in low-resource use-cases and encouraging future research.
Authors: Patrick Takenaka, Johannes Maucher, Marco F. Huber
Abstract: We propose a novel architecture design for video prediction in order to utilize procedural domain knowledge directly as part of the computational graph of data-driven models. On the basis of new challenging scenarios we show that state-of-the-art video predictors struggle in complex dynamical settings, and highlight that the introduction of prior process knowledge makes their learning problem feasible. Our approach results in the learning of a symbolically addressable interface between data-driven aspects in the model and our dedicated procedural knowledge module, which we utilize in downstream control tasks.
Authors: Patrick Takenaka, Manuel Eberhardinger, Daniel Grie{\ss}haber, Johannes Maucher
Abstract: Knowing the printer model used to print a given document may provide a crucial lead towards identifying counterfeits or conversely verifying the validity of a real document. Inkjet printers produce probabilistic droplet patterns that appear to be distinct for each printer model and as such we investigate the utilization of droplet characteristics including frequency domain features extracted from printed document scans for the classification of the underlying printer model. We collect and publish a dataset of high resolution document scans and show that our extracted features are informative enough to enable a neural network to distinguish not only the printer manufacturer, but also individual printer models.
Authors: Ling Zhang, Boxiang Yun, Xingran Xie, Qingli Li, Xinxing Li, Yan Wang
Abstract: Prediction of genetic biomarkers, e.g., microsatellite instability and BRAF in colorectal cancer is crucial for clinical decision making. In this paper, we propose a whole slide image (WSI) based genetic biomarker prediction method via prompting techniques. Our work aims at addressing the following challenges: (1) extracting foreground instances related to genetic biomarkers from gigapixel WSIs, and (2) the interaction among the fine-grained pathological components in WSIs.Specifically, we leverage large language models to generate medical prompts that serve as prior knowledge in extracting instances associated with genetic biomarkers. We adopt a coarse-to-fine approach to mine biomarker information within the tumor microenvironment. This involves extracting instances related to genetic biomarkers using coarse medical prior knowledge, grouping pathology instances into fine-grained pathological components and mining their interactions. Experimental results on two colorectal cancer datasets show the superiority of our method, achieving 91.49% in AUC for MSI classification. The analysis further shows the clinical interpretability of our method. Code is publicly available at https://github.com/DeepMed-Lab-ECNU/PromptBio.
Authors: Tempei Kabayama, Yasuo Kuniyoshi, Kazuyuki Aihara, Kohei Nakajima
Abstract: Chaotic dynamics are ubiquitous in nature and useful in engineering, but their geometric design can be challenging. Here, we propose a method using reservoir computing to generate chaos with a desired shape by providing a periodic orbit as a template, called a skeleton. We exploit a bifurcation of the reservoir to intentionally induce unsuccessful training of the skeleton, revealing inherent chaos. The emergence of this untrained attractor, resulting from the interaction between the skeleton and the reservoir's intrinsic dynamics, offers a novel semi-supervised framework for designing chaos.
Authors: Jia-Hau Bai, Chi-Ting Liu, Yu Wang, Fu-Chieh Chang, Pei-Yuan Wu
Abstract: This study uses CAPM (Convex Adversarial Polytope for Maxpool-based CNN) to improve the verified bound for general purpose maxpool-based convolutional neural networks (CNNs) under bounded norm adversarial perturbations. The maxpool function is decomposed as a series of ReLU functions to extend the convex relaxation technique to maxpool functions, by which the verified bound can be efficiently computed through a dual network. The experimental results demonstrate that this technique allows the state-of-the-art verification precision for maxpool-based CNNs and involves a much lower computational cost than current verification methods, such as DeepZ, DeepPoly and PRIMA. This method is also applicable to large-scale CNNs, which previous studies show to be often computationally prohibitively expensive. Under certain circumstances, CAPM is 40-times, 20-times or twice as fast and give a significantly higher verification bound (CAPM 98% vs. PRIMA 76%/DeepPoly 73%/DeepZ 8%) as compared to PRIMA/DeepPoly/DeepZ. Furthermore, we additionally present the time complexity of our algorithm as $O(W^2NK)$, where $W$ is the maximum width of the neural network, $N$ is the number of neurons, and $K$ is the size of the maxpool layer's kernel.
Authors: Xin Chen, Virgile Foussereau
Abstract: This study addresses gender bias in image generation models using Reinforcement Learning from Artificial Intelligence Feedback (RLAIF) with a novel Denoising Diffusion Policy Optimization (DDPO) pipeline. By employing a pretrained stable diffusion model and a highly accurate gender classification Transformer, the research introduces two reward functions: Rshift for shifting gender imbalances, and Rbalance for achieving and maintaining gender balance. Experiments demonstrate the effectiveness of this approach in mitigating bias without compromising image quality or requiring additional data or prompt modifications. While focusing on gender bias, this work establishes a foundation for addressing various forms of bias in AI systems, emphasizing the need for responsible AI development. Future research directions include extending the methodology to other bias types, enhancing the RLAIF pipeline's robustness, and exploring multi-prompt fine-tuning to further advance fairness and inclusivity in AI.
Authors: Alireza Mohammadshafie, Akram Mirzaeinia, Haseebullah Jumakhan, Amir Mirzaeinia
Abstract: Recent deep reinforcement learning (DRL) methods in finance show promising outcomes. However, there is limited research examining the behavior of these DRL algorithms. This paper aims to investigate their tendencies towards holding or trading financial assets as well as purchase diversity. By analyzing their trading behaviors, we provide insights into the decision-making processes of DRL models in finance applications. Our findings reveal that each DRL algorithm exhibits unique trading patterns and strategies, with A2C emerging as the top performer in terms of cumulative rewards. While PPO and SAC engage in significant trades with a limited number of stocks, DDPG and TD3 adopt a more balanced approach. Furthermore, SAC and PPO tend to hold positions for shorter durations, whereas DDPG, A2C, and TD3 display a propensity to remain stationary for extended periods.
Authors: Mfon Akpan
Abstract: Recent advancements in AI, particularly in large language models (LLMs) like ChatGPT, Claude, and Gemini, have prompted questions about their proximity to Artificial General Intelligence (AGI). This study compares LLM performance on educational benchmarks with Americans' average educational attainment and literacy levels, using data from the U.S. Census Bureau and technical reports. Results show that LLMs significantly outperform human benchmarks in tasks such as undergraduate knowledge and advanced reading comprehension, indicating substantial progress toward AGI. However, true AGI requires broader cognitive assessments. The study highlights the implications for AI development, education, and societal impact, emphasizing the need for ongoing research and ethical considerations.
Authors: Eunwoo Kim, Un Yang, Cheol Lae Roh, Stefano Ermon
Abstract: Conventional anomaly detection techniques based on reconstruction via denoising diffusion model are widely used due to their ability to identify anomaly locations and shapes with high performance. However, there is a limitation in determining appropriate noise parameters that can degrade anomalies while preserving normal characteristics. Also, due to the volatility of the diffusion model, normal regions can fluctuate considerably during reconstruction, resulting in false detection. In this paper, we propose a method to detect anomalies by analysis of reconstruction trend depending on the degree of degradation, effectively solving the both problems of existing methods. The proposed method is validated on an open dataset for industrial anomaly detection, improving the performance of existing methods on a number of evaluation criteria. With the ease of combination with existing anomaly detection methods, it provides a tradeoff between computational cost and performance, allowing it high application potential in manufacturing industry.
Authors: Zeliang Zhang, Xiaodong Liu, Hao Cheng, Chenliang Xu, Jianfeng Gao
Abstract: By increasing model parameters but activating them sparsely when performing a task, the use of Mixture-of-Experts (MoE) architecture significantly improves the performance of Large Language Models (LLMs) without increasing the inference cost. However, the memory consumption due to the growing number of experts presents a challenge to the deployment of these models in many real world settings. Our empirical study reveals that some experts encode redundant knowledge during pre-training. We thus propose a method of grouping and pruning similar experts to improve model's parameter efficiency. We validate the effectiveness of our method by pruning two state-of-the-art MoE models, Mixtral-8x7B and Mixtral-8x22B. Evaluation shows that our method outperforms other model pruning methods on a range of natural language tasks. To facilitate future research, we will release our code and the pruned MoE models.
Authors: Maximilian Dax, Stephen R. Green, Jonathan Gair, Nihar Gupte, Michael P\"urrer, Vivien Raymond, Jonas Wildberger, Jakob H. Macke, Alessandra Buonanno, Bernhard Sch\"olkopf
Abstract: Mergers of binary neutron stars (BNSs) emit signals in both the gravitational-wave (GW) and electromagnetic (EM) spectra. Famously, the 2017 multi-messenger observation of GW170817 led to scientific discoveries across cosmology, nuclear physics, and gravity. Central to these results were the sky localization and distance obtained from GW data, which, in the case of GW170817, helped to identify the associated EM transient, AT 2017gfo, 11 hours after the GW signal. Fast analysis of GW data is critical for directing time-sensitive EM observations; however, due to challenges arising from the length and complexity of signals, it is often necessary to make approximations that sacrifice accuracy. Here, we develop a machine learning approach that performs complete BNS inference in just one second without making any such approximations. This is enabled by a new method for explicit integration of physical domain knowledge into neural networks. Our approach enhances multi-messenger observations by providing (i) accurate localization even before the merger; (ii) improved localization precision by $\sim30\%$ compared to approximate low-latency methods; and (iii) detailed information on luminosity distance, inclination, and masses, which can be used to prioritize expensive telescope time. Additionally, the flexibility and reduced cost of our method open new opportunities for equation-of-state and waveform systematics studies. Finally, we demonstrate that our method scales to extremely long signals, up to an hour in length, thus serving as a blueprint for data analysis for next-generation ground- and space-based detectors.
Authors: Karan Shah, Attila Cangi
Abstract: Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT based electron dynamics simulations using autoregressive neural operators as time-propagators for the electron density. By leveraging physics-informed constraints and high-resolution training data, our model achieves superior accuracy and computational speed compared to traditional numerical solvers. We demonstrate the effectiveness of our model on a class of one-dimensional diatomic molecules. This method has potential in enabling real-time, on-the-fly modeling of laser-irradiated molecules and materials with varying experimental parameters.
Authors: Juraj Bodik, Olivier Pasche
Abstract: We introduce a rigorous mathematical framework for Granger causality in extremes, designed to identify causal links from extreme events in time series. Granger causality plays a pivotal role in uncovering directional relationships among time-varying variables. While this notion gains heightened importance during extreme and highly volatile periods, state-of-the-art methods primarily focus on causality within the body of the distribution, often overlooking causal mechanisms that manifest only during extreme events. Our framework is designed to infer causality mainly from extreme events by leveraging the causal tail coefficient. We establish equivalences between causality in extremes and other causal concepts, including (classical) Granger causality, Sims causality, and structural causality. We prove other key properties of Granger causality in extremes and show that the framework is especially helpful under the presence of hidden confounders. We also propose a novel inference method for detecting the presence of Granger causality in extremes from data. Our method is model-free, can handle non-linear and high-dimensional time series, outperforms current state-of-the-art methods in all considered setups, both in performance and speed, and was found to uncover coherent effects when applied to financial and extreme weather observations.
Authors: Milan Ganai, Sicun Gao, Sylvia Herbert
Abstract: Recent literature has proposed approaches that learn control policies with high performance while maintaining safety guarantees. Synthesizing Hamilton-Jacobi (HJ) reachable sets has become an effective tool for verifying safety and supervising the training of reinforcement learning-based control policies for complex, high-dimensional systems. Previously, HJ reachability was limited to verifying low-dimensional dynamical systems -- this is because the computational complexity of the dynamic programming approach it relied on grows exponentially with the number of system states. To address this limitation, in recent years, there have been methods that compute the reachability value function simultaneously with learning control policies to scale HJ reachability analysis while still maintaining a reliable estimate of the true reachable set. These HJ reachability approximations are used to improve the safety, and even reward performance, of learned control policies and can solve challenging tasks such as those with dynamic obstacles and/or with lidar-based or vision-based observations. In this survey paper, we review the recent developments in the field of HJ reachability estimation in reinforcement learning that would provide a foundational basis for further research into reliability in high-dimensional systems.
Authors: Yiming Wang, Siyu Tang, Mengyu Chu
Abstract: We delve into the physics-informed neural reconstruction of smoke and obstacles through sparse-view RGB videos, tackling challenges arising from limited observation of complex dynamics. Existing physics-informed neural networks often emphasize short-term physics constraints, leaving the proper preservation of long-term conservation less explored. We introduce Neural Characteristic Trajectory Fields, a novel representation utilizing Eulerian neural fields to implicitly model Lagrangian fluid trajectories. This topology-free, auto-differentiable representation facilitates efficient flow map calculations between arbitrary frames as well as efficient velocity extraction via auto-differentiation. Consequently, it enables end-to-end supervision covering long-term conservation and short-term physics priors. Building on the representation, we propose physics-informed trajectory learning and integration into NeRF-based scene reconstruction. We enable advanced obstacle handling through self-supervised scene decomposition and seamless integrated boundary constraints. Our results showcase the ability to overcome challenges like occlusion uncertainty, density-color ambiguity, and static-dynamic entanglements. Code and sample tests are at \url{https://github.com/19reborn/PICT_smoke}.
Authors: Ismail Hossain, Md Jahangir Alam, Sai Puppala, Sajedul Talukder
Abstract: Social media platforms are extensively used for sharing personal emotions, daily activities, and various life events, keeping people updated with the latest happenings. From the moment a user creates an account, they continually expand their network of friends or followers, freely interacting with others by posting, commenting, and sharing content. Over time, user behavior evolves based on demographic attributes and the networks they establish. In this research, we propose a predictive method to understand how a user evolves on social media throughout their life and to forecast the next stage of their evolution. We fine-tune a GPT-like decoder-only model (we named it E-GPT: Evolution-GPT) to predict the future stages of a user's evolution in online social media. We evaluate the performance of these models and demonstrate how user attributes influence changes within their network by predicting future connections and shifts in user activities on social media, which also addresses other social media challenges such as recommendation systems.
Authors: Santiago Fern\'andez, Emilio Mart\'inez, Gabriel Varela, Pablo Mus\'e, Federico Larroca
Abstract: In this work, we address the problem of eavesdropping on digital video displays by analyzing the electromagnetic waves that unintentionally emanate from the cables and connectors, particularly HDMI. This problem is known as TEMPEST. Compared to the analog case (VGA), the digital case is harder due to a 10-bit encoding that results in a much larger bandwidth and non-linear mapping between the observed signal and the pixel's intensity. As a result, eavesdropping systems designed for the analog case obtain unclear and difficult-to-read images when applied to digital video. The proposed solution is to recast the problem as an inverse problem and train a deep learning module to map the observed electromagnetic signal back to the displayed image. However, this approach still requires a detailed mathematical analysis of the signal, firstly to determine the frequency at which to tune but also to produce training samples without actually needing a real TEMPEST setup. This saves time and avoids the need to obtain these samples, especially if several configurations are being considered. Our focus is on improving the average Character Error Rate in text, and our system improves this rate by over 60 percentage points compared to previous available implementations. The proposed system is based on widely available Software Defined Radio and is fully open-source, seamlessly integrated into the popular GNU Radio framework. We also share the dataset we generated for training, which comprises both simulated and over 1000 real captures. Finally, we discuss some countermeasures to minimize the potential risk of being eavesdropped by systems designed based on similar principles.
Authors: Zongyue Qin, Ziniu Hu, Zifan He, Neha Prakriya, Jason Cong, Yizhou Sun
Abstract: Transformer-based Large language models (LLMs) have demonstrated their power in various tasks, but their inference incurs significant time and energy costs. To accelerate LLM inference, speculative decoding uses a smaller model to propose one sequence of tokens, which are subsequently validated in batch by the target large model. Compared with autoregressive decoding, speculative decoding generates the same number of tokens with fewer runs of the large model, hence accelerating the overall inference by $1$-$2\times$. However, greedy decoding is not the optimal decoding algorithm in terms of output perplexity, which is a direct measurement of the effectiveness of a decoding algorithm. An algorithm that has better output perplexity and even better efficiency than speculative decoding can be more useful in practice. To achieve this seemingly contradictory goal, we first introduce multi-token joint greedy decoding (MJGD), which greedily generates multiple tokens at each step based on their joint perplexity. We show that it leads to better perplexity for the whole output. But the computation cost of MJGD is infeasible in practice. So we further propose multi-token joint speculative decoding (MJSD), which approximates and accelerates the MJGD from two aspects: it approximates the joint distribution of the large model with that of a small model, and uses a verification step to guarantee the accuracy of approximation; then it uses beam decoding to accelerate the sequence generation from the joint distribution. Compared with vanilla speculative decoding, MJSD has two advantages: (1) it is an approximation of MJGD, thus achieving better output perplexity; (2) verification with joint likelihood allows it to accept the longest prefix sub-sequence of the draft tokens with valid perplexity, leading to better efficiency...
Authors: Nihal Jain, Robert Kwiatkowski, Baishakhi Ray, Murali Krishna Ramanathan, Varun Kumar
Abstract: In this study, we address the issue of API hallucinations in various software engineering contexts. We introduce CloudAPIBench, a new benchmark designed to measure API hallucination occurrences. CloudAPIBench also provides annotations for frequencies of API occurrences in the public domain, allowing us to study API hallucinations at various frequency levels. Our findings reveal that Code LLMs struggle with low frequency APIs: for e.g., GPT-4o achieves only 38.58% valid low frequency API invocations. We demonstrate that Documentation Augmented Generation (DAG) significantly improves performance for low frequency APIs (increase to 47.94% with DAG) but negatively impacts high frequency APIs when using sub-optimal retrievers (a 39.02% absolute drop). To mitigate this, we propose to intelligently trigger DAG where we check against an API index or leverage Code LLMs' confidence scores to retrieve only when needed. We demonstrate that our proposed methods enhance the balance between low and high frequency API performance, resulting in more reliable API invocations (8.20% absolute improvement on CloudAPIBench for GPT-4o).
Authors: Daniel Badawi, Eduardo Gildin
Abstract: Simulating Darcy flows in porous media is fundamental to understand the future flow behavior of fluids in hydrocarbon and carbon storage reservoirs. Geological models of reservoirs are often associated with high uncertainly leading to many numerical simulations for history matching and production optimization. Machine learning models trained with simulation data can provide a faster alternative to traditional simulators. In this paper we present a single Fourier Neural Operator (FNO) surrogate that outperforms traditional reservoir simulators by the ability to predict pressures and saturations on varying permeability fields, well locations, well controls, and number of wells. The maximum-mean relative error of 95\% of pressure and saturation predictions is less than 5\%. This is achieved by employing a simple yet very effective data augmentation technique that reduces the dataset size by 75\% and reduces overfitting. Also, constructing the input tensor in a binary fashion enables predictions on unseen well locations, well controls, and number of wells. Such model can accelerate history matching and reservoir characterization procedures by several orders of magnitude. The ability to predict on new well locations, well controls, and number of wells enables highly efficient reservoir management and optimization.
Authors: Xilin Jiang, Yinghao Aaron Li, Adrian Nicolas Florea, Cong Han, Nima Mesgarani
Abstract: It is too early to conclude that Mamba is a better alternative to transformers for speech before comparing Mamba with transformers in terms of both performance and efficiency in multiple speech-related tasks. To reach this conclusion, we propose and evaluate three models for three tasks: Mamba-TasNet for speech separation, ConMamba for speech recognition, and VALL-M for speech synthesis. We compare them with transformers of similar sizes in performance, memory, and speed. Our Mamba or Mamba-transformer hybrid models show comparable or higher performance than their transformer counterparts: Sepformer, Conformer, and VALL-E. They are more efficient than transformers in memory and speed for speech longer than a threshold duration, inversely related to the resolution of a speech token. Mamba for separation is the most efficient, and Mamba for recognition is the least. Further, we show that Mamba is not more efficient than transformer for speech shorter than the threshold duration and performs worse in models that require joint modeling of text and speech, such as cross or masked attention of two inputs. Therefore, we argue that the superiority of Mamba or transformer depends on particular problems and models. Code available at https://github.com/xi-j/Mamba-TasNet and https://github.com/xi-j/Mamba-ASR.
URLs: https://github.com/xi-j/Mamba-TasNet, https://github.com/xi-j/Mamba-ASR.
Authors: Ismail Hossain, Sai Puppala, Md Jahangir Alam, Sajedul Talukder
Abstract: User activities can influence their subsequent interactions with a post, generating interest in the user. Typically, users interact with posts from friends by commenting and using reaction emojis, reflecting their level of interest on social media such as Facebook, Twitter, and Reddit. Our objective is to analyze user history over time, including their posts and engagement on various topics. Additionally, we take into account the user's profile, seeking connections between their activities and social media platforms. By integrating user history, engagement, and persona, we aim to assess recommendation scores based on relevant item sharing by Hit Rate (HR) and the quality of the ranking system by Normalized Discounted Cumulative Gain (NDCG), where we achieve the highest for NeuMF 0.80 and 0.6 respectively. Our hybrid approach solves the cold-start problem when there is a new user, for new items cold-start problem will never occur, as we consider the post category values. To improve the performance of the model during cold-start we introduce collaborative filtering by looking for similar users and ranking the users based on the highest similarity scores.
Authors: Zhongyuan Zhao, Bojan Radoji\v{c}i\'c, Gunjan Verma, Ananthram Swami, Santiago Segarra
Abstract: To reduce the latency of Backpressure (BP) routing in wireless multi-hop networks, we propose to enhance the existing shortest path-biased BP (SP-BP) and sojourn time-based backlog metrics, since they introduce no additional time step-wise signaling overhead to the basic BP. Rather than relying on hop-distance, we introduce a new edge-weighted shortest path bias built on the scheduling duty cycle of wireless links, which can be predicted by a graph convolutional neural network based on the topology and traffic of wireless networks. Additionally, we tackle three long-standing challenges associated with SP-BP: optimal bias scaling, efficient bias maintenance, and integration of delay awareness. Our proposed solutions inherit the throughput optimality of the basic BP, as well as its practical advantages of low complexity and fully distributed implementation. Our approaches rely on common link features and introduces only a one-time constant overhead to previous SP-BP schemes, or a one-time overhead linear in the network size to the basic BP. Numerical experiments show that our solutions can effectively address the major drawbacks of slow startup, random walk, and the last packet problem in basic BP, improving the end-to-end delay of existing low-overhead BP algorithms under various settings of network traffic, interference, and mobility.
Authors: Takamasa Okudono, Masaki Waga, Taro Sekiyama, Ichiro Hasuo
Abstract: Active learning of finite automata has been vigorously pursued for the purposes of analysis and explanation of black-box systems. In this paper, we study an L*-style learning algorithm for weighted automata over the max-plus semiring. The max-plus setting exposes a "consistency" issue in the previously studied semiring-generic extension of L*: we show that it can fail to maintain consistency of tables, and can thus make equivalence queries on obviously wrong hypothesis automata. We present a theoretical fix by a mathematically clean notion of column-closedness. We also present a nontrivial and reasonably broad class of weighted languages over the max-plus semiring in which our algorithm terminates.
Authors: Pedro R. A. S. Bassi, Andrea Cavalli, Sergio Decherchi
Abstract: Bias and spurious correlations in data can cause shortcut learning, undermining out-of-distribution (OOD) generalization in deep neural networks. Most methods require unbiased data during training (and/or hyper-parameter tuning) to counteract shortcut learning. Here, we propose the use of explanation distillation to hinder shortcut learning. The technique does not assume any access to unbiased data, and it allows an arbitrarily sized student network to learn the reasons behind the decisions of an unbiased teacher, such as a vision-language model or a network processing debiased images. We found that it is possible to train a neural network with explanation (e.g by Layer Relevance Propagation, LRP) distillation only, and that the technique leads to high resistance to shortcut learning, surpassing group-invariant learning, explanation background minimization, and alternative distillation techniques. In the COLOURED MNIST dataset, LRP distillation achieved 98.2% OOD accuracy, while deep feature distillation and IRM achieved 92.1% and 60.2%, respectively. In COCO-on-Places, the undesirable generalization gap between in-distribution and OOD accuracy is only of 4.4% for LRP distillation, while the other two techniques present gaps of 15.1% and 52.1%, respectively.
Authors: Amanda Olmin, Fredrik Lindsten
Abstract: Epoch-wise double descent is the phenomenon where generalisation performance improves beyond the point of overfitting, resulting in a generalisation curve exhibiting two descents under the course of learning. Understanding the mechanisms driving this behaviour is crucial not only for understanding the generalisation behaviour of machine learning models in general, but also for employing conventional selection methods, such as the use of early stopping to mitigate overfitting. While we ultimately want to draw conclusions of more complex models, such as deep neural networks, a majority of theoretical conclusions regarding the underlying cause of epoch-wise double descent are based on simple models, such as standard linear regression. To start bridging this gap, we study epoch-wise double descent in two-layer linear neural networks. First, we derive a gradient flow for the linear two-layer model, that bridges the learning dynamics of the standard linear regression model, and the linear two-layer diagonal network with quadratic weights. Second, we identify additional factors of epoch-wise double descent emerging with the extra model layer, by deriving necessary conditions for the generalisation error to follow a double descent pattern. While epoch-wise double descent in linear regression has been attributed to differences in input variance, in the two-layer model, also the singular values of the input-output covariance matrix play an important role. This opens up for further questions regarding unidentified factors of epoch-wise double descent for truly deep models.
Authors: Dmitrii Galimzianov, Viacheslav Vyshegorodtsev
Abstract: Average hold time is a concern for call centers because it affects customer satisfaction. Contact centers should instruct their agents to use special on-hold scripts to maintain positive interactions with clients. This study presents a natural language processing model that detects on-hold phrases in customer service calls transcribed by automatic speech recognition technology. The task of finding hold scripts in dialogue was formulated as a multiclass text classification problem with three mutually exclusive classes: scripts for putting a client on hold, scripts for returning to a client, and phrases irrelevant to on-hold scripts. We collected an in-house dataset of calls and labeled each dialogue turn in each call. We fine-tuned RuBERT on the dataset by exploring various hyperparameter sets and achieved high model performance. The developed model can help agent monitoring by providing a way to check whether an agent follows predefined on-hold scripts.
Authors: Ahmed F. Fouad, Akram Youssry, Ahmed El-Rafei, Sherif Hammad
Abstract: Quantum devices need precise control to achieve their full capability. In this work, we address the problem of controlling closed quantum systems, tackling two main issues. First, in practice the control signals are usually subject to unknown classical distortions that could arise from the device fabrication, material properties and/or instruments generating those signals. Second, in most cases modeling the system is very difficult or not even viable due to uncertainties in the relations between some variables and inaccessibility to some measurements inside the system. In this paper, we introduce a general model-free control approach based on deep reinforcement learning (DRL), that can work for any closed quantum system. We train a deep neural network (NN), using the REINFORCE policy gradient algorithm to control the state probability distribution of a closed quantum system as it evolves, and drive it to different target distributions. We present a novel controller architecture that comprises multiple NNs. This enables accommodating as many different target state distributions as desired, without increasing the complexity of the NN or its training process. The used DRL algorithm works whether the control problem can be modeled as a Markov decision process (MDP) or a partially observed MDP. Our method is valid whether the control signals are discrete- or continuous-valued. We verified our method through numerical simulations based on a photonic waveguide array chip. We trained a controller to generate sequences of different target output distributions of the chip with fidelity higher than 99%, where the controller showed superior performance in canceling the classical signal distortions.
Authors: Kushan Choksi, Hongkai Chen, Karan Joshi, Sukrutha Jade, Shahriar Nirjon, Shan Lin
Abstract: Recent research has demonstrated the capability of physiological signals to infer both user emotional and attention responses. This presents an opportunity for leveraging widely available physiological sensors in smartwatches, to detect real-time emotional cues in users, such as stress and excitement. In this paper, we introduce SensEmo, a smartwatch-based system designed for affective learning. SensEmo utilizes multiple physiological sensor data, including heart rate and galvanic skin response, to recognize a student's motivation and concentration levels during class. This recognition is facilitated by a personalized emotion recognition model that predicts emotional states based on degrees of valence and arousal. With real-time emotion and attention feedback from students, we design a Markov decision process-based algorithm to enhance student learning effectiveness and experience by by offering suggestions to the teacher regarding teaching content and pacing. We evaluate SensEmo with 22 participants in real-world classroom environments. Evaluation results show that SensEmo recognizes student emotion with an average of 88.9% accuracy. More importantly, SensEmo assists students to achieve better online learning outcomes, e.g., an average of 40.0% higher grades in quizzes, over the traditional learning without student emotional feedback.
Authors: Devaansh Gupta, Boyang Li
Abstract: Recent works in AI planning have proposed to combine LLMs with iterative tree-search algorithms like A* and MCTS, where LLMs are typically used to calculate the heuristic, guiding the planner towards the goal. However, combining these techniques is not trivial : LM-based heuristics are quite weak, incurring a high computational cost without a significant performance improvement. Existing methods to learn these heuristics do not consider the requirements of the planner, and typically need a lot of compute. Thus, in this work, we propose a distribution to downsample training data by identifying relevant data points to learn a performant heuristic, while constraining computational costs. To arrive at this model, we disentangle the requirements of the planner, in our case A* search, from that of the language model to generalise on this task. Surprisingly, we find an overlap between their requirements; A* requires more accurate predictions on nodes near the goal, and LMs need the same set of nodes for effective generalisation. With these insights, we can quantify the contribution of each node towards accelerating A* search, and subsequently derive a training distribution for learning LM-based heuristics. Following a recent work, we conduct our experiments on two classical planning domains, maze navigation and sokoban, with two test splits per domain, and two conventional loss functions. We reduce the number of iterations required to find the solutions by upto 13x, with a wall-clock speed-up of upto 5x.
Authors: Pegah Ojaghi, Romina Mir, Ali Marjaninejad, Andrew Erwin, Michael Wehner, Francisco J Valero-Cueva
Abstract: Learning to lift and rotate objects with the fingertips is necessary for autonomous in-hand dexterous manipulation. In our study, we explore the impact of various factors on successful learning strategies for this task. Specifically, we investigate the role of curriculum learning and haptic feedback in enabling the learning of dexterous manipulation. Using model-free Reinforcement Learning, we compare different curricula and two haptic information modalities (No-tactile vs. 3D-force sensing) for lifting and rotating a ball against gravity with a three-fingered simulated robotic hand with no visual input. Note that our best results were obtained when we used a novel curriculum-based learning rate scheduler, which adjusts the linearly-decaying learning rate when the reward is changed as it accelerates convergence to higher rewards. Our findings demonstrate that the choice of curriculum greatly biases the acquisition of different features of dexterous manipulation. Surprisingly, successful learning can be achieved even in the absence of tactile feedback, challenging conventional assumptions about the necessity of haptic information for dexterous manipulation tasks. We demonstrate the generalizability of our results to balls of different weights and sizes, underscoring the robustness of our learning approach. This work, therefore, emphasizes the importance of the choice curriculum and challenges long-held notions about the need for tactile information to autonomously learn in-hand dexterous manipulation.
Authors: Ionut-Gabriel Farcas, Rayomand P. Gundevia, Ramakanth Munipalli, Karen E. Willcox
Abstract: High-performance computing (HPC) has revolutionized our ability to perform detailed simulations of complex real-world processes. A prominent contemporary example is from aerospace propulsion, where HPC is used for rotating detonation rocket engine (RDRE) simulations in support of the design of next-generation rocket engines; however, these simulations take millions of core hours even on powerful supercomputers, which makes them impractical for engineering tasks like design exploration and risk assessment. Reduced-order models (ROMs) address this limitation by constructing computationally cheap yet sufficiently accurate approximations that serve as surrogates for the high-fidelity model. This paper contributes a new distributed algorithm that achieves fast and scalable construction of predictive physics-based ROMs trained from sparse datasets of extremely large state dimension. The algorithm learns structured physics-based ROMs that approximate the dynamical systems underlying those datasets. This enables model reduction for problems at a scale and complexity that exceeds the capabilities of existing approaches. We demonstrate our algorithm's scalability using up to $2,048$ cores on the Frontera supercomputer at the Texas Advanced Computing Center. We focus on a real-world three-dimensional RDRE for which one millisecond of simulated physical time requires one million core hours on a supercomputer. Using a training dataset of $2,536$ snapshots each of state dimension $76$ million, our distributed algorithm enables the construction of a predictive data-driven reduced model in just $13$ seconds on $2,048$ cores on Frontera.
Authors: Kiarash Banihashem, Samira Goudarzi, MohammadTaghi Hajiaghayi, Peyman Jabbarzade, Morteza Monemizadeh
Abstract: We initiate the study of the submodular cover problem in dynamic setting where the elements of the ground set are inserted and deleted. In the classical submodular cover problem, we are given a monotone submodular function $f : 2^{V} \to \mathbb{R}^{\ge 0}$ and the goal is to obtain a set $S \subseteq V$ that minimizes the cost subject to the constraint $f(S) = f(V)$. This is a classical problem in computer science and generalizes the Set Cover problem, 2-Set Cover, and dominating set problem among others. We consider this problem in a dynamic setting where there are updates to our set $V$, in the form of insertions and deletions of elements from a ground set $\mathcal{V}$, and the goal is to maintain an approximately optimal solution with low query complexity per update. For this problem, we propose a randomized algorithm that, in expectation, obtains a $(1-O(\epsilon), O(\epsilon^{-1}))$-bicriteria approximation using polylogarithmic query complexity per update.
Authors: Joel Sol, Jamil Fayyad, Shadi Alijani, Homayoun Najjaran
Abstract: Deformation detection is vital for enabling accurate assessment and prediction of structural changes in materials, ensuring timely and effective interventions to maintain safety and integrity. Automating deformation detection through computer vision is crucial for efficient monitoring, but it faces significant challenges in creating a comprehensive dataset of both deformed and non-deformed objects, which can be difficult to obtain in many scenarios. In this paper, we introduce a novel framework for generating controlled synthetic data that simulates deformed objects. This approach allows for the realistic modeling of object deformations under various conditions. Our framework integrates an intelligent adapter network that facilitates sim-to-real domain adaptation, enhancing classification results without requiring real data from deformed objects. We conduct experiments on domain adaptation and classification tasks and demonstrate that our framework improves sim-to-real classification results compared to simulation baseline.
Authors: Ajnabiul Hoque, Manajit Das, Mayank Baranwal, Raghavan B. Sunoj
Abstract: A chemical reaction mechanism (CRM) is a sequence of molecular-level events involving bond-breaking/forming processes, generating transient intermediates along the reaction pathway as reactants transform into products. Understanding such mechanisms is crucial for designing and discovering new reactions. One of the currently available methods to probe CRMs is quantum mechanical (QM) computations. The resource-intensive nature of QM methods and the scarcity of mechanism-based datasets motivated us to develop reliable ML models for predicting mechanisms. In this study, we created a comprehensive dataset with seven distinct classes, each representing uniquely characterized elementary steps. Subsequently, we developed an interpretable attention-based GNN that achieved near-unity and 96% accuracy, respectively for reaction step classification and the prediction of reactive atoms in each such step, capturing interactions between the broader reaction context and local active regions. The near-perfect classification enables accurate prediction of both individual events and the entire CRM, mitigating potential drawbacks of Seq2Seq approaches, where a wrongly predicted character leads to incoherent CRM identification. In addition to interpretability, our model adeptly identifies key atom(s) even from out-of-distribution classes. This generalizabilty allows for the inclusion of new reaction types in a modular fashion, thus will be of value to experts for understanding the reactivity of new molecules.
Authors: Sreeraj Ramachandran, Ajita Rattani
Abstract: Published research highlights the presence of demographic bias in automated facial attribute classification. The proposed bias mitigation techniques are mostly based on supervised learning, which requires a large amount of labeled training data for generalizability and scalability. However, labeled data is limited, requires laborious annotation, poses privacy risks, and can perpetuate human bias. In contrast, self-supervised learning (SSL) capitalizes on freely available unlabeled data, rendering trained models more scalable and generalizable. However, these label-free SSL models may also introduce biases by sampling false negative pairs, especially at low-data regimes 200K images) under low compute settings. Further, SSL-based models may suffer from performance degradation due to a lack of quality assurance of the unlabeled data sourced from the web. This paper proposes a fully self-supervised pipeline for demographically fair facial attribute classifiers. Leveraging completely unlabeled data pseudolabeled via pre-trained encoders, diverse data curation techniques, and meta-learning-based weighted contrastive learning, our method significantly outperforms existing SSL approaches proposed for downstream image classification tasks. Extensive evaluations on the FairFace and CelebA datasets demonstrate the efficacy of our pipeline in obtaining fair performance over existing baselines. Thus, setting a new benchmark for SSL in the fairness of facial attribute classification.
Authors: Li Li, Hubert P. H. Shum, Toby P. Breckon
Abstract: 3D point clouds play a pivotal role in outdoor scene perception, especially in the context of autonomous driving. Recent advancements in 3D LiDAR segmentation often focus intensely on the spatial positioning and distribution of points for accurate segmentation. However, these methods, while robust in variable conditions, encounter challenges due to sole reliance on coordinates and point intensity, leading to poor isometric invariance and suboptimal segmentation. To tackle this challenge, our work introduces Range-Aware Pointwise Distance Distribution (RAPiD) features and the associated RAPiD-Seg architecture. Our RAPiD features exhibit rigid transformation invariance and effectively adapt to variations in point density, with a design focus on capturing the localized geometry of neighboring structures. They utilize inherent LiDAR isotropic radiation and semantic categorization for enhanced local representation and computational efficiency, while incorporating a 4D distance metric that integrates geometric and surface material reflectivity for improved semantic segmentation. To effectively embed high-dimensional RAPiD features, we propose a double-nested autoencoder structure with a novel class-aware embedding objective to encode high-dimensional features into manageable voxel-wise embeddings. Additionally, we propose RAPiD-Seg which incorporates a channel-wise attention fusion and two effective RAPiD-Seg variants, further optimizing the embedding for enhanced performance and generalization. Our method outperforms contemporary LiDAR segmentation work in terms of mIoU on SemanticKITTI (76.1) and nuScenes (83.6) datasets.
Authors: Rui Luo, Zhixin Zhou
Abstract: Conformal prediction is a powerful framework for constructing prediction sets with valid coverage guarantees in multi-class classification. However, existing methods often rely on a single score function, which can limit their efficiency and informativeness. We propose a novel approach that combines multiple score functions to improve the performance of conformal predictors by identifying optimal weights that minimize prediction set size. Our theoretical analysis establishes a connection between the weighted score functions and subgraph classes of functions studied in Vapnik-Chervonenkis theory, providing a rigorous mathematical basis for understanding the effectiveness of the proposed method. Experiments demonstrate that our approach consistently outperforms single-score conformal predictors while maintaining valid coverage, offering a principled and data-driven way to enhance the efficiency and practicality of conformal prediction in classification tasks.
Authors: Osbert Bastani
Abstract: We prove convergence guarantees for generalized low-rank matrix sensing -- i.e., where matrix sensing where the observations may be passed through some nonlinear link function. We focus on local convergence of the optimal estimator, ignoring questions of optimization. In particular, assuming the minimizer of the empirical loss $\theta^0$ is in a constant size ball around the true parameters $\theta^*$, we prove that $d(\theta^0,\theta^*)=\tilde{O}(\sqrt{dk^2/n})$. Our analysis relies on tools from Riemannian geometry to handle the rotational symmetry in the parameter space.
Authors: Abhyuday Desai, Mohamed Abdelhamid, Nakul R. Padalkar
Abstract: In the rapidly evolving fields of Artificial Intelligence (AI) and Machine Learning (ML), the reproducibility crisis underscores the urgent need for clear validation methodologies to maintain scientific integrity and encourage advancement. The crisis is compounded by the prevalent confusion over validation terminology. Responding to this challenge, we introduce a validation framework that clarifies the roles and definitions of key validation efforts: repeatability, dependent and independent reproducibility, and direct and conceptual replicability. This structured framework aims to provide AI/ML researchers with the necessary clarity on these essential concepts, facilitating the appropriate design, conduct, and interpretation of validation studies. By articulating the nuances and specific roles of each type of validation study, we hope to contribute to a more informed and methodical approach to addressing the challenges of reproducibility, thereby supporting the community's efforts to enhance the reliability and trustworthiness of its research findings.
Authors: Marc Schmitt
Abstract: The integration of Artificial Intelligence (AI) into corporate strategy has become a pivotal focus for organizations aiming to maintain a competitive advantage in the digital age. As AI reshapes business operations and drives innovation, the need for specialized leadership to effectively manage these changes becomes increasingly apparent. In this paper, I explore the role of the Chief AI Officer (CAIO) within the C-suite, emphasizing the necessity of this position for successful AI strategy, integration, and governance. I analyze future scenarios based on current trends in three key areas: the AI Economy, AI Organization, and Competition in the Age of AI. These explorations lay the foundation for identifying the antecedents (environmental, structural, and strategic factors) that justify the inclusion of a CAIO in top management teams. This sets the stage for a comprehensive examination of the CAIO's role and the broader implications of AI leadership. This paper advances the discussion on AI leadership by providing a rationale for the strategic integration of AI at the executive level and examining the role of the Chief AI Officer within organizations.
Authors: Dimitris Papaioannou, Ioannis Christou, Nikos Anagnou, Aristotelis Chatziioannou
Abstract: Acute lymphoblastic leukemia (ALL) is a form of blood cancer that affects the white blood cells. ALL constitutes approximately 25% of pediatric cancers. Early diagnosis and treatment of ALL are crucial for improving patient outcomes. The task of identifying immature leukemic blasts from normal cells under the microscope can prove challenging, since the images of a healthy and cancerous cell appear similar morphologically. In this study, we propose a binary image classification model to assist in the diagnostic process of ALL. Our model takes as input microscopic images of blood samples and outputs a binary prediction of whether the sample is normal or cancerous. Our dataset consists of 10661 images out of 118 subjects. Deep learning techniques on convolutional neural network architectures were used to achieve accurate classification results. Our proposed method achieved 94.3% accuracy and could be used as an assisting tool for hematologists trying to predict the likelihood of a patient developing ALL.
Authors: Chahrazed Labba, Anne Boyer
Abstract: Analytical models developed in offline settings with pre-prepared data are typically used to predict students' performance. However, when data are available over time, this learning method is not suitable anymore. Online learning is increasingly used to update the online models from stream data. A rehearsal technique is typically used, which entails re-training the model on a small training set that is updated each time new data is received. The main challenge in this regard is the construction of the training set with appropriate data samples to maintain good model performance. Typically, a random selection of samples is made, which can deteriorate the model's performance. In this paper, we propose a memory-based online incremental learning approach for updating an online classifier that predicts student performance using stream data. The approach is based on the use of the genetic algorithm heuristic while respecting the memory space constraints as well as the balance of class labels. In contrast to random selection, our approach improves the stability of the analytical model by promoting diversity when creating the training set. As a proof of concept, we applied it to the open dataset OULAD. Our approach achieves a notable improvement in model accuracy, with an enhancement of nearly 10% compared to the current state-of-the-art, while maintaining a relatively low standard deviation in accuracy, ranging from 1% to 2.1%.
Authors: Guillaume Rochette, Matthew J. Vowels
Abstract: psifx is a plug-and-play multi-modal feature extraction toolkit, aiming to facilitate and democratize the use of state-of-the-art machine learning techniques for human sciences research. It is motivated by a need (a) to automate and standardize data annotation processes, otherwise involving expensive, lengthy, and inconsistent human labor, such as the transcription or coding of behavior changes from audio and video sources; (b) to develop and distribute open-source community-driven psychology research software; and (c) to enable large-scale access and ease of use to non-expert users. The framework contains an array of tools for tasks, such as speaker diarization, closed-caption transcription and translation from audio, as well as body, hand, and facial pose estimation and gaze tracking from video. The package has been designed with a modular and task-oriented approach, enabling the community to add or update new tools easily. We strongly hope that this package will provide psychologists a simple and practical solution for efficiently a range of audio, linguistic, and visual features from audio and video, thereby creating new opportunities for in-depth study of real-time behavioral phenomena.
Authors: Yinsheng He, Xingyu Li, Roger J. Zemp
Abstract: Segmenting tumors in histological images is vital for cancer diagnosis. While fully supervised models excel with pixel-level annotations, creating such annotations is labor-intensive and costly. Accurate histopathology image segmentation under weakly-supervised conditions with coarse-grained image labels is still a challenging problem. Although multiple instance learning (MIL) has shown promise in segmentation tasks, surprisingly, no previous pseudo-supervision methods have used MIL-based outputs as pseudo-masks for training. We suspect this stems from concerns over noises in MIL results affecting pseudo supervision quality. To explore the potential of leveraging MIL-based segmentation for pseudo supervision, we propose a novel distillation framework for histopathology image segmentation. This framework introduces a iterative fusion-knowledge distillation strategy, enabling the student model to learn directly from the teacher's comprehensive outcomes. Through dynamic role reversal between the fixed teacher and learnable student models and the incorporation of weighted cross-entropy loss for model optimization, our approach prevents performance deterioration and noise amplification during knowledge distillation. Experimental results on public histopathology datasets, Camelyon16 and Digestpath2019, demonstrate that our approach not only complements various MIL-based segmentation methods but also significantly enhances their performance. Additionally, our method achieves new SOTA in the field.
Authors: Geonho Son, Juhun Lee, Simon S. Woo
Abstract: The fabrication of visual misinformation on the web and social media has increased exponentially with the advent of foundational text-to-image diffusion models. Namely, Stable Diffusion inpainters allow the synthesis of maliciously inpainted images of personal and private figures, and copyrighted contents, also known as deepfakes. To combat such generations, a disruption framework, namely Photoguard, has been proposed, where it adds adversarial noise to the context image to disrupt their inpainting synthesis. While their framework suggested a diffusion-friendly approach, the disruption is not sufficiently strong and it requires a significant amount of GPU and time to immunize the context image. In our work, we re-examine both the minimal and favorable conditions for a successful inpainting disruption, proposing DDD, a "Digression guided Diffusion Disruption" framework. First, we identify the most adversarially vulnerable diffusion timestep range with respect to the hidden space. Within this scope of noised manifold, we pose the problem as a semantic digression optimization. We maximize the distance between the inpainting instance's hidden states and a semantic-aware hidden state centroid, calibrated both by Monte Carlo sampling of hidden states and a discretely projected optimization in the token space. Effectively, our approach achieves stronger disruption and a higher success rate than Photoguard while lowering the GPU memory requirement, and speeding the optimization up to three times faster.
Authors: Satya Almasian, Milena Bruseva, Michael Gertz
Abstract: Quantitative information plays a crucial role in understanding and interpreting the content of documents. Many user queries contain quantities and cannot be resolved without understanding their semantics, e.g., ``car that costs less than $10k''. Yet, modern search engines apply the same ranking mechanisms for both words and quantities, overlooking magnitude and unit information. In this paper, we introduce two quantity-aware ranking techniques designed to rank both the quantity and textual content either jointly or independently. These techniques incorporate quantity information in available retrieval systems and can address queries with numerical conditions equal, greater than, and less than. To evaluate the effectiveness of our proposed models, we introduce two novel quantity-aware benchmark datasets in the domains of finance and medicine and compare our method against various lexical and neural models. The code and data are available under https://github.com/satya77/QuantityAwareRankers.
Authors: Jan Mielniczuk, Adam Wawrze\'nczyk
Abstract: We introduce a new observational setting for Positive Unlabeled (PU) data where the observations at prediction time are also labeled. This occurs commonly in practice -- we argue that the additional information is important for prediction, and call this task "augmented PU prediction". We allow for labeling to be feature dependent. In such scenario, Bayes classifier and its risk is established and compared with a risk of a classifier which for unlabeled data is based only on predictors. We introduce several variants of the empirical Bayes rule in such scenario and investigate their performance. We emphasise dangers (and ease) of applying classical classification rule in the augmented PU scenario -- due to no preexisting studies, an unaware researcher is prone to skewing the obtained predictions. We conclude that the variant based on recently proposed variational autoencoder designed for PU scenario works on par or better than other considered variants and yields advantage over feature-only based methods in terms of accuracy for unlabeled samples.
Authors: Weiming Zhi, Haozhan Tang, Tianyi Zhang, Matthew Johnson-Roberson
Abstract: Humans have the remarkable ability to use held objects as tools to interact with their environment. For this to occur, humans internally estimate how hand movements affect the object's movement. We wish to endow robots with this capability. We contribute methodology to jointly estimate the geometry and pose of objects grasped by a robot, from RGB images captured by an external camera. Notably, our method transforms the estimated geometry into the robot's coordinate frame, while not requiring the extrinsic parameters of the external camera to be calibrated. Our approach leverages 3D foundation models, large models pre-trained on huge datasets for 3D vision tasks, to produce initial estimates of the in-hand object. These initial estimations do not have physically correct scales and are in the camera's frame. Then, we formulate, and efficiently solve, a coordinate-alignment problem to recover accurate scales, along with a transformation of the objects to the coordinate frame of the robot. Forward kinematics mappings can subsequently be defined from the manipulator's joint angles to specified points on the object. These mappings enable the estimation of points on the held object at arbitrary configurations, enabling robot motion to be designed with respect to coordinates on the grasped objects. We empirically evaluate our approach on a robot manipulator holding a diverse set of real-world objects.
Authors: Ryan Hare, Ying Tang
Abstract: In the search for more effective education, there is a widespread effort to develop better approaches to personalize student education. Unassisted, educators often do not have time or resources to personally support every student in a given classroom. Motivated by this issue, and by recent advancements in artificial intelligence, this paper presents a general-purpose framework for personalized student support, applicable to any virtual educational system such as a serious game or an intelligent tutoring system. To fit any educational situation, we apply ontologies for their semantic organization, combining them with data collection considerations and multi-agent reinforcement learning. The result is a modular system that can be adapted to any virtual educational software to provide useful personalized assistance to students.
Authors: Maziar Sabouri, Shadab Ahamed, Azin Asadzadeh, Atlas Haddadi Avval, Soroush Bagheri, Mohsen Arabi, Seyed Rasoul Zakavi, Emran Askari, Ali Rasouli, Atena Aghaee, Mohaddese Sehati, Fereshteh Yousefirizi, Carlos Uribe, Ghasem Hajianfar, Habib Zaidi, Arman Rahmim
Abstract: The objective of this study was to develop an automated pipeline that enhances thyroid disease classification using thyroid scintigraphy images, aiming to decrease assessment time and increase diagnostic accuracy. Anterior thyroid scintigraphy images from 2,643 patients were collected and categorized into diffuse goiter (DG), multinodal goiter (MNG), and thyroiditis (TH) based on clinical reports, and then segmented by an expert. A ResUNet model was trained to perform auto-segmentation. Radiomic features were extracted from both physician (scenario 1) and ResUNet segmentations (scenario 2), followed by omitting highly correlated features using Spearman's correlation, and feature selection using Recursive Feature Elimination (RFE) with XGBoost as the core. All models were trained under leave-one-center-out cross-validation (LOCOCV) scheme, where nine instances of algorithms were iteratively trained and validated on data from eight centers and tested on the ninth for both scenarios separately. Segmentation performance was assessed using the Dice similarity coefficient (DSC), while classification performance was assessed using metrics, such as precision, recall, F1-score, accuracy, area under the Receiver Operating Characteristic (ROC AUC), and area under the precision-recall curve (PRC AUC). ResUNet achieved DSC values of 0.84$\pm$0.03, 0.71$\pm$0.06, and 0.86$\pm$0.02 for MNG, TH, and DG, respectively. Classification in scenario 1 achieved an accuracy of 0.76$\pm$0.04 and a ROC AUC of 0.92$\pm$0.02 while in scenario 2, classification yielded an accuracy of 0.74$\pm$0.05 and a ROC AUC of 0.90$\pm$0.02. The automated pipeline demonstrated comparable performance to physician segmentations on several classification metrics across different classes, effectively reducing assessment time while maintaining high diagnostic accuracy. Code available at: https://github.com/ahxmeds/thyroidiomics.git.
Authors: Olivia Y. Lee, Annie Xie, Kuan Fang, Karl Pertsch, Chelsea Finn
Abstract: Robots equipped with reinforcement learning (RL) have the potential to learn a wide range of skills solely from a reward signal. However, obtaining a robust and dense reward signal for general manipulation tasks remains a challenge. Existing learning-based approaches require significant data, such as demonstrations or examples of success and failure, to learn task-specific reward functions. Recently, there is also a growing adoption of large multi-modal foundation models for robotics. These models can perform visual reasoning in physical contexts and generate coarse robot motions for various manipulation tasks. Motivated by this range of capability, in this work, we propose and study rewards shaped by vision-language models (VLMs). State-of-the-art VLMs have demonstrated an impressive ability to reason about affordances through keypoints in zero-shot, and we leverage this to define dense rewards for robotic learning. On a real-world manipulation task specified by natural language description, we find that these rewards improve the sample efficiency of autonomous RL and enable successful completion of the task in 20K online finetuning steps. Additionally, we demonstrate the robustness of the approach to reductions in the number of in-domain demonstrations used for pretraining, reaching comparable performance in 35K online finetuning steps.
Authors: Yitian Zhang, Xu Ma, Yue Bai, Huan Wang, Yun Fu
Abstract: Vision foundation models are renowned for their generalization ability due to massive training data. Nevertheless, they demand tremendous training resources, and the training data is often inaccessible, e.g., CLIP, DINOv2, posing great challenges to developing derivatives that could advance research in this field. In this work, we offer a very simple and general solution, named Proteus, to distill foundation models into smaller equivalents on ImageNet-1K without access to the original training data. Specifically, we remove the designs from conventional knowledge distillation settings that result in dataset bias and present three levels of training objectives, i.e., token, patch, and feature, to maximize the efficacy of knowledge transfer. In this manner, Proteus is trained at ImageNet-level costs with surprising ability, facilitating the accessibility of training foundation models for the broader research community. Leveraging DINOv2-g/14 as the teacher, Proteus-L/14 matches the performance of the Oracle method DINOv2-L/14 (142M training data) across 15 benchmarks and outperforms other vision foundation models including CLIP-L/14 (400M), OpenCLIP-L/14 (400M/2B) and SynCLR-L/14 (600M).
Authors: Weiming Zhi
Abstract: Contemporary robots have become exceptionally skilled at achieving specific tasks in structured environments. However, they often fail when faced with the limitless permutations of real-world unstructured environments. This motivates robotics methods which learn from experience, rather than follow a pre-defined set of rules. In this thesis, we present a range of learning-based methods aimed at enabling robots, operating in dynamic and unstructured environments, to better understand their surroundings, anticipate the actions of others, and take informed actions accordingly.
Authors: Hyungjun Yoon, Biniyam Aschalew Tolera, Taesik Gong, Kimin Lee, Sung-Ju Lee
Abstract: Large language models (LLMs) have demonstrated exceptional abilities across various domains. However, utilizing LLMs for ubiquitous sensing applications remains challenging as existing text-prompt methods show significant performance degradation when handling long sensor data sequences. We propose a visual prompting approach for sensor data using multimodal LLMs (MLLMs). We design a visual prompt that directs MLLMs to utilize visualized sensor data alongside the target sensory task descriptions. Additionally, we introduce a visualization generator that automates the creation of optimal visualizations tailored to a given sensory task, eliminating the need for prior task-specific knowledge. We evaluated our approach on nine sensory tasks involving four sensing modalities, achieving an average of 10% higher accuracy than text-based prompts and reducing token costs by 15.8x. Our findings highlight the effectiveness and cost-efficiency of visual prompts with MLLMs for various sensory tasks.
Authors: Zitong Lu, Yile Wang
Abstract: Deep convolutional neural networks (DCNNs) have demonstrated excellent performance in object recognition and have been found to share some similarities with brain visual processing. However, the substantial gap between DCNNs and human visual perception still exists. Functional magnetic resonance imaging (fMRI) as a widely used technique in cognitive neuroscience can record neural activation in the human visual cortex during the process of visual perception. Can we teach DCNNs human fMRI signals to achieve a more brain-like model? To answer this question, this study proposed ReAlnet-fMRI, a model based on the SOTA vision model CORnet but optimized using human fMRI data through a multi-layer encoding-based alignment framework. This framework has been shown to effectively enable the model to learn human brain representations. The fMRI-optimized ReAlnet-fMRI exhibited higher similarity to the human brain than both CORnet and the control model in within-and across-subject as well as within- and across-modality model-brain (fMRI and EEG) alignment evaluations. Additionally, we conducted an in-depth analyses to investigate how the internal representations of ReAlnet-fMRI differ from CORnet in encoding various object dimensions. These findings provide the possibility of enhancing the brain-likeness of visual models by integrating human neural data, helping to bridge the gap between computer vision and visual neuroscience.
Authors: Han Bao, Asuka Takatsu
Abstract: A fundamental challenge in machine learning is the choice of a loss as it characterizes our learning task, is minimized in the training phase, and serves as an evaluation criterion for estimators. Proper losses are commonly chosen, ensuring minimizers of the full risk match the true probability vector. Estimators induced from a proper loss are widely used to construct forecasters for downstream tasks such as classification and ranking. In this procedure, how does the forecaster based on the obtained estimator perform well under a given downstream task? This question is substantially relevant to the behavior of the $p$-norm between the estimated and true probability vectors when the estimator is updated. In the proper loss framework, the suboptimality of the estimated probability vector from the true probability vector is measured by a surrogate regret. First, we analyze a surrogate regret and show that the strict properness of a loss is necessary and sufficient to establish a non-vacuous surrogate regret bound. Second, we solve an important open question that the order of convergence in p-norm cannot be faster than the $1/2$-order of surrogate regrets for a broad class of strictly proper losses. This implies that strongly proper losses entail the optimal convergence rate.
Authors: Akifumi Okuno
Abstract: This paper presents an integrated perspective on robustness in regression. Specifically, we examine the relationship between traditional outlier-resistant robust estimation and robust optimization, which focuses on parameter estimation resistant to imaginary dataset-perturbations. While both are commonly regarded as robust methods, these concepts demonstrate a bias-variance trade-off, indicating that they follow roughly converse strategies.
Authors: Xianing Chen. Hanting Chen, Hailin Hu
Abstract: Frequency domain representation of time series feature offers a concise representation for handling real-world time series data with inherent complexity and dynamic nature. However, current frequency-based methods with complex operations still fall short of state-of-the-art time domain methods for general time series analysis. In this work, we present Omni-Dimensional Frequency Learner (ODFL) model based on a in depth analysis among all the three aspects of the spectrum feature: channel redundancy property among the frequency dimension, the sparse and un-salient frequency energy distribution among the frequency dimension, and the semantic diversity among the variable dimension. Technically, our method is composed of a semantic-adaptive global filter with attention to the un-salient frequency bands and partial operation among the channel dimension. Empirical results show that ODFL achieves consistent state-of-the-art in five mainstream time series analysis tasks, including short- and long-term forecasting, imputation, classification, and anomaly detection, offering a promising foundation for time series analysis.
Authors: Ruying Liu, Wanjing Wu, Burcin Becerik-Gerber, Gale M. Lucas
Abstract: With the alarming rise in active shooter incidents (ASIs) in the United States, enhancing public safety through building design has become a pressing need. This study proposes a reinforcement learning-based simulation approach addressing gaps in existing research that has neglected the dynamic behaviours of shooters. We developed an autonomous agent to simulate an active shooter within a realistic office environment, aiming to offer insights into the interactions between building design parameters and ASI outcomes. A case study is conducted to quantitatively investigate the impact of building exit numbers (total count of accessible exits) and configuration (arrangement of which exits are available or not) on evacuation and harm rates. Findings demonstrate that greater exit availability significantly improves evacuation outcomes and reduces harm. Exits nearer to the shooter's initial position hold greater importance for accessibility than those farther away. By encompassing dynamic shooter behaviours, this study offers preliminary insights into effective building safety design against evolving threats.
Authors: Eliad Shem-Tov, Moshe Sipper, Achiya Elyasaf
Abstract: We present two novel domain-independent genetic operators that harness the capabilities of deep learning: a crossover operator for genetic algorithms and a mutation operator for genetic programming. Deep Neural Crossover leverages the capabilities of deep reinforcement learning and an encoder-decoder architecture to select offspring genes. BERT mutation masks multiple gp-tree nodes and then tries to replace these masks with nodes that will most likely improve the individual's fitness. We show the efficacy of both operators through experimentation.
Authors: Ziheng Chen, Yue Song, Xiao-Jun Wu, Gaowen Liu, Nicu Sebe
Abstract: Global Covariance Pooling (GCP) has been demonstrated to improve the performance of Deep Neural Networks (DNNs) by exploiting second-order statistics of high-level representations. GCP typically performs classification of the covariance matrices by applying matrix function normalization, such as matrix logarithm or power, followed by a Euclidean classifier. However, covariance matrices inherently lie in a Riemannian manifold, known as the Symmetric Positive Definite (SPD) manifold. The current literature does not provide a satisfactory explanation of why Euclidean classifiers can be applied directly to Riemannian features after the normalization of the matrix power. To mitigate this gap, this paper provides a comprehensive and unified understanding of the matrix logarithm and power from a Riemannian geometry perspective. The underlying mechanism of matrix functions in GCP is interpreted from two perspectives: one based on tangent classifiers (Euclidean classifiers on the tangent space) and the other based on Riemannian classifiers. Via theoretical analysis and empirical validation through extensive experiments on fine-grained and large-scale visual classification datasets, we conclude that the working mechanism of the matrix functions should be attributed to the Riemannian classifiers they implicitly respect.
Authors: Benjamin Heymann (FAIRPLAY), R\'emi Chan--Renous-Legoubin, Alexandre Gilotte
Abstract: Online advertising banners are sold in real-time through auctions.Typically, the more banners a user is shown, the smaller the marginalvalue of the next banner for this user is. This fact can be detected bybasic ML models, that can be used to predict how previously won auctionsdecrease the current opportunity value. However, learning is not enough toproduce a bid that correctly accounts for how winning the current auctionimpacts the future values. Indeed, a policy that uses this prediction tomaximize the expected payoff of the current auction could be dubbedimpatient because such policy does not fully account for the repeatednature of the auctions. Under this perspective, it seems that most biddersin the literature are impatient. Unsurprisingly, impatience induces a cost.We provide two empirical arguments for the importance of this cost ofimpatience. First, an offline counterfactual analysis and, second, a notablebusiness metrics improvement by mitigating the cost of impatience withpolicy learning
Authors: Andrea Eirale, Matteo Leonetti, Marcello Chiaberge
Abstract: Achieving social acceptance is one of the main goals of Social Robotic Navigation. Despite this topic has received increasing interest in recent years, most of the research has focused on driving the robotic agent along obstacle-free trajectories, planning around estimates of future human motion to respect personal distances and optimize navigation. However, social interactions in everyday life are also dictated by norms that do not strictly depend on movement, such as when standing at the end of a queue rather than cutting it. In this paper, we propose a novel method to recognize common social scenarios and modify a traditional planner's cost function to adapt to them. This solution enables the robot to carry out different social navigation behaviors that would not arise otherwise, maintaining the robustness of traditional navigation. Our approach allows the robot to learn different social norms with a single learned model, rather than having different modules for each task. As a proof of concept, we consider the tasks of queuing and respect interaction spaces of groups of people talking to one another, but the method can be extended to other human activities that do not involve motion.
Authors: Jaehoon Ahn, Sumin Cho, Harim Jung, Kibeom Hong, Seonghoon Ban, Moon-Ryul Jung
Abstract: We introduce ConTEXTure, a generative network designed to create a texture map/atlas for a given 3D mesh using images from multiple viewpoints. The process begins with generating a front-view image from a text prompt, such as 'Napoleon, front view', describing the 3D mesh. Additional images from different viewpoints are derived from this front-view image and camera poses relative to it. ConTEXTure builds upon the TEXTure network, which uses text prompts for six viewpoints (e.g., 'Napoleon, front view', 'Napoleon, left view', etc.). However, TEXTure often generates images for non-front viewpoints that do not accurately represent those viewpoints.To address this issue, we employ Zero123++, which generates multiple view-consistent images for the six specified viewpoints simultaneously, conditioned on the initial front-view image and the depth maps of the mesh for the six viewpoints. By utilizing these view-consistent images, ConTEXTure learns the texture atlas from all viewpoint images concurrently, unlike previous methods that do so sequentially. This approach ensures that the rendered images from various viewpoints, including back, side, bottom, and top, are free from viewpoint irregularities.
Authors: David Abel, Mark K. Ho, Anna Harutyunyan
Abstract: Modern reinforcement learning has been conditioned by at least three dogmas. The first is the environment spotlight, which refers to our tendency to focus on modeling environments rather than agents. The second is our treatment of learning as finding the solution to a task, rather than adaptation. The third is the reward hypothesis, which states that all goals and purposes can be well thought of as maximization of a reward signal. These three dogmas shape much of what we think of as the science of reinforcement learning. While each of the dogmas have played an important role in developing the field, it is time we bring them to the surface and reflect on whether they belong as basic ingredients of our scientific paradigm. In order to realize the potential of reinforcement learning as a canonical frame for researching intelligent agents, we suggest that it is time we shed dogmas one and two entirely, and embrace a nuanced approach to the third.
Authors: Haipeng Luo, Qingfeng Sun, Can Xu, Pu Zhao, Qingwei Lin, Jianguang Lou, Shifeng Chen, Yansong Tang, Weizhu Chen
Abstract: Assessing the effectiveness of large language models (LLMs) presents substantial challenges. The method of conducting human-annotated battles in an online Chatbot Arena is a highly effective evaluative technique. However, this approach is limited by the costs and time required for human annotation. In this paper, we introduce Arena Learning, an innovative offline strategy designed to simulate these arena battles using AI-driven annotations to evaluate battle outcomes, thus facilitating the continuous improvement of the target model through both supervised fine-tuning and reinforcement learning. Arena Learning comprises two key elements. First, it ensures precise evaluations and maintains consistency between offline simulations and online competitions via WizardArena, a pipeline developed to accurately predict the Elo rankings of various models using a meticulously designed offline test set. Our results demonstrate that WizardArena's predictions closely align with those from the online Arena. Second, it involves the continuous improvement of training data based on the battle results and the refined model. We establish a data flywheel to iteratively update the training data by highlighting the weaknesses of the target model based on its battle results, enabling it to learn from the strengths of multiple different models. We apply Arena Learning to train our target model, WizardLM-$\beta$, and demonstrate significant performance enhancements across various metrics. This fully automated training and evaluation pipeline sets the stage for continuous advancements in various LLMs via post-training. Notably, Arena Learning plays a pivotal role in the success of WizardLM-2, and this paper serves both as an exploration of its efficacy and a foundational study for future discussions related to WizardLM-2 and its derivatives.
Authors: Vidhyapriya Ranganathan, Celshiya Udaiyar, Jaisree Jayanth, Meghaa P V, Srija B, Uthra S
Abstract: Brain tumor is a life-threatening problem and hampers the normal functioning of the human body. The average five-year relative survival rate for malignant brain tumors is 35.6 percent. For proper diagnosis and efficient treatment planning, it is necessary to detect the brain tumor in early stages. Due to advancement in medical imaging technology, the brain images are taken in different modalities. The ability to extract relevant characteristics from magnetic resonance imaging (MRI) scans is a crucial step for brain tumor classifiers. Several studies have proposed various strategies to extract relevant features from different modalities of MRI to predict the growth of abnormal tumors. Most techniques used conventional methods of image processing for feature extraction and machine learning for classification. More recently, the use of deep learning algorithms in medical imaging has resulted in significant improvements in the classification and diagnosis of brain tumors. Since tumors are located at different regions of the brain, localizing the tumor and classifying it to a particular category is a challenging task. The objective of this project is to develop a predictive system for brain tumor detection using machine learning(ensembling).
Authors: Hyungjin Chung, Jong Chul Ye
Abstract: Recent inverse problem solvers that leverage generative diffusion priors have garnered significant attention due to their exceptional quality. However, adaptation of the prior is necessary when there exists a discrepancy between the training and testing distributions. In this work, we propose deep diffusion image prior (DDIP), which generalizes the recent adaptation method of SCD by introducing a formal connection to the deep image prior. Under this framework, we propose an efficient adaptation method dubbed D3IP, specified for 3D measurements, which accelerates DDIP by orders of magnitude while achieving superior performance. D3IP enables seamless integration of 3D inverse solvers and thus leads to coherent 3D reconstruction. Moreover, we show that meta-learning techniques can also be applied to yield even better performance. We show that our method is capable of solving diverse 3D reconstructive tasks from the generative prior trained only with phantom images that are vastly different from the training set, opening up new opportunities of applying diffusion inverse solvers even when training with gold standard data is impossible. Code: https://github.com/HJ-harry/DDIP3D
Authors: Xin Peng, Ang Gao
Abstract: Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.
Authors: Triet H. M. Le, M. Ali Babar
Abstract: Background: Software Vulnerability (SV) assessment is increasingly adopted to address the ever-increasing volume and complexity of SVs. Data-driven approaches have been widely used to automate SV assessment tasks, particularly the prediction of the Common Vulnerability Scoring System (CVSS) metrics such as exploitability, impact, and severity. SV assessment suffers from the imbalanced distributions of the CVSS classes, but such data imbalance has been hardly understood and addressed in the literature. Aims: We conduct a large-scale study to quantify the impacts of data imbalance and mitigate the issue for SV assessment through the use of data augmentation. Method: We leverage nine data augmentation techniques to balance the class distributions of the CVSS metrics. We then compare the performance of SV assessment models with and without leveraging the augmented data. Results: Through extensive experiments on 180k+ real-world SVs, we show that mitigating data imbalance can significantly improve the predictive performance of models for all the CVSS tasks, by up to 31.8% in Matthews Correlation Coefficient. We also discover that simple text augmentation like combining random text insertion, deletion, and replacement can outperform the baseline across the board. Conclusions: Our study provides the motivation and the first promising step toward tackling data imbalance for effective SV assessment.
Authors: Xabier E. Barandiaran, Lola S. Almendros
Abstract: This paper investigates the ontological characterization of Large Language Models (LLMs) like ChatGPT. Between inflationary and deflationary accounts, we pay special attention to their status as agents. This requires explaining in detail the architecture, processing, and training procedures that enable LLMs to display their capacities, and the extensions used to turn LLMs into agent-like systems. After a systematic analysis we conclude that a LLM fails to meet necessary and sufficient conditions for autonomous agency in the light of embodied theories of mind: the individuality condition (it is not the product of its own activity, it is not even directly affected by it), the normativity condition (it does not generate its own norms or goals), and, partially the interactional asymmetry condition (it is not the origin and sustained source of its interaction with the environment). If not agents, then ... what are LLMs? We argue that ChatGPT should be characterized as an interlocutor or linguistic automaton, a library-that-talks, devoid of (autonomous) agency, but capable to engage performatively on non-purposeful yet purpose-structured and purpose-bounded tasks. When interacting with humans, a "ghostly" component of the human-machine interaction makes it possible to enact genuine conversational experiences with LLMs. Despite their lack of sensorimotor and biological embodiment, LLMs textual embodiment (the training corpus) and resource-hungry computational embodiment, significantly transform existing forms of human agency. Beyond assisted and extended agency, the LLM-human coupling can produce midtended forms of agency, closer to the production of intentional agency than to the extended instrumentality of any previous technologies.
Authors: Yunfei Chu, Jin Xu, Qian Yang, Haojie Wei, Xipin Wei, Zhifang Guo, Yichong Leng, Yuanjun Lv, Jinzheng He, Junyang Lin, Chang Zhou, Jingren Zhou
Abstract: We introduce the latest progress of Qwen-Audio, a large-scale audio-language model called Qwen2-Audio, which is capable of accepting various audio signal inputs and performing audio analysis or direct textual responses with regard to speech instructions. In contrast to complex hierarchical tags, we have simplified the pre-training process by utilizing natural language prompts for different data and tasks, and have further expanded the data volume. We have boosted the instruction-following capability of Qwen2-Audio and implemented two distinct audio interaction modes for voice chat and audio analysis. In the voice chat mode, users can freely engage in voice interactions with Qwen2-Audio without text input. In the audio analysis mode, users could provide audio and text instructions for analysis during the interaction. Note that we do not use any system prompts to switch between voice chat and audio analysis modes. Qwen2-Audio is capable of intelligently comprehending the content within audio and following voice commands to respond appropriately. For instance, in an audio segment that simultaneously contains sounds, multi-speaker conversations, and a voice command, Qwen2-Audio can directly understand the command and provide an interpretation and response to the audio. Additionally, DPO has optimized the model's performance in terms of factuality and adherence to desired behavior. According to the evaluation results from AIR-Bench, Qwen2-Audio outperformed previous SOTAs, such as Gemini-1.5-pro, in tests focused on audio-centric instruction-following capabilities. Qwen2-Audio is open-sourced with the aim of fostering the advancement of the multi-modal language community.
Authors: Hannah Sansford, Nicholas Richardson, Hermina Petric Maretic, Juba Nait Saada
Abstract: Methods to evaluate Large Language Model (LLM) responses and detect inconsistencies, also known as hallucinations, with respect to the provided knowledge, are becoming increasingly important for LLM applications. Current metrics fall short in their ability to provide explainable decisions, systematically check all pieces of information in the response, and are often too computationally expensive to be used in practice. We present GraphEval: a hallucination evaluation framework based on representing information in Knowledge Graph (KG) structures. Our method identifies the specific triples in the KG that are prone to hallucinations and hence provides more insight into where in the response a hallucination has occurred, if at all, than previous methods. Furthermore, using our approach in conjunction with state-of-the-art natural language inference (NLI) models leads to an improvement in balanced accuracy on various hallucination benchmarks, compared to using the raw NLI models. Lastly, we explore the use of GraphEval for hallucination correction by leveraging the structure of the KG, a method we name GraphCorrect, and demonstrate that the majority of hallucinations can indeed be rectified.
Authors: Friedhelm Hamann, Ziyun Wang, Ioannis Asmanis, Kenneth Chaney, Guillermo Gallego, Kostas Daniilidis
Abstract: Current optical flow and point-tracking methods rely heavily on synthetic datasets. Event cameras are novel vision sensors with advantages in challenging visual conditions, but state-of-the-art frame-based methods cannot be easily adapted to event data due to the limitations of current event simulators. We introduce a novel self-supervised loss combining the Contrast Maximization framework with a non-linear motion prior in the form of pixel-level trajectories and propose an efficient solution to solve the high-dimensional assignment problem between non-linear trajectories and events. Their effectiveness is demonstrated in two scenarios: In dense continuous-time motion estimation, our method improves the zero-shot performance of a synthetically trained model on the real-world dataset EVIMO2 by 29%. In optical flow estimation, our method elevates a simple UNet to achieve state-of-the-art performance among self-supervised methods on the DSEC optical flow benchmark. Our code is available at https://github.com/tub-rip/MotionPriorCMax.
Authors: Shubham Juneja, Povilas Daniu\v{s}is, Virginijus Marcinkevi\v{c}ius
Abstract: In this article, we focus on the pre-training of visual autonomous driving agents in the context of imitation learning. Current methods often rely on a classification-based pre-training, which we hypothesise to be holding back from extending capabilities of implicit image understanding. We propose pre-training the visual encoder of a driving agent using the self-distillation with no labels (DINO) method, which relies on a self-supervised learning paradigm.% and is trained on an unrelated task. Our experiments in CARLA environment in accordance with the Leaderboard benchmark reveal that the proposed pre-training is more efficient than classification-based pre-training, and is on par with the recently proposed pre-training based on visual place recognition (VPRPre).
Authors: Pawe{\l} Zyblewski, Jakub Klikowski, Weronika Borek-Marciniec, Pawe{\l} Ksieniewicz
Abstract: Tabular data is considered the last unconquered castle of deep learning, yet the task of data stream classification is stated to be an equally important and demanding research area. Due to the temporal constraints, it is assumed that deep learning methods are not the optimal solution for application in this field. However, excluding the entire -- and prevalent -- group of methods seems rather rash given the progress that has been made in recent years in its development. For this reason, the following paper is the first to present an approach to natural language data stream classification using the sentence space method, which allows for encoding text into the form of a discrete digital signal. This allows the use of convolutional deep networks dedicated to image classification to solve the task of recognizing fake news based on text data. Based on the real-life Fakeddit dataset, the proposed approach was compared with state-of-the-art algorithms for data stream classification based on generalization ability and time complexity.
Authors: Yuqi Jiang, Xudong Lu, Qian Jin, Qi Sun, Hanming Wu, Cheng Zhuo
Abstract: Intelligence is key to advancing integrated circuit (IC) fabrication. Recent breakthroughs in Large Multimodal Models (LMMs) have unlocked unparalleled abilities in understanding images and text, fostering intelligent fabrication. Leveraging the power of LMMs, we introduce FabGPT, a customized IC fabrication large multimodal model for wafer defect knowledge query. FabGPT manifests expertise in conducting defect detection in Scanning Electron Microscope (SEM) images, performing root cause analysis, and providing expert question-answering (Q&A) on fabrication processes. FabGPT matches enhanced multimodal features to automatically detect minute defects under complex wafer backgrounds and reduce the subjectivity of manual threshold settings. Besides, the proposed modulation module and interactive corpus training strategy embed wafer defect knowledge into the pre-trained model, effectively balancing Q&A queries related to defect knowledge and original knowledge and mitigating the modality bias issues. Experiments on in-house fab data (SEM-WaD) show that our FabGPT achieves significant performance improvement in wafer defect detection and knowledge querying.
Authors: Haoyuan Jiang, Xuantang Xiong, Ziyue Li, Hangyu Mao, Guanghu Sui, Jingqing Ruan, Yuheng Cheng, Hua Wei, Wolfgang Ketter, Rui Zhao
Abstract: Currently, traffic signal control (TSC) methods based on reinforcement learning (RL) have proven superior to traditional methods. However, most RL methods face difficulties when applied in the real world due to three factors: input, output, and the cycle-flow relation. The industry's observable input is much more limited than simulation-based RL methods. For real-world solutions, only flow can be reliably collected, whereas common RL methods need more. For the output action, most RL methods focus on acyclic control, which real-world signal controllers do not support. Most importantly, industry standards require a consistent cycle-flow relationship: non-decreasing and different response strategies for low, medium, and high-level flows, which is ignored by the RL methods. To narrow the gap between RL methods and industry standards, we innovatively propose to use industry solutions to guide the RL agent. Specifically, we design behavior cloning and curriculum learning to guide the agent to mimic and meet industry requirements and, at the same time, leverage the power of exploration and exploitation in RL for better performance. We theoretically prove that such guidance can largely decrease the sample complexity to polynomials in the horizon when searching for an optimal policy. Our rigid experiments show that our method has good cycle-flow relation and superior performance.
Authors: Tu Vu, Kalpesh Krishna, Salaheddin Alzubi, Chris Tar, Manaal Faruqui, Yun-Hsuan Sung
Abstract: As large language models (LLMs) advance, it becomes more challenging to reliably evaluate their output due to the high costs of human evaluation. To make progress towards better LLM autoraters, we introduce FLAMe, a family of Foundational Large Autorater Models. FLAMe is trained on our large and diverse collection of 100+ quality assessment tasks comprising 5M+ human judgments, curated and standardized using publicly released human evaluations from previous research. FLAMe significantly improves generalization to a wide variety of held-out tasks, outperforming LLMs trained on proprietary data like GPT-4 and Claude-3 on many tasks. We show that FLAMe can also serve as a powerful starting point for further downstream fine-tuning, using reward modeling evaluation as a case study (FLAMe-RM). Notably, on RewardBench, our FLAMe-RM-24B model (with an accuracy of 87.8%) is the top-performing generative model trained exclusively on permissively licensed data, outperforming both GPT-4-0125 (85.9%) and GPT-4o (84.7%). Additionally, we explore a more computationally efficient approach using a novel tail-patch fine-tuning strategy to optimize our FLAMe multitask mixture for reward modeling evaluation (FLAMe-Opt-RM), offering competitive RewardBench performance while requiring approximately 25x less training datapoints. Overall, our FLAMe variants outperform all popular proprietary LLM-as-a-Judge models we consider across 8 out of 12 autorater evaluation benchmarks, encompassing 53 quality assessment tasks, including RewardBench and LLM-AggreFact. Finally, our analysis reveals that FLAMe is significantly less biased than these LLM-as-a-Judge models on the CoBBLEr autorater bias benchmark, while effectively identifying high-quality responses for code generation.
Authors: Victor Churchill
Abstract: We present a computational technique for modeling the evolution of dynamical systems in a reduced basis, with a focus on the challenging problem of modeling partially-observed partial differential equations (PDEs) on high-dimensional non-uniform grids. We address limitations of previous work on data-driven flow map learning in the sense that we focus on noisy and limited data to move toward data collection scenarios in real-world applications. Leveraging recent work on modeling PDEs in modal and nodal spaces, we present a neural network structure that is suitable for PDE modeling with noisy and limited data available only on a subset of the state variables or computational domain. In particular, spatial grid-point measurements are reduced using a learned linear transformation, after which the dynamics are learned in this reduced basis before being transformed back out to the nodal space. This approach yields a drastically reduced parameterization of the neural network compared with previous flow map models for nodal space learning. This primarily allows for smaller training data sets, but also enables reduced training times.
Authors: Keshav Bimbraw, Ye Wang, Jing Liu, Toshiaki Koike-Akino
Abstract: Large vision-language models (LVLMs), such as the Generative Pre-trained Transformer 4-omni (GPT-4o), are emerging multi-modal foundation models which have great potential as powerful artificial-intelligence (AI) assistance tools for a myriad of applications, including healthcare, industrial, and academic sectors. Although such foundation models perform well in a wide range of general tasks, their capability without fine-tuning is often limited in specialized tasks. However, full fine-tuning of large foundation models is challenging due to enormous computation/memory/dataset requirements. We show that GPT-4o can decode hand gestures from forearm ultrasound data even with no fine-tuning, and improves with few-shot, in-context learning.
Authors: Keshav Bimbraw, Jing Liu, Ye Wang, Toshiaki Koike-Akino
Abstract: Biosignal-based hand gesture classification is an important component of effective human-machine interaction. For multimodal biosignal sensing, the modalities often face data loss due to missing channels in the data which can adversely affect the gesture classification performance. To make the classifiers robust to missing channels in the data, this paper proposes using Random Channel Ablation (RChA) during the training process. Ultrasound and force myography (FMG) data were acquired from the forearm for 12 hand gestures over 2 subjects. The resulting multimodal data had 16 total channels, 8 for each modality. The proposed method was applied to convolutional neural network architecture, and compared with baseline, imputation, and oracle methods. Using 5-fold cross-validation for the two subjects, on average, 12.2% and 24.5% improvement was observed for gesture classification with up to 4 and 8 missing channels respectively compared to the baseline. Notably, the proposed method is also robust to an increase in the number of missing channels compared to other methods. These results show the efficacy of using random channel ablation to improve classifier robustness for multimodal and multi-channel biosignal-based hand gesture classification.
Authors: Yehonathan Refael, Adam Hakim, Lev Greenberg, Tal Aviv, Satya Lokam, Ben Fishman, Shachar Seidman
Abstract: Large language models (LLMs) have recently seen widespread adoption, in both academia and industry. As these models grow, they become valuable intellectual property (IP), reflecting enormous investments by their owners. Moreover, the high cost of cloud-based deployment has driven interest towards deployment to edge devices, yet this risks exposing valuable parameters to theft and unauthorized use. Current methods to protect models' IP on the edge have limitations in terms of practicality, loss in accuracy, or suitability to requirements. In this paper, we introduce a novel hybrid inference algorithm, named SLIP, designed to protect edge-deployed models from theft. SLIP is the first hybrid protocol that is both practical for real-world applications and provably secure, while having zero accuracy degradation and minimal impact on latency. It involves partitioning the model between two computing resources, one secure but expensive, and another cost-effective but vulnerable. This is achieved through matrix decomposition, ensuring that the secure resource retains a maximally sensitive portion of the model's IP while performing a minimal amount of computations, and vice versa for the vulnerable resource. Importantly, the protocol includes security guarantees that prevent attackers from exploiting the partition to infer the secured information. Finally, we present experimental results that show the robustness and effectiveness of our method, positioning it as a compelling solution for protecting LLMs.
Authors: Ilker Oguz, Niyazi Ulas Dinc, Mustafa Yildirim, Junjie Ke, Innfarn Yoo, Qifei Wang, Feng Yang, Christophe Moser, Demetri Psaltis
Abstract: Diffusion models generate new samples by progressively decreasing the noise from the initially provided random distribution. This inference procedure generally utilizes a trained neural network numerous times to obtain the final output, creating significant latency and energy consumption on digital electronic hardware such as GPUs. In this study, we demonstrate that the propagation of a light beam through a semi-transparent medium can be programmed to implement a denoising diffusion model on image samples. This framework projects noisy image patterns through passive diffractive optical layers, which collectively only transmit the predicted noise term in the image. The optical transparent layers, which are trained with an online training approach, backpropagating the error to the analytical model of the system, are passive and kept the same across different steps of denoising. Hence this method enables high-speed image generation with minimal power consumption, benefiting from the bandwidth and energy efficiency of optical information processing.
Authors: Jae Myung Kim, Jessica Bader, Stephan Alaniz, Cordelia Schmid, Zeynep Akata
Abstract: While text-to-image diffusion models have been shown to achieve state-of-the-art results in image synthesis, they have yet to prove their effectiveness in downstream applications. Previous work has proposed to generate data for image classifier training given limited real data access. However, these methods struggle to generate in-distribution images or depict fine-grained features, thereby hindering the generalization of classification models trained on synthetic datasets. We propose DataDream, a framework for synthesizing classification datasets that more faithfully represents the real data distribution when guided by few-shot examples of the target classes. DataDream fine-tunes LoRA weights for the image generation model on the few real images before generating the training data using the adapted model. We then fine-tune LoRA weights for CLIP using the synthetic data to improve downstream image classification over previous approaches on a large variety of datasets. We demonstrate the efficacy of DataDream through extensive experiments, surpassing state-of-the-art classification accuracy with few-shot data across 7 out of 10 datasets, while being competitive on the other 3. Additionally, we provide insights into the impact of various factors, such as the number of real-shot and generated images as well as the fine-tuning compute on model performance. The code is available at https://github.com/ExplainableML/DataDream.
Authors: Pandiyaraju V, Shravan Venkatraman, Abeshek A, Aravintakshan S A, Pavan Kumar S, Kannan A
Abstract: Alzheimer's disease (AD) represents the primary form of neurodegeneration, impacting millions of individuals each year and causing progressive cognitive decline. Accurately diagnosing and classifying AD using neuroimaging data presents ongoing challenges in medicine, necessitating advanced interventions that will enhance treatment measures. In this research, we introduce a dual attention enhanced deep learning (DL) framework for classifying AD from neuroimaging data. Combined spatial and self-attention mechanisms play a vital role in emphasizing focus on neurofibrillary tangles and amyloid plaques from the MRI images, which are difficult to discern with regular imaging techniques. Results demonstrate that our model yielded remarkable performance in comparison to existing state of the art (SOTA) convolutional neural networks (CNNs), with an accuracy of 99.1%. Moreover, it recorded remarkable metrics, with an F1-Score of 99.31%, a precision of 99.24%, and a recall of 99.5%. These results highlight the promise of cutting edge DL methods in medical diagnostics, contributing to highly reliable and more efficient healthcare solutions.
Authors: Dilara Soylu, Christopher Potts, Omar Khattab
Abstract: Natural Language Processing (NLP) systems are increasingly taking the form of multi-stage pipelines involving multiple distinct language models (LMs) and prompting strategies. Here we address the question of how to fine-tune such systems to improve their performance. We cast this as a problem of optimizing the underlying LM weights and the prompting strategies together, and consider a challenging but highly realistic scenario in which we have no gold labels for any intermediate stages in the pipeline. To address this challenge, we evaluate approximate optimization strategies in which we bootstrap training labels for all pipeline stages and use these to optimize the pipeline's prompts and fine-tune its weights alternatingly. In experiments with multi-hop QA, mathematical reasoning, and feature-based classification, we find that simple approaches for optimizing the prompts and weights together outperform directly optimizing weights alone and prompts alone by up to 65% and 5%, respectively, on average across LMs and tasks. We will release our new optimizers in DSPy at http://dspy.ai
URLs: http://dspy.ai
Authors: Dan Friedman, Abhishek Panigrahi, Danqi Chen
Abstract: Transformer-based chatbots can conduct fluent, natural-sounding conversations, but we have limited understanding of the mechanisms underlying their behavior. Prior work has taken a bottom-up approach to understanding Transformers by constructing Transformers for various synthetic and formal language tasks, such as regular expressions and Dyck languages. However, it is not obvious how to extend this approach to understand more naturalistic conversational agents. In this work, we take a step in this direction by constructing a Transformer that implements the ELIZA program, a classic, rule-based chatbot. ELIZA illustrates some of the distinctive challenges of the conversational setting, including both local pattern matching and long-term dialog state tracking. We build on constructions from prior work -- in particular, for simulating finite-state automata -- showing how simpler constructions can be composed and extended to give rise to more sophisticated behavior. Next, we train Transformers on a dataset of synthetically generated ELIZA conversations and investigate the mechanisms the models learn. Our analysis illustrates the kinds of mechanisms these models tend to prefer -- for example, models favor an induction head mechanism over a more precise, position based copying mechanism; and using intermediate generations to simulate recurrent data structures, like ELIZA's memory mechanisms. Overall, by drawing an explicit connection between neural chatbots and interpretable, symbolic mechanisms, our results offer a new setting for mechanistic analysis of conversational agents.
Authors: Hsueh-Ti Derek Liu, Maneesh Agrawala, Cem Yuksel, Tim Omernick, Vinith Misra, Stefano Corazza, Morgan McGuire, Victor Zordan
Abstract: This paper presents a unified differentiable boolean operator for implicit solid shape modeling using Constructive Solid Geometry (CSG). Traditional CSG relies on min, max operators to perform boolean operations on implicit shapes. But because these boolean operators are discontinuous and discrete in the choice of operations, this makes optimization over the CSG representation challenging. Drawing inspiration from fuzzy logic, we present a unified boolean operator that outputs a continuous function and is differentiable with respect to operator types. This enables optimization of both the primitives and the boolean operations employed in CSG with continuous optimization techniques, such as gradient descent. We further demonstrate that such a continuous boolean operator allows modeling of both sharp mechanical objects and smooth organic shapes with the same framework. Our proposed boolean operator opens up new possibilities for future research toward fully continuous CSG optimization.
Authors: Tong Zhang, Chris Junchi Li
Abstract: In this paper, we revisit \textsf{ROOT-SGD}, an innovative method for stochastic optimization to bridge the gap between stochastic optimization and statistical efficiency. The proposed method enhances the performance and reliability of \textsf{ROOT-SGD} by integrating a carefully designed \emph{diminishing stepsize strategy}. This approach addresses key challenges in optimization, providing robust theoretical guarantees and practical benefits. Our analysis demonstrates that \textsf{ROOT-SGD} with diminishing achieves optimal convergence rates while maintaining computational efficiency. By dynamically adjusting the learning rate, \textsf{ROOT-SGD} ensures improved stability and precision throughout the optimization process. The findings of this study offer valuable insights for developing advanced optimization algorithms that are both efficient and statistically robust.
Authors: Walter Simoncini, Spyros Gidaris, Andrei Bursuc, Yuki M. Asano
Abstract: This paper introduces FUNGI, Features from UNsupervised GradIents, a method to enhance the features of vision encoders by leveraging self-supervised gradients. Our method is simple: given any pretrained model, we first compute gradients from various self-supervised objectives for each input. These are projected to a lower dimension and then concatenated with the model's embedding. The resulting features are evaluated on k-nearest neighbor classification over 11 datasets from vision, 5 from natural language processing, and 2 from audio. Across backbones spanning various sizes and pretraining strategies, FUNGI features provide consistent performance improvements over the embeddings. We also show that using FUNGI features can benefit linear classification and image retrieval, and that they significantly improve the retrieval-based in-context scene understanding abilities of pretrained models, for example improving upon DINO by +17% for semantic segmentation - without any training.
Authors: Hongyu Wang, Shuming Ma, Ruiping Wang, Furu Wei
Abstract: We introduce, Q-Sparse, a simple yet effective approach to training sparsely-activated large language models (LLMs). Q-Sparse enables full sparsity of activations in LLMs which can bring significant efficiency gains in inference. This is achieved by applying top-K sparsification to the activations and the straight-through-estimator to the training. The key results from this work are, (1) Q-Sparse can achieve results comparable to those of baseline LLMs while being much more efficient at inference time; (2) We present an inference-optimal scaling law for sparsely-activated LLMs; (3) Q-Sparse is effective in different settings, including training-from-scratch, continue-training of off-the-shelf LLMs, and finetuning; (4) Q-Sparse works for both full-precision and 1-bit LLMs (e.g., BitNet b1.58). Particularly, the synergy of BitNet b1.58 and Q-Sparse (can be equipped with MoE) provides the cornerstone and a clear path to revolutionize the efficiency, including cost and energy consumption, of future LLMs.
Authors: Bocheng Zou, Mu Cai, Jianrui Zhang, Yong Jae Lee
Abstract: In the realm of vision models, the primary mode of representation is using pixels to rasterize the visual world. Yet this is not always the best or unique way to represent visual content, especially for designers and artists who depict the world using geometry primitives such as polygons. Vector graphics (VG), on the other hand, offer a textual representation of visual content, which can be more concise and powerful for content like cartoons or sketches. Recent studies have shown promising results on processing vector graphics with capable Large Language Models (LLMs). However, such works focus solely on qualitative results, understanding, or a specific type of vector graphics. We propose VGBench, a comprehensive benchmark for LLMs on handling vector graphics through diverse aspects, including (a) both visual understanding and generation, (b) evaluation of various vector graphics formats, (c) diverse question types, (d) wide range of prompting techniques, (e) under multiple LLMs. Evaluating on our collected 4279 understanding and 5845 generation samples, we find that LLMs show strong capability on both aspects while exhibiting less desirable performance on low-level formats (SVG). Both data and evaluation pipeline will be open-sourced at https://vgbench.github.io.
Authors: Yuhao Ding, Junzi Zhang, Hyunin Lee, Javad Lavaei
Abstract: Entropy regularization is an efficient technique for encouraging exploration and preventing a premature convergence of (vanilla) policy gradient methods in reinforcement learning (RL). However, the theoretical understanding of entropy-regularized RL algorithms has been limited. In this paper, we revisit the classical entropy regularized policy gradient methods with the soft-max policy parametrization, whose convergence has so far only been established assuming access to exact gradient oracles. To go beyond this scenario, we propose the first set of (nearly) unbiased stochastic policy gradient estimators with trajectory-level entropy regularization, with one being an unbiased visitation measure-based estimator and the other one being a nearly unbiased yet more practical trajectory-based estimator. We prove that although the estimators themselves are unbounded in general due to the additional logarithmic policy rewards introduced by the entropy term, the variances are uniformly bounded. We then propose a two-phase stochastic policy gradient (PG) algorithm that uses a large batch size in the first phase to overcome the challenge of the stochastic approximation due to the non-coercive landscape, and uses a small batch size in the second phase by leveraging the curvature information around the optimal policy. We establish a global optimality convergence result and a sample complexity of $\widetilde{\mathcal{O}}(\frac{1}{\epsilon^2})$ for the proposed algorithm. Our result is the first global convergence and sample complexity results for the stochastic entropy-regularized vanilla PG method.
Authors: Sebastian Bordt, Uddeshya Upadhyay, Zeynep Akata, Ulrike von Luxburg
Abstract: When do gradient-based explanation algorithms provide perceptually-aligned explanations? We propose a criterion: the feature attributions need to be aligned with the tangent space of the data manifold. To provide evidence for this hypothesis, we introduce a framework based on variational autoencoders that allows to estimate and generate image manifolds. Through experiments across a range of different datasets -- MNIST, EMNIST, CIFAR10, X-ray pneumonia and Diabetic Retinopathy detection -- we demonstrate that the more a feature attribution is aligned with the tangent space of the data, the more perceptually-aligned it tends to be. We then show that the attributions provided by popular post-hoc methods such as Integrated Gradients and SmoothGrad are more strongly aligned with the data manifold than the raw gradient. Adversarial training also improves the alignment of model gradients with the data manifold. As a consequence, we suggest that explanation algorithms should actively strive to align their explanations with the data manifold. This is an extended version of a CVPR Workshop paper. Code is available at https://github.com/tml-tuebingen/explanations-manifold.
URLs: https://github.com/tml-tuebingen/explanations-manifold.
Authors: Yan Kang, Jiahuan Luo, Yuanqin He, Xiaojin Zhang, Lixin Fan, Qiang Yang
Abstract: Federated learning (FL) has emerged as a practical solution to tackle data silo issues without compromising user privacy. One of its variants, vertical federated learning (VFL), has recently gained increasing attention as the VFL matches the enterprises' demands of leveraging more valuable features to build better machine learning models while preserving user privacy. Current works in VFL concentrate on developing a specific protection or attack mechanism for a particular VFL algorithm. In this work, we propose an evaluation framework that formulates the privacy-utility evaluation problem. We then use this framework as a guide to comprehensively evaluate a broad range of protection mechanisms against most of the state-of-the-art privacy attacks for three widely deployed VFL algorithms. These evaluations may help FL practitioners select appropriate protection mechanisms given specific requirements. Our evaluation results demonstrate that: the model inversion and most of the label inference attacks can be thwarted by existing protection mechanisms; the model completion (MC) attack is difficult to be prevented, which calls for more advanced MC-targeted protection mechanisms. Based on our evaluation results, we offer concrete advice on improving the privacy-preserving capability of VFL systems. The code is available at https://github.com/yankang18/VFL-Attack-Defense
Authors: Mehdi Cherti, Romain Beaumont, Ross Wightman, Mitchell Wortsman, Gabriel Ilharco, Cade Gordon, Christoph Schuhmann, Ludwig Schmidt, Jenia Jitsev
Abstract: Scaling up neural networks has led to remarkable performance across a wide range of tasks. Moreover, performance often follows reliable scaling laws as a function of training set size, model size, and compute, which offers valuable guidance as large-scale experiments are becoming increasingly expensive. However, previous work on scaling laws has primarily used private data \& models or focused on uni-modal language or vision learning. To address these limitations, we investigate scaling laws for contrastive language-image pre-training (CLIP) with the public LAION dataset and the open-source OpenCLIP repository. Our large-scale experiments involve models trained on up to two billion image-text pairs and identify power law scaling for multiple downstream tasks including zero-shot classification, retrieval, linear probing, and end-to-end fine-tuning. We find that the training distribution plays a key role in scaling laws as the OpenAI and OpenCLIP models exhibit different scaling behavior despite identical model architectures and similar training recipes. We open-source our evaluation workflow and all models, including the largest public CLIP models, to ensure reproducibility and make scaling laws research more accessible. Source code and instructions to reproduce this study will be available at https://github.com/LAION-AI/scaling-laws-openclip
Authors: Jie Gui, Tuo Chen, Jing Zhang, Qiong Cao, Zhenan Sun, Hao Luo, Dacheng Tao
Abstract: Deep supervised learning algorithms typically require a large volume of labeled data to achieve satisfactory performance. However, the process of collecting and labeling such data can be expensive and time-consuming. Self-supervised learning (SSL), a subset of unsupervised learning, aims to learn discriminative features from unlabeled data without relying on human-annotated labels. SSL has garnered significant attention recently, leading to the development of numerous related algorithms. However, there is a dearth of comprehensive studies that elucidate the connections and evolution of different SSL variants. This paper presents a review of diverse SSL methods, encompassing algorithmic aspects, application domains, three key trends, and open research questions. Firstly, we provide a detailed introduction to the motivations behind most SSL algorithms and compare their commonalities and differences. Secondly, we explore representative applications of SSL in domains such as image processing, computer vision, and natural language processing. Lastly, we discuss the three primary trends observed in SSL research and highlight the open questions that remain. A curated collection of valuable resources can be accessed at https://github.com/guijiejie/SSL.
Authors: Seungwoo Son, Jegwang Ryu, Namhoon Lee, Jaeho Lee
Abstract: Knowledge distillation is an effective method for training lightweight vision models. However, acquiring teacher supervision for training samples is often costly, especially from large-scale models like vision transformers (ViTs). In this paper, we develop a simple framework to reduce the supervision cost of ViT distillation: masking out a fraction of input tokens given to the teacher. By masking input tokens, one can skip the computations associated with the masked tokens without requiring any change to teacher parameters or architecture. We find that masking patches with the lowest student attention scores is highly effective, saving up to 50% of teacher FLOPs without any drop in student accuracy, while other masking criterion leads to suboptimal efficiency gains. Through in-depth analyses, we reveal that the student-guided masking provides a good curriculum to the student, making teacher supervision easier to follow during the early stage and challenging in the later stage.
Authors: Wenchong He, Zhe Jiang, Tingsong Xiao, Zelin Xu, Yukun Li
Abstract: Deep neural networks (DNNs) have achieved tremendous success in making accurate predictions for computer vision, natural language processing, as well as science and engineering domains. However, it is also well-recognized that DNNs sometimes make unexpected, incorrect, but overconfident predictions. This can cause serious consequences in high-stake applications, such as autonomous driving, medical diagnosis, and disaster response. Uncertainty quantification (UQ) aims to estimate the confidence of DNN predictions beyond prediction accuracy. In recent years, many UQ methods have been developed for DNNs. It is of great practical value to systematically categorize these UQ methods and compare their advantages and disadvantages. However, existing surveys mostly focus on categorizing UQ methodologies from a neural network architecture perspective or a Bayesian perspective and ignore the source of uncertainty that each methodology can incorporate, making it difficult to select an appropriate UQ method in practice. To fill the gap, this paper presents a systematic taxonomy of UQ methods for DNNs based on the types of uncertainty sources (data uncertainty versus model uncertainty). We summarize the advantages and disadvantages of methods in each category. We show how our taxonomy of UQ methodologies can potentially help guide the choice of UQ method in different machine learning problems (e.g., active learning, robustness, and reinforcement learning). We also identify current research gaps and propose several future research directions.
Authors: Alexandr Sedykh, Maninadh Podapaka, Asel Sagingalieva, Karan Pinto, Markus Pflitsch, Alexey Melnikov
Abstract: Finding the distribution of the velocities and pressures of a fluid by solving the Navier-Stokes equations is a principal task in the chemical, energy, and pharmaceutical industries, as well as in mechanical engineering and the design of pipeline systems. With existing solvers, such as OpenFOAM and Ansys, simulations of fluid dynamics in intricate geometries are computationally expensive and require re-simulation whenever the geometric parameters or the initial and boundary conditions are altered. Physics-informed neural networks are a promising tool for simulating fluid flows in complex geometries, as they can adapt to changes in the geometry and mesh definitions, allowing for generalization across fluid parameters and transfer learning across different shapes. We present a hybrid quantum physics-informed neural network that simulates laminar fluid flows in 3D Y-shaped mixers. Our approach combines the expressive power of a quantum model with the flexibility of a physics-informed neural network, resulting in a 21% higher accuracy compared to a purely classical neural network. Our findings highlight the potential of machine learning approaches, and in particular hybrid quantum physics-informed neural network, for complex shape optimization tasks in computational fluid dynamics. By improving the accuracy of fluid simulations in complex geometries, our research using hybrid quantum models contributes to the development of more efficient and reliable fluid dynamics solvers.
Authors: Emanuel Sanchez Aimar, Nathaniel Helgesen, Yonghao Xu, Marco Kuhlmann, Michael Felsberg
Abstract: Long-tailed semi-supervised learning (LTSSL) represents a practical scenario for semi-supervised applications, challenged by skewed labeled distributions that bias classifiers. This problem is often aggravated by discrepancies between labeled and unlabeled class distributions, leading to biased pseudo-labels, neglect of rare classes, and poorly calibrated probabilities. To address these issues, we introduce Flexible Distribution Alignment (FlexDA), a novel adaptive logit-adjusted loss framework designed to dynamically estimate and align predictions with the actual distribution of unlabeled data and achieve a balanced classifier by the end of training. FlexDA is further enhanced by a distillation-based consistency loss, promoting fair data usage across classes and effectively leveraging underconfident samples. This method, encapsulated in ADELLO (Align and Distill Everything All at Once), proves robust against label shift, significantly improves model calibration in LTSSL contexts, and surpasses previous state-of-of-art approaches across multiple benchmarks, including CIFAR100-LT, STL10-LT, and ImageNet127, addressing class imbalance challenges in semi-supervised learning. Our code is available at https://github.com/emasa/ADELLO-LTSSL.
Authors: Marcel K\"uhn, Bernd Rosenow
Abstract: Stochastic gradient descent (SGD) has become a cornerstone of neural network optimization, yet the noise introduced by SGD is often assumed to be uncorrelated over time, despite the ubiquity of epoch-based training. In this work, we challenge this assumption and investigate the effects of epoch-based noise correlations on the stationary distribution of discrete-time SGD with momentum, limited to a quadratic loss. Our main contributions are twofold: first, we calculate the exact autocorrelation of the noise for training in epochs under the assumption that the noise is independent of small fluctuations in the weight vector, and find that SGD noise is anti-correlated in time. Second, we explore the influence of these anti-correlations on SGD dynamics. We find that for directions with a curvature greater than a hyperparameter-dependent crossover value, the results for uncorrelated noise are recovered. However, for relatively flat directions, the weight variance is significantly reduced, and our variance prediction leads to a considerable reduction in loss fluctuations as compared to the constant weight variance assumption.
Authors: Juan D. Caicedo, Carlos Guirado, Marta C. Gonz\'alez, Joan L. Walker
Abstract: This research foregrounds general practices in travel demand research, emphasizing the need to change our ways. A critical barrier preventing travel demand literature from effectively informing policy is the volume of publications without clear, consolidated benchmarks, making it difficult for researchers and policymakers to gather insights and use models to guide decision-making. By emphasizing reproducibility and open collaboration, we aim to enhance the reliability and policy relevance of travel demand research. We present a collaborative infrastructure for transit demand prediction models, focusing on their performance during highly dynamic conditions like the COVID-19 pandemic. Drawing from over 300 published papers, we develop an open-source infrastructure with five common methodologies and assess their performance under stable and dynamic conditions. We found that the prediction error for the LSTM deep learning approach stabilized at a mean arctangent absolute percentage error (MAAPE) of about 0.12 within 1.5 months, whereas other models continued to exhibit higher error rates even a year into the pandemic. If research practices had prioritized reproducibility before the COVID-19 pandemic, transit agencies would have had clearer guidance on the best forecasting methods and quickly identified those best suited for pandemic conditions to inform operations in response to changes in transit demand. The aim of this open-source codebase is to lower the barrier for other researchers to replicate, reproduce models and build upon findings. We encourage researchers to test their own modeling approaches on this benchmarking platform, challenge the analyses conducted in this paper, and develop model specifications that can outperform those evaluated here. Further, collaborative research approaches must be expanded across travel demand modeling if we wish to impact policy and planning.
Authors: Vinod Kumar Chauhan, Jiandong Zhou, Ping Lu, Soheila Molaei, David A. Clifton
Abstract: Hypernetworks, or hypernets for short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning. Despite their success across different problem settings, there is currently no comprehensive review available to inform researchers about the latest developments and to assist in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example of training deep neural networks using hypernets and propose categorizing hypernets based on five design criteria: inputs, outputs, variability of inputs and outputs, and the architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain underexplored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.
Authors: Rafael Ayll\'on-Gavil\'an, David Guijo-Rubio, Pedro Antonio Guti\'errez, Anthony Bagnall, C\'esar Herv\'as-Mart\'inez
Abstract: Time Series Classification (TSC) covers the supervised learning problem where input data is provided in the form of series of values observed through repeated measurements over time, and whose objective is to predict the category to which they belong. When the class values are ordinal, classifiers that take this into account can perform better than nominal classifiers. Time Series Ordinal Classification (TSOC) is the field covering this gap, yet unexplored in the literature. There are a wide range of time series problems showing an ordered label structure, and TSC techniques that ignore the order relationship discard useful information. Hence, this paper presents a first benchmarking of TSOC methodologies, exploiting the ordering of the target labels to boost the performance of current TSC state-of-the-art. Both convolutional- and deep learning-based methodologies (among the best performing alternatives for nominal TSC) are adapted for TSOC. For the experiments, a selection of 29 ordinal problems from two well-known archives has been made. In this way, this paper contributes to the establishment of the state-of-the-art in TSOC. The results obtained by ordinal versions are found to be significantly better than current nominal TSC techniques in terms of ordinal performance metrics, outlining the importance of considering the ordering of the labels when dealing with this kind of problems.
Authors: Kaifu Wang, Efthymia Tsamoura, Dan Roth
Abstract: We consider a weakly supervised learning scenario where the supervision signal is generated by a transition function $\sigma$ of labels associated with multiple input instances. We formulate this problem as \emph{multi-instance Partial Label Learning (multi-instance PLL)}, which is an extension to the standard PLL problem. Our problem is met in different fields, including latent structural learning and neuro-symbolic integration. Despite the existence of many learning techniques, limited theoretical analysis has been dedicated to this problem. In this paper, we provide the first theoretical study of multi-instance PLL with possibly an unknown transition $\sigma$. Our main contributions are as follows. Firstly, we propose a necessary and sufficient condition for the learnability of the problem. This condition non-trivially generalizes and relaxes the existing small ambiguity degree in the PLL literature, since we allow the transition to be deterministic. Secondly, we derive Rademacher-style error bounds based on a top-$k$ surrogate loss that is widely used in the neuro-symbolic literature. Furthermore, we conclude with empirical experiments for learning under unknown transitions. The empirical results align with our theoretical findings; however, they also expose the issue of scalability in the weak supervision literature.
Authors: Marcel Hussing, Jorge A. Mendez, Anisha Singrodia, Cassandra Kent, Eric Eaton
Abstract: Offline reinforcement learning (RL) is a promising direction that allows RL agents to pre-train on large datasets, avoiding the recurrence of expensive data collection. To advance the field, it is crucial to generate large-scale datasets. Compositional RL is particularly appealing for generating such large datasets, since 1)~it permits creating many tasks from few components, 2)~the task structure may enable trained agents to solve new tasks by combining relevant learned components, and 3)~the compositional dimensions provide a notion of task relatedness. This paper provides four offline RL datasets for simulated robotic manipulation created using the $256$ tasks from CompoSuite [Mendez at al., 2022a]. Each dataset is collected from an agent with a different degree of performance, and consists of $256$ million transitions. We provide training and evaluation settings for assessing an agent's ability to learn compositional task policies. Our benchmarking experiments show that current offline RL methods can learn the training tasks to some extent and that compositional methods outperform non-compositional methods. Yet current methods are unable to extract the compositional structure to generalize to unseen tasks, highlighting a need for future research in offline compositional RL.
Authors: Xuelong Dai, Kaisheng Liang, Bin Xiao
Abstract: Unrestricted adversarial attacks present a serious threat to deep learning models and adversarial defense techniques. They pose severe security problems for deep learning applications because they can effectively bypass defense mechanisms. However, previous attack methods often directly inject Projected Gradient Descent (PGD) gradients into the sampling of generative models, which are not theoretically provable and thus generate unrealistic examples by incorporating adversarial objectives, especially for GAN-based methods on large-scale datasets like ImageNet. In this paper, we propose a new method, called AdvDiff, to generate unrestricted adversarial examples with diffusion models. We design two novel adversarial guidance techniques to conduct adversarial sampling in the reverse generation process of diffusion models. These two techniques are effective and stable in generating high-quality, realistic adversarial examples by integrating gradients of the target classifier interpretably. Experimental results on MNIST and ImageNet datasets demonstrate that AdvDiff is effective in generating unrestricted adversarial examples, which outperforms state-of-the-art unrestricted adversarial attack methods in terms of attack performance and generation quality.
Authors: Grzegorz Rype\'s\'c, Daniel Marczak, Sebastian Cygert, Tomasz Trzci\'nski, Bart{\l}omiej Twardowski
Abstract: Generalized Continual Category Discovery (GCCD) tackles learning from sequentially arriving, partially labeled datasets while uncovering new categories. Traditional methods depend on feature distillation to prevent forgetting the old knowledge. However, this strategy restricts the model's ability to adapt and effectively distinguish new categories. To address this, we introduce a novel technique integrating a learnable projector with feature distillation, thus enhancing model adaptability without sacrificing past knowledge. The resulting distribution shift of the previously learned categories is mitigated with the auxiliary category adaptation network. We demonstrate that while each component offers modest benefits individually, their combination - dubbed CAMP (Category Adaptation Meets Projected distillation) - significantly improves the balance between learning new information and retaining old. CAMP exhibits superior performance across several GCCD and Class Incremental Learning scenarios. The code is available at https://github.com/grypesc/CAMP.
Authors: Yong Lin, Lu Tan, Yifan Hao, Honam Wong, Hanze Dong, Weizhong Zhang, Yujiu Yang, Tong Zhang
Abstract: Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected ``FalseFalseTrue" phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Additionally, our findings provide the first explanation for the mysterious phenomenon of weight space ensembles outperforming output space ensembles in OOD. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further propose a novel averaging method called BAlaNced averaGing (BANG) which significantly enhances the OOD performance of WiSE-FT.
Authors: Hao Liu, Jiarui Feng, Lecheng Kong, Ningyue Liang, Dacheng Tao, Yixin Chen, Muhan Zhang
Abstract: Designing a single model to address multiple tasks has been a long-standing objective in artificial intelligence. Recently, large language models have demonstrated exceptional capability in solving different tasks within the language domain. However, a unified model for various graph tasks remains underexplored, primarily due to the challenges unique to the graph learning domain. First, graph data from different areas carry distinct attributes and follow different distributions. Such discrepancy makes it hard to represent graphs in a single representation space. Second, tasks on graphs diversify into node, link, and graph tasks, requiring distinct embedding strategies. Finally, an appropriate graph prompting paradigm for in-context learning is unclear. We propose \textbf{One for All (OFA)}, the first general framework that can use a single graph model to address the above challenges. Specifically, OFA proposes text-attributed graphs to unify different graph data by describing nodes and edges with natural language and uses language models to encode the diverse and possibly cross-domain text attributes to feature vectors in the same embedding space. Furthermore, OFA introduces the concept of nodes-of-interest to standardize different tasks with a single task representation. For in-context learning on graphs, OFA introduces a novel graph prompting paradigm that appends prompting substructures to the input graph, which enables it to address varied tasks without fine-tuning. We train the OFA model using graph data from multiple domains (including citation networks, molecular graphs, knowledge graphs, etc.) simultaneously and evaluate its ability in supervised, few-shot, and zero-shot learning scenarios. OFA performs well across different tasks, making it the first general-purpose across-domains classification model on graphs.
Authors: Dmitrii Krasheninnikov, Egor Krasheninnikov, Bruno Mlodozeniec, Tegan Maharaj, David Krueger
Abstract: We demonstrate that LLMs may learn indicators of document usefulness and modulate their updates accordingly. We introduce random strings ("tags") as indicators of usefulness in a synthetic fine-tuning dataset. Fine-tuning on this dataset leads to implicit meta-learning (IML): in further fine-tuning, the model updates to make more use of text that is tagged as useful. We perform a thorough empirical investigation of this phenomenon, finding (among other things) that (i) it occurs in both pretrained LLMs and those trained from scratch, as well as on a vision task, and (ii) larger models and smaller batch sizes tend to give more IML. We also use probing to examine how IML changes the way models store knowledge in their parameters. Finally, we reflect on what our results might imply about capabilities, risks, and controllability of future AI systems. Our code can be found at https://github.com/krasheninnikov/internalization.
Authors: Naoki Sato, Hideaki Iiduka
Abstract: The graduated optimization approach is a heuristic method for finding globally optimal solutions for nonconvex functions and has been theoretically analyzed in several studies. This paper defines a new family of nonconvex functions for graduated optimization, discusses their sufficient conditions, and provides a convergence analysis of the graduated optimization algorithm for them. It shows that stochastic gradient descent (SGD) with mini-batch stochastic gradients has the effect of smoothing the objective function, the degree of which is determined by the learning rate, batch size, and variance of the stochastic gradient. This finding provides theoretical insights on why large batch sizes fall into sharp local minima, why decaying learning rates and increasing batch sizes are superior to fixed learning rates and batch sizes, and what the optimal learning rate scheduling is. To the best of our knowledge, this is the first paper to provide a theoretical explanation for these aspects. In addition, we show that the degree of smoothing introduced is strongly correlated with the generalization performance of the model. Moreover, a new graduated optimization framework that uses a decaying learning rate and increasing batch size is analyzed and experimental results of image classification are reported that support our theoretical findings.
Authors: Edan Meyer, Adam White, Marlos C. Machado
Abstract: Reinforcement learning (RL) agents make decisions using nothing but observations from the environment, and consequently, heavily rely on the representations of those observations. Though some recent breakthroughs have used vector-based categorical representations of observations, often referred to as discrete representations, there is little work explicitly assessing the significance of such a choice. In this work, we provide a thorough empirical investigation of the advantages of representing observations as vectors of categorical values within the context of reinforcement learning. We perform evaluations on world-model learning, model-free RL, and ultimately continual RL problems, where the benefits best align with the needs of the problem setting. We find that, when compared to traditional continuous representations, world models learned over discrete representations accurately model more of the world with less capacity, and that agents trained with discrete representations learn better policies with less data. In the context of continual RL, these benefits translate into faster adapting agents. Additionally, our analysis suggests that the observed performance improvements can be attributed to the information contained within the latent vectors and potentially the encoding of the discrete representation itself.
Authors: Luka Ribar, Ivan Chelombiev, Luke Hudlass-Galley, Charlie Blake, Carlo Luschi, Douglas Orr
Abstract: The computational difficulties of large language model (LLM) inference remain a significant obstacle to their widespread deployment. The need for many applications to support long input sequences and process them in large batches typically causes token-generation to be bottlenecked by data transfer. For this reason, we introduce SparQ Attention, a technique for increasing the inference throughput of LLMs by utilising memory bandwidth more efficiently within the attention layers, through selective fetching of the cached history. Our proposed technique can be applied directly to off-the-shelf LLMs during inference, without requiring any modification to the pre-training setup or additional fine-tuning. We show that SparQ Attention brings up to 8x savings in attention data transfers without substantial drops in accuracy, by evaluating Llama 2 and 3, Mistral, Gemma and Pythia models on a wide range of downstream tasks.
Authors: Kate Baumli, Satinder Baveja, Feryal Behbahani, Harris Chan, Gheorghe Comanici, Sebastian Flennerhag, Maxime Gazeau, Kristian Holsheimer, Dan Horgan, Michael Laskin, Clare Lyle, Hussain Masoom, Kay McKinney, Volodymyr Mnih, Alexander Neitz, Dmitry Nikulin, Fabio Pardo, Jack Parker-Holder, John Quan, Tim Rockt\"aschel, Himanshu Sahni, Tom Schaul, Yannick Schroecker, Stephen Spencer, Richie Steigerwald, Luyu Wang, Lei Zhang
Abstract: Building generalist agents that can accomplish many goals in rich open-ended environments is one of the research frontiers for reinforcement learning. A key limiting factor for building generalist agents with RL has been the need for a large number of reward functions for achieving different goals. We investigate the feasibility of using off-the-shelf vision-language models, or VLMs, as sources of rewards for reinforcement learning agents. We show how rewards for visual achievement of a variety of language goals can be derived from the CLIP family of models, and used to train RL agents that can achieve a variety of language goals. We showcase this approach in two distinct visual domains and present a scaling trend showing how larger VLMs lead to more accurate rewards for visual goal achievement, which in turn produces more capable RL agents.
Authors: Peter Sorrenson, Felix Draxler, Armand Rousselot, Sander Hummerich, Ullrich K\"othe
Abstract: We propose Manifold Free-Form Flows (M-FFF), a simple new generative model for data on manifolds. The existing approaches to learning a distribution on arbitrary manifolds are expensive at inference time, since sampling requires solving a differential equation. Our method overcomes this limitation by sampling in a single function evaluation. The key innovation is to optimize a neural network via maximum likelihood on the manifold, possible by adapting the free-form flow framework to Riemannian manifolds. M-FFF is straightforwardly adapted to any manifold with a known projection. It consistently matches or outperforms previous single-step methods specialized to specific manifolds, and is competitive with multi-step methods with typically two orders of magnitude faster inference speed. We make our code public at https://github.com/vislearn/FFF.
Authors: Paul Daoudi, Christophe Prieur, Bogdan Robu, Merwan Barlier, Ludovic Dos Santos
Abstract: Off-dynamics Reinforcement Learning (ODRL) seeks to transfer a policy from a source environment to a target environment characterized by distinct yet similar dynamics. In this context, traditional RL agents depend excessively on the dynamics of the source environment, resulting in the discovery of policies that excel in this environment but fail to provide reasonable performance in the target one. In the few-shot framework, a limited number of transitions from the target environment are introduced to facilitate a more effective transfer. Addressing this challenge, we propose an innovative approach inspired by recent advancements in Imitation Learning and conservative RL algorithms. The proposed method introduces a penalty to regulate the trajectories generated by the source-trained policy. We evaluate our method across various environments representing diverse off-dynamics conditions, where access to the target environment is extremely limited. These experiments include high-dimensional systems relevant to real-world applications. Across most tested scenarios, our proposed method demonstrates performance improvements compared to existing baselines.
Authors: Xinran Li, Jun Zhang
Abstract: Effective communication protocols in multi-agent reinforcement learning (MARL) are critical to fostering cooperation and enhancing team performance. To leverage communication, many previous works have proposed to compress local information into a single message and broadcast it to all reachable agents. This simplistic messaging mechanism, however, may fail to provide adequate, critical, and relevant information to individual agents, especially in severely bandwidth-limited scenarios. This motivates us to develop context-aware communication schemes for MARL, aiming to deliver personalized messages to different agents. Our communication protocol, named CACOM, consists of two stages. In the first stage, agents exchange coarse representations in a broadcast fashion, providing context for the second stage. Following this, agents utilize attention mechanisms in the second stage to selectively generate messages personalized for the receivers. Furthermore, we employ the learned step size quantization (LSQ) technique for message quantization to reduce the communication overhead. To evaluate the effectiveness of CACOM, we integrate it with both actor-critic and value-based MARL algorithms. Empirical results on cooperative benchmark tasks demonstrate that CACOM provides evident performance gains over baselines under communication-constrained scenarios. The code is publicly available at https://github.com/LXXXXR/CACOM.
Authors: Siddharth Jha, Coleman Hooper, Xiaoxuan Liu, Sehoon Kim, Kurt Keutzer
Abstract: Many applications must provide low-latency LLM service to users or risk unacceptable user experience. However, over-provisioning resources to serve fluctuating request patterns is often prohibitively expensive. In this work, we present a best-effort serving system that employs deep reinforcement learning to adjust service quality based on the task distribution and system load. Our best-effort system can maintain availability with over 10x higher client request rates, serves above 96% of peak performance 4.1x more often, and serves above 98% of peak performance 2.3x more often than static serving on unpredictable workloads. Our learned router is robust to shifts in both the arrival and task distribution. Compared to static serving, learned best-effort serving allows for cost-efficient serving through increased hardware utility. Additionally, we argue that learned best-effort LLM serving is applicable in wide variety of settings and provides application developers great flexibility to meet their specific needs.
Authors: Patrick Cook, Danny Jammooa, Morten Hjorth-Jensen, Daniel D. Lee, Dean Lee
Abstract: We present a general class of machine learning algorithms called parametric matrix models. In contrast with most existing machine learning models that imitate the biology of neurons, parametric matrix models use matrix equations that emulate the physics of quantum systems. Similar to how physics problems are usually solved, parametric matrix models learn the governing equations that lead to the desired outputs. Parametric matrix models can be efficiently trained from empirical data, and the equations may use algebraic, differential, or integral relations. While originally designed for scientific computing, we prove that parametric matrix models are universal function approximators that can be applied to general machine learning problems. After introducing the underlying theory, we apply parametric matrix models to a series of different challenges that show their performance for a wide range of problems. For all the challenges tested here, parametric matrix models produce accurate results within an efficient and interpretable computational framework that allows for input feature extrapolation.
Authors: Alessandro Bombini, Fernando Garc\'ia-Avello Bof\'ias, Caterina Bracci, Michele Ginolfi, Chiara Ruberto
Abstract: Extended Vision techniques are ubiquitous in physics. However, the data cubes steaming from such analysis often pose a challenge in their interpretation, due to the intrinsic difficulty in discerning the relevant information from the spectra composing the data cube. Furthermore, the huge dimensionality of data cube spectra poses a complex task in its statistical interpretation; nevertheless, this complexity contains a massive amount of statistical information that can be exploited in an unsupervised manner to outline some essential properties of the case study at hand, e.g.~it is possible to obtain an image segmentation via (deep) clustering of data-cube's spectra, performed in a suitably defined low-dimensional embedding space. To tackle this topic, we explore the possibility of applying unsupervised clustering methods in encoded space, i.e. perform deep clustering on the spectral properties of datacube pixels. A statistical dimensional reduction is performed by an ad hoc trained (Variational) AutoEncoder, in charge of mapping spectra into lower dimensional metric spaces, while the clustering process is performed by a (learnable) iterative K-Means clustering algorithm. We apply this technique to two different use cases, of different physical origins: a set of Macro mapping X-Ray Fluorescence (MA-XRF) synthetic data on pictorial artworks, and a dataset of simulated astrophysical observations.
Authors: Bharat Runwal, Tejaswini Pedapati, Pin-Yu Chen
Abstract: Pretrained Language Models (PLMs) have become the de facto starting point for fine-tuning on downstream tasks. However, as model sizes continue to increase, traditional fine-tuning of all the parameters becomes challenging. To address this, parameter-efficient fine-tuning (PEFT) methods have gained popularity as a means to adapt PLMs effectively. In parallel, recent studies have revealed the presence of activation sparsity within the intermediate outputs of the multilayer perceptron (MLP) blocks in transformers. Low activation density enables efficient model inference on sparsity-aware hardware. Building upon this insight, in this work, we propose a novel density loss that encourages higher activation sparsity (equivalently, lower activation density) in the pre-trained models. We demonstrate the effectiveness of our approach by utilizing mainstream PEFT techniques, including QLoRA, LoRA, Adapter, and Prompt/Prefix Tuning, to facilitate efficient model adaptation across diverse downstream tasks. Experiments show that our proposed method, \textbf{DEFT} (Density-Efficient Fine-Tuning), can consistently reduce activation density by up to \textbf{44.94\%} on RoBERTa$_\mathrm{Large}$ and by \textbf{53.19\%} (encoder density) and \textbf{90.60\%} (decoder density) on Flan-T5$_\mathrm{XXL}$ (\textbf{11B}) compared to PEFT, using GLUE and QA (SQuAD) benchmarks respectively. We also introduce \textbf{ADA-DEFT}, an adaptive variant of our DEFT approach, which achieves significant memory and runtime savings during inference. For instance, ADA-DEFT reduces runtime by \textbf{8.79\%}and memory usage by \textbf{17.46\%} in Flan-T5$_\mathrm{XL}$, and by \textbf{2.79\%} and \textbf{2.54\%} respectively in Flan-T5$_\mathrm{XXL}$. Additionally, we showcase that DEFT works complementarily with quantized and pruned models.
Authors: Sergio Calvo-Ordonez, Matthieu Meunier, Francesco Piatti, Yuantao Shi
Abstract: In this paper, we present Partially Stochastic Infinitely Deep Bayesian Neural Networks, a novel family of architectures that integrates partial stochasticity into the framework of infinitely deep neural networks. Our new class of architectures is designed to improve the computational efficiency of existing architectures at training and inference time. To do this, we leverage the advantages of partial stochasticity in the infinite-depth limit which include the benefits of full stochasticity e.g. robustness, uncertainty quantification, and memory efficiency, whilst improving their limitations around computational complexity. We present a variety of architectural configurations, offering flexibility in network design including different methods for weight partition. We also provide mathematical guarantees on the expressivity of our models by establishing that our network family qualifies as Universal Conditional Distribution Approximators. Lastly, empirical evaluations across multiple tasks show that our proposed architectures achieve better downstream task performance and uncertainty quantification than their counterparts while being significantly more efficient. The code can be found at \url{https://github.com/Sergio20f/part_stoch_inf_deep}
Authors: Zongbo Han, Yifeng Yang, Changqing Zhang, Linjun Zhang, Joey Tianyi Zhou, Qinghua Hu
Abstract: Miscalibration in deep learning refers to there is a discrepancy between the predicted confidence and performance. This problem usually arises due to the overfitting problem, which is characterized by learning everything presented in the training set, resulting in overconfident predictions during testing. Existing methods typically address overfitting and mitigate the miscalibration by adding a maximum-entropy regularizer to the objective function. The objective can be understood as seeking a model that fits the ground-truth labels by increasing the confidence while also maximizing the entropy of predicted probabilities by decreasing the confidence. However, previous methods lack clear guidance on confidence adjustment, leading to conflicting objectives (increasing but also decreasing confidence). Therefore, we introduce a method called Dynamic Regularization (DReg), which aims to learn what should be learned during training thereby circumventing the confidence adjusting trade-off. At a high level, DReg aims to obtain a more reliable model capable of acknowledging what it knows and does not know. Specifically, DReg effectively fits the labels for in-distribution samples (samples that should be learned) while applying regularization dynamically to samples beyond model capabilities (e.g., outliers), thereby obtaining a robust calibrated model especially on the samples beyond model capabilities. Both theoretical and empirical analyses sufficiently demonstrate the superiority of DReg compared with previous methods.
Authors: Sijia Liu, Yuanshun Yao, Jinghan Jia, Stephen Casper, Nathalie Baracaldo, Peter Hase, Yuguang Yao, Chris Yuhao Liu, Xiaojun Xu, Hang Li, Kush R. Varshney, Mohit Bansal, Sanmi Koyejo, Yang Liu
Abstract: We explore machine unlearning (MU) in the domain of large language models (LLMs), referred to as LLM unlearning. This initiative aims to eliminate undesirable data influence (e.g., sensitive or illegal information) and the associated model capabilities, while maintaining the integrity of essential knowledge generation and not affecting causally unrelated information. We envision LLM unlearning becoming a pivotal element in the life-cycle management of LLMs, potentially standing as an essential foundation for developing generative AI that is not only safe, secure, and trustworthy, but also resource-efficient without the need of full retraining. We navigate the unlearning landscape in LLMs from conceptual formulation, methodologies, metrics, and applications. In particular, we highlight the often-overlooked aspects of existing LLM unlearning research, e.g., unlearning scope, data-model interaction, and multifaceted efficacy assessment. We also draw connections between LLM unlearning and related areas such as model editing, influence functions, model explanation, adversarial training, and reinforcement learning. Furthermore, we outline an effective assessment framework for LLM unlearning and explore its applications in copyright and privacy safeguards and sociotechnical harm reduction.
Authors: Yihan Du, Anna Winnicki, Gal Dalal, Shie Mannor, R. Srikant
Abstract: Reinforcement Learning from Human Feedback (RLHF) has achieved impressive empirical successes while relying on a small amount of human feedback. However, there is limited theoretical justification for this phenomenon. Additionally, most recent studies focus on value-based algorithms despite the recent empirical successes of policy-based algorithms. In this work, we consider an RLHF algorithm based on policy optimization (PO-RLHF). The algorithm is based on the popular Policy Cover-Policy Gradient (PC-PG) algorithm, which assumes knowledge of the reward function. In PO-RLHF, knowledge of the reward function is not assumed, and the algorithm uses trajectory-based comparison feedback to infer the reward function. We provide performance bounds for PO-RLHF with low query complexity, which provides insight into why a small amount of human feedback may be sufficient to achieve good performance with RLHF. A key novelty is a trajectory-level elliptical potential analysis, which bounds the reward estimation error when comparison feedback (rather than numerical reward observation) is given. We provide and analyze algorithms PG-RLHF and NN-PG-RLHF for two settings: linear and neural function approximation, respectively.
Authors: Jonas Beck, Nathanael Bosch, Michael Deistler, Kyra L. Kadhim, Jakob H. Macke, Philipp Hennig, Philipp Berens
Abstract: Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would allow for gradient-based parameter optimization, the nonlinear dynamics of ODEs often lead to many local minima and extreme sensitivity to initial conditions. We therefore propose diffusion tempering, a novel regularization technique for probabilistic numerical methods which improves convergence of gradient-based parameter optimization in ODEs. By iteratively reducing a noise parameter of the probabilistic integrator, the proposed method converges more reliably to the true parameters. We demonstrate that our method is effective for dynamical systems of different complexity and show that it obtains reliable parameter estimates for a Hodgkin-Huxley model with a practically relevant number of parameters.
Authors: Alessandro Daniele, Tommaso Campari, Sagar Malhotra, Luciano Serafini
Abstract: Deep Learning (DL) techniques have achieved remarkable successes in recent years. However, their ability to generalize and execute reasoning tasks remains a challenge. A potential solution to this issue is Neuro-Symbolic Integration (NeSy), where neural approaches are combined with symbolic reasoning. Most of these methods exploit a neural network to map perceptions to symbols and a logical reasoner to predict the output of the downstream task. These methods exhibit superior generalization capacity compared to fully neural architectures. However, they suffer from several issues, including slow convergence, learning difficulties with complex perception tasks, and convergence to local minima. This paper proposes a simple yet effective method to ameliorate these problems. The key idea involves pretraining a neural model on the downstream task. Then, a NeSy model is trained on the same task via transfer learning, where the weights of the perceptual part are injected from the pretrained network. The key observation of our work is that the neural network fails to generalize only at the level of the symbolic part while being perfectly capable of learning the mapping from perceptions to symbols. We have tested our training strategy on various SOTA NeSy methods and datasets, demonstrating consistent improvements in the aforementioned problems.
Authors: Lu Ye, Ze Tao, Yong Huang, Yang Li
Abstract: Self-attention is an essential component of large language models (LLM) but a significant source of inference latency for long sequences. In multi-tenant LLM serving scenarios, the compute and memory operation cost of self-attention can be optimized by using the probability that multiple LLM requests have shared system prompts in prefixes. In this paper, we introduce ChunkAttention, a prefix-aware self-attention module that can detect matching prompt prefixes across multiple requests and share their key/value tensors in memory at runtime to improve the memory utilization of KV cache. This is achieved by breaking monolithic key/value tensors into smaller chunks and structuring them into the auxiliary prefix tree. Consequently, on top of the prefix-tree based KV cache, we design an efficient self-attention kernel, where a two-phase partition algorithm is implemented to improve the data locality during self-attention computation in the presence of shared system prompts. Experiments show that ChunkAttention can speed up the self-attention kernel by 3.2-4.8$\times$ compared to the start-of-the-art implementation, with the length of the system prompt ranging from 1024 to 4096.
Authors: Shubham Ugare, Tarun Suresh, Hangoo Kang, Sasa Misailovic, Gagandeep Singh
Abstract: LLMs are widely used in complex AI applications. These applications underscore the need for LLM outputs to adhere to a specific format, for their integration with other components in the systems. Typically the format rules e.g., for data serialization formats such as JSON, YAML, or Code in Programming Language are expressed as context-free grammar (CFG). Due to the hallucinations and unreliability of LLMs, instructing LLMs to adhere to specified syntax becomes an increasingly important challenge. We present SynCode, a novel framework for efficient and general syntactical decoding with LLMs, to address this challenge. SynCode ensures soundness and completeness with respect to the CFG of a formal language, effectively retaining valid tokens while filtering out invalid ones. SynCode uses an offline-constructed, efficient lookup table, the DFA mask store, derived from the DFA of the language's grammar for efficient generation. SynCode seamlessly integrates with any language defined by CFG, as evidenced by experiments focusing on generating JSON, Python, and Go outputs. Our experiments evaluating the effectiveness of SynCode for JSON generation demonstrate that SynCode eliminates all syntax errors and significantly outperforms state-of-the-art baselines. Furthermore, our results underscore how SynCode significantly reduces 96.07% of syntax errors in generated Python and Go code, showcasing its substantial impact on enhancing syntactical precision in LLM generation. Our code is available at https://github.com/uiuc-focal-lab/syncode
Authors: Marcel Hussing, Claas Voelcker, Igor Gilitschenski, Amir-massoud Farahmand, Eric Eaton
Abstract: We show that deep reinforcement learning algorithms can retain their ability to learn without resetting network parameters in settings where the number of gradient updates greatly exceeds the number of environment samples by combatting value function divergence. Under large update-to-data ratios, a recent study by Nikishin et al. (2022) suggested the emergence of a primacy bias, in which agents overfit early interactions and downplay later experience, impairing their ability to learn. In this work, we investigate the phenomena leading to the primacy bias. We inspect the early stages of training that were conjectured to cause the failure to learn and find that one fundamental challenge is a long-standing acquaintance: value function divergence. Overinflated Q-values are found not only on out-of-distribution but also in-distribution data and can be linked to overestimation on unseen action prediction propelled by optimizer momentum. We employ a simple unit-ball normalization that enables learning under large update ratios, show its efficacy on the widely used dm_control suite, and obtain strong performance on the challenging dog tasks, competitive with model-based approaches. Our results question, in parts, the prior explanation for sub-optimal learning due to overfitting early data.
Authors: Anh Bui, Khanh Doan, Trung Le, Paul Montague, Tamas Abraham, Dinh Phung
Abstract: Diffusion models have shown remarkable capability in generating visually impressive content from textual descriptions. However, these models are trained on vast internet data, much of which contains undesirable elements such as sensitive content, copyrighted material, and unethical or harmful concepts. Therefore, beyond generating high-quality content, it is crucial to ensure these models do not propagate these undesirable elements. To address this issue, we propose a novel method to remove undesirable concepts from text-to-image diffusion models by incorporating a learnable prompt into the cross-attention module. This learnable prompt acts as additional memory, capturing the knowledge of undesirable concepts and reducing their dependency on the model parameters and corresponding textual inputs. By transferring this knowledge to the prompt, erasing undesirable concepts becomes more stable and has minimal negative impact on other concepts. We demonstrate the effectiveness of our method on the Stable Diffusion model, showcasing its superiority over state-of-the-art erasure methods in removing undesirable content while preserving unrelated elements.
Authors: Junhua Liu, Justin Albrethsen, Lincoln Goh, David Yau, Kwan Hui Lim
Abstract: Resource allocation in tactical ad-hoc networks presents unique challenges due to their dynamic and multi-hop nature. Accurate prediction of future network connectivity is essential for effective resource allocation in such environments. In this paper, we introduce the Spatial-Temporal Graph Encoder-Decoder (STGED) framework for Tactical Communication Networks that leverages both spatial and temporal features of network states to learn latent tactical behaviors effectively. STGED hierarchically utilizes graph-based attention mechanism to spatially encode a series of communication network states, leverages a recurrent neural network to temporally encode the evolution of states, and a fully-connected feed-forward network to decode the connectivity in the future state. Through extensive experiments, we demonstrate that STGED consistently outperforms baseline models by large margins across different time-steps input, achieving an accuracy of up to 99.2\% for the future state prediction task of tactical communication networks.
Authors: Adam Karvonen
Abstract: Language models have shown unprecedented capabilities, sparking debate over the source of their performance. Is it merely the outcome of learning syntactic patterns and surface level statistics, or do they extract semantics and a world model from the text? Prior work by Li et al. investigated this by training a GPT model on synthetic, randomly generated Othello games and found that the model learned an internal representation of the board state. We extend this work into the more complex domain of chess, training on real games and investigating our model's internal representations using linear probes and contrastive activations. The model is given no a priori knowledge of the game and is solely trained on next character prediction, yet we find evidence of internal representations of board state. We validate these internal representations by using them to make interventions on the model's activations and edit its internal board state. Unlike Li et al's prior synthetic dataset approach, our analysis finds that the model also learns to estimate latent variables like player skill to better predict the next character. We derive a player skill vector and add it to the model, improving the model's win rate by up to 2.6 times.
Authors: Khac-Hoang Ngo, Johan \"Ostman, Giuseppe Durisi, Alexandre Graell i Amat
Abstract: Secure aggregation (SecAgg) is a commonly-used privacy-enhancing mechanism in federated learning, affording the server access only to the aggregate of model updates while safeguarding the confidentiality of individual updates. Despite widespread claims regarding SecAgg's privacy-preserving capabilities, a formal analysis of its privacy is lacking, making such presumptions unjustified. In this paper, we delve into the privacy implications of SecAgg by treating it as a local differential privacy (LDP) mechanism for each local update. We design a simple attack wherein an adversarial server seeks to discern which update vector a client submitted, out of two possible ones, in a single training round of federated learning under SecAgg. By conducting privacy auditing, we assess the success probability of this attack and quantify the LDP guarantees provided by SecAgg. Our numerical results unveil that, contrary to prevailing claims, SecAgg offers weak privacy against membership inference attacks even in a single training round. Indeed, it is difficult to hide a local update by adding other independent local updates when the updates are of high dimension. Our findings underscore the imperative for additional privacy-enhancing mechanisms, such as noise injection, in federated learning.
Authors: Michael Hanna, Sandro Pezzelle, Yonatan Belinkov
Abstract: Many recent language model (LM) interpretability studies have adopted the circuits framework, which aims to find the minimal computational subgraph, or circuit, that explains LM behavior on a given task. Most studies determine which edges belong in a LM's circuit by performing causal interventions on each edge independently, but this scales poorly with model size. Edge attribution patching (EAP), gradient-based approximation to interventions, has emerged as a scalable but imperfect solution to this problem. In this paper, we introduce a new method - EAP with integrated gradients (EAP-IG) - that aims to better maintain a core property of circuits: faithfulness. A circuit is faithful if all model edges outside the circuit can be ablated without changing the model's performance on the task; faithfulness is what justifies studying circuits, rather than the full model. Our experiments demonstrate that circuits found using EAP are less faithful than those found using EAP-IG, even though both have high node overlap with circuits found previously using causal interventions. We conclude more generally that when using circuits to compare the mechanisms models use to solve tasks, faithfulness, not overlap, is what should be measured.
Authors: Michael Chertkov
Abstract: The paper reflects on the future role of AI in scientific research, with a special focus on turbulence studies, and examines the evolution of AI, particularly through Diffusion Models rooted in non-equilibrium statistical mechanics. It underscores the significant impact of AI on advancing reduced, Lagrangian models of turbulence through innovative use of deep neural networks. Additionally, the paper reviews various other AI applications in turbulence research and outlines potential challenges and opportunities in the concurrent advancement of AI and statistical hydrodynamics. This discussion sets the stage for a future where AI and turbulence research are intricately intertwined, leading to more profound insights and advancements in both fields.
Authors: Nicol\`o Felicioni, Lucas Maystre, Sina Ghiassian, Kamil Ciosek
Abstract: We investigate the role of uncertainty in decision-making problems with natural language as input. For such tasks, using Large Language Models as agents has become the norm. However, none of the recent approaches employ any additional phase for estimating the uncertainty the agent has about the world during the decision-making task. We focus on a fundamental decision-making framework with natural language as input, which is the one of contextual bandits, where the context information consists of text. As a representative of the approaches with no uncertainty estimation, we consider an LLM bandit with a greedy policy, which picks the action corresponding to the largest predicted reward. We compare this baseline to LLM bandits that make active use of uncertainty estimation by integrating the uncertainty in a Thompson Sampling policy. We employ different techniques for uncertainty estimation, such as Laplace Approximation, Dropout, and Epinets. We empirically show on real-world data that the greedy policy performs worse than the Thompson Sampling policies. These findings suggest that, while overlooked in the LLM literature, uncertainty plays a fundamental role in bandit tasks with LLMs.
Authors: Chenwei Xu, Yu-Chao Huang, Jerry Yao-Chieh Hu, Weijian Li, Ammar Gilani, Hsi-Sheng Goan, Han Liu
Abstract: We introduce the \textbf{B}i-Directional \textbf{S}parse \textbf{Hop}field Network (\textbf{BiSHop}), a novel end-to-end framework for deep tabular learning. BiSHop handles the two major challenges of deep tabular learning: non-rotationally invariant data structure and feature sparsity in tabular data. Our key motivation comes from the recent established connection between associative memory and attention mechanisms. Consequently, BiSHop uses a dual-component approach, sequentially processing data both column-wise and row-wise through two interconnected directional learning modules. Computationally, these modules house layers of generalized sparse modern Hopfield layers, a sparse extension of the modern Hopfield model with adaptable sparsity. Methodologically, BiSHop facilitates multi-scale representation learning, capturing both intra-feature and inter-feature interactions, with adaptive sparsity at each scale. Empirically, through experiments on diverse real-world datasets, we demonstrate that BiSHop surpasses current SOTA methods with significantly less HPO runs, marking it a robust solution for deep tabular learning.
Authors: Manuel Gloeckler, Michael Deistler, Christian Weilbach, Frank Wood, Jakob H. Macke
Abstract: Amortized Bayesian inference trains neural networks to solve stochastic inference problems using model simulations, thereby making it possible to rapidly perform Bayesian inference for any newly observed data. However, current simulation-based amortized inference methods are simulation-hungry and inflexible: They require the specification of a fixed parametric prior, simulator, and inference tasks ahead of time. Here, we present a new amortized inference method -- the Simformer -- which overcomes these limitations. By training a probabilistic diffusion model with transformer architectures, the Simformer outperforms current state-of-the-art amortized inference approaches on benchmark tasks and is substantially more flexible: It can be applied to models with function-valued parameters, it can handle inference scenarios with missing or unstructured data, and it can sample arbitrary conditionals of the joint distribution of parameters and data, including both posterior and likelihood. We showcase the performance and flexibility of the Simformer on simulators from ecology, epidemiology, and neuroscience, and demonstrate that it opens up new possibilities and application domains for amortized Bayesian inference on simulation-based models.
Authors: Johannes Hugger, Virginie Uhlmann
Abstract: Soft targets combined with the cross-entropy loss have shown to improve generalization performance of deep neural networks on supervised classification tasks. The standard cross-entropy loss however assumes data to be categorically distributed, which may often not be the case in practice. In contrast, InfoNCE does not rely on such an explicit assumption but instead implicitly estimates the true conditional through negative sampling. Unfortunately, it cannot be combined with soft targets in its standard formulation, hindering its use in combination with sophisticated training strategies. In this paper, we address this limitation by proposing a loss function that is compatible with probabilistic targets. Our new soft target InfoNCE loss is conceptually simple, efficient to compute, and can be motivated through the framework of noise contrastive estimation. Using a toy example, we demonstrate shortcomings of the categorical distribution assumption of cross-entropy, and discuss implications of sampling from soft distributions. We observe that soft target InfoNCE performs on par with strong soft target cross-entropy baselines and outperforms hard target NLL and InfoNCE losses on popular benchmarks, including ImageNet. Finally, we provide a simple implementation of our loss, geared towards supervised classification and fully compatible with deep classification models trained with cross-entropy.
Authors: Yoonsoo Nam, Nayara Fonseca, Seok Hyeong Lee, Chris Mingard, Ard A. Louis
Abstract: Deep learning models can exhibit what appears to be a sudden ability to solve a new problem as training time, training data, or model size increases, a phenomenon known as emergence. In this paper, we present a framework where each new ability (a skill) is represented as a basis function. We solve a simple multi-linear model in this skill-basis, finding analytic expressions for the emergence of new skills, as well as for scaling laws of the loss with training time, data size, model size, and optimal compute ($C$). We compare our detailed calculations to direct simulations of a two-layer neural network trained on multitask sparse parity, where the tasks in the dataset are distributed according to a power-law. Our simple model captures, using a single fit parameter, the sigmoidal emergence of multiple new skills as training time, data size or model size increases in the neural network.
Authors: Dongyuan Li, Zhen Wang, Yankai Chen, Renhe Jiang, Weiping Ding, Manabu Okumura
Abstract: Active learning seeks to achieve strong performance with fewer training samples. It does this by iteratively asking an oracle to label new selected samples in a human-in-the-loop manner. This technique has gained increasing popularity due to its broad applicability, yet its survey papers, especially for deep learning-based active learning (DAL), remain scarce. Therefore, we conduct an advanced and comprehensive survey on DAL. We first introduce reviewed paper collection and filtering. Second, we formally define the DAL task and summarize the most influential baselines and widely used datasets. Third, we systematically provide a taxonomy of DAL methods from five perspectives, including annotation types, query strategies, deep model architectures, learning paradigms, and training processes, and objectively analyze their strengths and weaknesses. Then, we comprehensively summarize main applications of DAL in Natural Language Processing (NLP), Computer Vision (CV), and Data Mining (DM), etc. Finally, we discuss challenges and perspectives after a detailed analysis of current studies. This work aims to serve as a useful and quick guide for researchers in overcoming difficulties in DAL. We hope that this survey will spur further progress in this burgeoning field.
Authors: Seojin Kim, Jaehyun Nam, Sihyun Yu, Younghoon Shin, Jinwoo Shin
Abstract: Developing an effective molecular generation framework even with a limited number of molecules is often important for its practical deployment, e.g., drug discovery, since acquiring task-related molecular data requires expensive and time-consuming experimental costs. To tackle this issue, we introduce Hierarchical textual Inversion for Molecular generation (HI-Mol), a novel data-efficient molecular generation method. HI-Mol is inspired by the importance of hierarchical information, e.g., both coarse- and fine-grained features, in understanding the molecule distribution. We propose to use multi-level embeddings to reflect such hierarchical features based on the adoption of the recent textual inversion technique in the visual domain, which achieves data-efficient image generation. Compared to the conventional textual inversion method in the image domain using a single-level token embedding, our multi-level token embeddings allow the model to effectively learn the underlying low-shot molecule distribution. We then generate molecules based on the interpolation of the multi-level token embeddings. Extensive experiments demonstrate the superiority of HI-Mol with notable data-efficiency. For instance, on QM9, HI-Mol outperforms the prior state-of-the-art method with 50x less training data. We also show the effectiveness of molecules generated by HI-Mol in low-shot molecular property prediction.
Authors: Valdemar \v{S}v\'abensk\'y, M\'elina Verger, Maria Mercedes T. Rodrigo, Clarence James G. Monterozo, Ryan S. Baker, Miguel Zenon Nicanor Lerias Saavedra, S\'ebastien Lall\'e, Atsushi Shimada
Abstract: Algorithmic bias is a major issue in machine learning models in educational contexts. However, it has not yet been studied thoroughly in Asian learning contexts, and only limited work has considered algorithmic bias based on regional (sub-national) background. As a step towards addressing this gap, this paper examines the population of 5,986 students at a large university in the Philippines, investigating algorithmic bias based on students' regional background. The university used the Canvas learning management system (LMS) in its online courses across a broad range of domains. Over the period of three semesters, we collected 48.7 million log records of the students' activity in Canvas. We used these logs to train binary classification models that predict student grades from the LMS activity. The best-performing model reached AUC of 0.75 and weighted F1-score of 0.79. Subsequently, we examined the data for bias based on students' region. Evaluation using three metrics: AUC, weighted F1-score, and MADD showed consistent results across all demographic groups. Thus, no unfairness was observed against a particular student group in the grade predictions.
Authors: Hans-Peter Beise
Abstract: We leverage the framework of hyperplane arrangements to analyze potential regions of (stable) fixed points. We provide an upper bound on the number of fixed points for multi-layer neural networks equipped with piecewise linear (PWL) activation functions with arbitrary many linear pieces. The theoretical optimality of the exponential growth in the number of layers of the latter bound is shown. Specifically, we also derive a sharper upper bound on the number of stable fixed points for one-hidden-layer networks with hard tanh activation.
Authors: Akanksha Bindal, Sudarshan Ramanujam, Dave Golland, TJ Hazen, Tina Jiang, Fengyu Zhang, Peng Yan
Abstract: In enhancing LinkedIn core content recommendation models, a significant challenge lies in improving their semantic understanding capabilities. This paper addresses the problem by leveraging multi-task learning, a method that has shown promise in various domains. We fine-tune a pre-trained, transformer-based LLM using multi-task contrastive learning with data from a diverse set of semantic labeling tasks. We observe positive transfer, leading to superior performance across all tasks when compared to training independently on each. Our model outperforms the baseline on zero shot learning and offers improved multilingual support, highlighting its potential for broader application. The specialized content embeddings produced by our model outperform generalized embeddings offered by OpenAI on Linkedin dataset and tasks. This work provides a robust foundation for vertical teams across LinkedIn to customize and fine-tune the LLM to their specific applications. Our work offers insights and best practices for the field to build on.
Authors: Juan D. Pinto, Luc Paquette
Abstract: The challenge of creating interpretable models has been taken up by two main research communities: ML researchers primarily focused on lower-level explainability methods that suit the needs of engineers, and HCI researchers who have more heavily emphasized user-centered approaches often based on participatory design methods. This paper reviews how these communities have evaluated interpretability, identifying overlaps and semantic misalignments. We propose moving towards a unified framework of evaluation criteria and lay the groundwork for such a framework by articulating the relationships between existing criteria. We argue that explanations serve as mediators between models and stakeholders, whether for intrinsically interpretable models or opaque black-box models analyzed via post-hoc techniques. We further argue that useful explanations require both faithfulness and intelligibility. Explanation plausibility is a prerequisite for intelligibility, while stability is a prerequisite for explanation faithfulness. We illustrate these criteria, as well as specific evaluation methods, using examples from an ongoing study of an interpretable neural network for predicting a particular learner behavior.
Authors: Jiaxi Hu, Disen Lan, Ziyu Zhou, Qingsong Wen, Yuxuan Liang
Abstract: State Space Models (SSMs) have emerged as a potent tool in sequence modeling tasks in recent years. These models approximate continuous systems using a set of basis functions and discretize them to handle input data, making them well-suited for modeling time series data collected at specific frequencies from continuous systems. Despite its potential, the application of SSMs in time series forecasting remains underexplored, with most existing models treating SSMs as a black box for capturing temporal or channel dependencies. To address this gap, this paper proposes a novel theoretical framework termed Dynamic Spectral Operator, offering more intuitive and general guidance on applying SSMs to time series data. Building upon our theory, we introduce Time-SSM, a novel SSM-based foundation model with only one-seventh of the parameters compared to Mamba. Various experiments validate both our theoretical framework and the superior performance of Time-SSM.
Authors: Xinting Huang, Madhur Panwar, Navin Goyal, Michael Hahn
Abstract: The inner workings of neural networks can be better understood if we can fully decipher the information encoded in neural activations. In this paper, we argue that this information is embodied by the subset of inputs that give rise to similar activations. Computing such subsets is nontrivial as the input space is exponentially large. We propose InversionView, which allows us to practically inspect this subset by sampling from a trained decoder model conditioned on activations. This helps uncover the information content of activation vectors, and facilitates understanding of the algorithms implemented by transformer models. We present four case studies where we investigate models ranging from small transformers to GPT-2. In these studies, we demonstrate the characteristics of our method, show the distinctive advantages it offers, and provide causally verified circuits.
Authors: Fatemeh Nassajian Mojarrad, Lorenzo Bini, Thomas Matthes, St\'ephane Marchand-Maillet
Abstract: In the complex landscape of hematologic samples such as peripheral blood or bone marrow derived from flow cytometry (FC) data, cell-level prediction presents profound challenges. This work explores injecting hierarchical prior knowledge into graph neural networks (GNNs) for single-cell multi-class classification of tabular cellular data. By representing the data as graphs and encoding hierarchical relationships between classes, we propose our hierarchical plug-in method to be applied to several GNN models, namely, FCHC-GNN, and effectively designed to capture neighborhood information crucial for single-cell FC domain. Extensive experiments on our cohort of 19 distinct patients, demonstrate that incorporating hierarchical biological constraints boosts performance significantly across multiple metrics compared to baseline GNNs without such priors. The proposed approach highlights the importance of structured inductive biases for gaining improved generalization in complex biological prediction tasks.
Authors: Tenglong Liu, Yang Li, Yixing Lan, Hao Gao, Wei Pan, Xin Xu
Abstract: In offline reinforcement learning, the challenge of out-of-distribution (OOD) is pronounced. To address this, existing methods often constrain the learned policy through policy regularization. However, these methods often suffer from the issue of unnecessary conservativeness, hampering policy improvement. This occurs due to the indiscriminate use of all actions from the behavior policy that generates the offline dataset as constraints. The problem becomes particularly noticeable when the quality of the dataset is suboptimal. Thus, we propose Adaptive Advantage-guided Policy Regularization (A2PR), obtaining high-advantage actions from an augmented behavior policy combined with VAE to guide the learned policy. A2PR can select high-advantage actions that differ from those present in the dataset, while still effectively maintaining conservatism from OOD actions. This is achieved by harnessing the VAE capacity to generate samples matching the distribution of the data points. We theoretically prove that the improvement of the behavior policy is guaranteed. Besides, it effectively mitigates value overestimation with a bounded performance gap. Empirically, we conduct a series of experiments on the D4RL benchmark, where A2PR demonstrates state-of-the-art performance. Furthermore, experimental results on additional suboptimal mixed datasets reveal that A2PR exhibits superior performance. Code is available at https://github.com/ltlhuuu/A2PR.
Authors: M. Sajid, M. Tanveer, P. N. Suganthan
Abstract: The ensemble deep random vector functional link (edRVFL) neural network has demonstrated the ability to address the limitations of conventional artificial neural networks. However, since edRVFL generates features for its hidden layers through random projection, it can potentially lose intricate features or fail to capture certain non-linear features in its base models (hidden layers). To enhance the feature learning capabilities of edRVFL, we propose a novel edRVFL based on fuzzy inference system (edRVFL-FIS). The proposed edRVFL-FIS leverages the capabilities of two emerging domains, namely deep learning and ensemble approaches, with the intrinsic IF-THEN properties of fuzzy inference system (FIS) and produces rich feature representation to train the ensemble model. Each base model of the proposed edRVFL-FIS encompasses two key feature augmentation components: a) unsupervised fuzzy layer features and b) supervised defuzzified features. The edRVFL-FIS model incorporates diverse clustering methods (R-means, K-means, Fuzzy C-means) to establish fuzzy layer rules, resulting in three model variations (edRVFL-FIS-R, edRVFL-FIS-K, edRVFL-FIS-C) with distinct fuzzified features and defuzzified features. Within the framework of edRVFL-FIS, each base model utilizes the original, hidden layer and defuzzified features to make predictions. Experimental results, statistical tests, discussions and analyses conducted across UCI and NDC datasets consistently demonstrate the superior performance of all variations of the proposed edRVFL-FIS model over baseline models. The source codes of the proposed models are available at https://github.com/mtanveer1/edRVFL-FIS.
Authors: Marianna Nezhurina, Lucia Cipolina-Kun, Mehdi Cherti, Jenia Jitsev
Abstract: Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem (AIW problem) formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models show strong fluctuations across even slight problem variations that should not affect problem solving, also expressing strong overconfidence in the wrong solutions, often backed up by plausible sounding explanation-like confabulations. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs. Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW
Authors: Jiaxi Hu, Qingsong Wen, Sijie Ruan, Li Liu, Yuxuan Liang
Abstract: Recently, multivariate time series forecasting tasks have garnered increasing attention due to their significant practical applications, leading to the emergence of various deep forecasting models. However, real-world time series exhibit pronounced non-stationary distribution characteristics. These characteristics are not solely limited to time-varying statistical properties highlighted by non-stationary Transformer but also encompass three key aspects: nested periodicity, absence of periodic distributions, and hysteresis among time variables. In this paper, we begin by validating this theory through wavelet analysis and propose the Transformer-based TwinS model, which consists of three modules to address the non-stationary periodic distributions: Wavelet Convolution, Period-Aware Attention, and Channel-Temporal Mixed MLP. Specifically, The Wavelet Convolution models nested periods by scaling the convolution kernel size like wavelet transform. The Period-Aware Attention guides attention computation by generating period relevance scores through a convolutional sub-network. The Channel-Temporal Mixed MLP captures the overall relationships between time series through channel-time mixing learning. TwinS achieves SOTA performance compared to mainstream TS models, with a maximum improvement in MSE of 25.8\% over PatchTST.
Authors: Jan Hagnberger, Marimuthu Kalimuthu, Daniel Musekamp, Mathias Niepert
Abstract: Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity. Furthermore, all prevalent architectures for PDE solving lack at least one of several desirable properties of an ideal surrogate model, such as (i) generalization to PDE parameters not seen during training, (ii) spatial and temporal zero-shot super-resolution, (iii) continuous temporal extrapolation, (iv) support for 1D, 2D, and 3D PDEs, and (v) efficient inference for longer temporal rollouts. To address these limitations, we propose Vectorized Conditional Neural Fields (VCNeFs), which represent the solution of time-dependent PDEs as neural fields. Contrary to prior methods, however, VCNeFs compute, for a set of multiple spatio-temporal query points, their solutions in parallel and model their dependencies through attention mechanisms. Moreover, VCNeF can condition the neural field on both the initial conditions and the parameters of the PDEs. An extensive set of experiments demonstrates that VCNeFs are competitive with and often outperform existing ML-based surrogate models.
Authors: Alexander Pluska, Pascal Welke, Thomas G\"artner, Sagar Malhotra
Abstract: We present a logic based interpretable model for learning on graphs and an algorithm to distill this model from a Graph Neural Network (GNN). Recent results have shown connections between the expressivity of GNNs and the two-variable fragment of first-order logic with counting quantifiers (C2). We introduce a decision-tree based model which leverages an extension of C2 to distill interpretable logical classifiers from GNNs. We test our approach on multiple GNN architectures. The distilled models are interpretable, succinct, and attain similar accuracy to the underlying GNN. Furthermore, when the ground truth is expressible in C2, our approach outperforms the GNN.
Authors: Andy Arditi, Oscar Obeso, Aaquib Syed, Daniel Paleka, Nina Panickssery, Wes Gurnee, Neel Nanda
Abstract: Conversational large language models are fine-tuned for both instruction-following and safety, resulting in models that obey benign requests but refuse harmful ones. While this refusal behavior is widespread across chat models, its underlying mechanisms remain poorly understood. In this work, we show that refusal is mediated by a one-dimensional subspace, across 13 popular open-source chat models up to 72B parameters in size. Specifically, for each model, we find a single direction such that erasing this direction from the model's residual stream activations prevents it from refusing harmful instructions, while adding this direction elicits refusal on even harmless instructions. Leveraging this insight, we propose a novel white-box jailbreak method that surgically disables refusal with minimal effect on other capabilities. Finally, we mechanistically analyze how adversarial suffixes suppress propagation of the refusal-mediating direction. Our findings underscore the brittleness of current safety fine-tuning methods. More broadly, our work showcases how an understanding of model internals can be leveraged to develop practical methods for controlling model behavior.
Authors: Namjoon Suh, Yuning Yang, Din-Yin Hsieh, Qitong Luan, Shirong Xu, Shixiang Zhu, Guang Cheng
Abstract: In this paper, we leverage the power of latent diffusion models to generate synthetic time series tabular data. Along with the temporal and feature correlations, the heterogeneous nature of the feature in the table has been one of the main obstacles in time series tabular data modeling. We tackle this problem by combining the ideas of the variational auto-encoder (VAE) and the denoising diffusion probabilistic model (DDPM). Our model named as \texttt{TimeAutoDiff} has several key advantages including (1) Generality: the ability to handle the broad spectrum of time series tabular data from single to multi-sequence datasets; (2) Good fidelity and utility guarantees: numerical experiments on six publicly available datasets demonstrating significant improvements over state-of-the-art models in generating time series tabular data, across four metrics measuring fidelity and utility; (3) Fast sampling speed: entire time series data generation as opposed to the sequential data sampling schemes implemented in the existing diffusion-based models, eventually leading to significant improvements in sampling speed, (4) Entity conditional generation: the first implementation of conditional generation of multi-sequence time series tabular data with heterogenous features in the literature, enabling scenario exploration across multiple scientific and engineering domains. Codes are in preparation for release to the public, but available upon request.
Authors: Fu Feng, Yucheng Xie, Jing Wang, Xin Geng
Abstract: The expansion of model parameters underscores the significance of pre-trained models; however, the constraints encountered during model deployment necessitate models of variable sizes. Consequently, the traditional pre-training and fine-tuning paradigm fails to address the initialization problem when target models are incompatible with pre-trained models. We tackle this issue from a multitasking perspective and introduce \textbf{WAVE}, which incorporates a set of shared \textbf{W}eight templates for \textbf{A}daptive initialization of \textbf{V}ariable-siz\textbf{E}d Models. During initialization, target models will initialize the corresponding weight scalers tailored to their model size, which are sufficient to learn the connection rules of weight templates based on the Kronecker product from a limited amount of data. For the construction of the weight templates, WAVE utilizes the \textit{Learngene} framework, which structurally condenses common knowledge from ancestry models into weight templates as the learngenes through knowledge distillation. This process allows the integration of pre-trained models' knowledge into structured knowledge according to the rules of weight templates. We provide a comprehensive benchmark for the learngenes, and extensive experiments demonstrate the efficacy of WAVE. The results show that WAVE achieves state-of-the-art performance when initializing models with various depth and width, and even outperforms the direct pre-training of $n$ entire models, particularly for smaller models, saving approximately $n\times$ and $5\times$ in computational and storage resources, respectively. WAVE simultaneously achieves the most efficient knowledge transfer across a series of datasets, specifically achieving an average improvement of 1.8\% and 1.2\% on 7 downstream datasets.
Authors: Michael Canesche, Gaurav Verma, Fernando Magno Quintao Pereira
Abstract: Machine-learning models consist of kernels, which are algorithms applying operations on tensors -- data indexed by a linear combination of natural numbers. Examples of kernels include convolutions, transpositions, and vectorial products. There are many ways to implement a kernel. These implementations form the kernel's optimization space. Kernel scheduling is the problem of finding the best implementation, given an objective function -- typically execution speed. Kernel optimizers such as Ansor, Halide, and AutoTVM solve this problem via search heuristics, which combine two phases: exploration and exploitation. The first step evaluates many different kernel optimization spaces. The latter tries to improve the best implementations by investigating a kernel within the same space. For example, Ansor combines kernel generation through sketches for exploration and leverages an evolutionary algorithm to exploit the best sketches. In this work, we demonstrate the potential to reduce Ansor's search time while enhancing kernel quality by incorporating Droplet Search, an AutoTVM algorithm, into Ansor's exploration phase. The approach involves limiting the number of samples explored by Ansor, selecting the best, and exploiting it with a coordinate descent algorithm. By applying this approach to the first 300 kernels that Ansor generates, we usually obtain better kernels in less time than if we let Ansor analyze 10,000 kernels. This result has been replicated in 20 well-known deep-learning models (AlexNet, ResNet, VGG, DenseNet, etc.) running on four architectures: an AMD Ryzen 7 (x86), an NVIDIA A100 tensor core, an NVIDIA RTX 3080 GPU, and an ARM A64FX. A patch with this combined approach was approved in Ansor in February 2024. As evidence of the generality of this search methodology, a similar patch, achieving equally good results, was submitted to TVM's MetaSchedule in June 2024.
Authors: Mirco Ravanelli, Titouan Parcollet, Adel Moumen, Sylvain de Langen, Cem Subakan, Peter Plantinga, Yingzhi Wang, Pooneh Mousavi, Luca Della Libera, Artem Ploujnikov, Francesco Paissan, Davide Borra, Salah Zaiem, Zeyu Zhao, Shucong Zhang, Georgios Karakasidis, Sung-Lin Yeh, Aku Rouhe, Rudolf Braun, Florian Mai, Juan Zuluaga-Gomez, Seyed Mahed Mousavi, Andreas Nautsch, Xuechen Liu, Sangeet Sagar, Jarod Duret, Salima Mdhaffar, Gaelle Laperriere, Renato De Mori, Yannick Esteve
Abstract: SpeechBrain is an open-source Conversational AI toolkit based on PyTorch, focused particularly on speech processing tasks such as speech recognition, speech enhancement, speaker recognition, text-to-speech, and much more. It promotes transparency and replicability by releasing both the pre-trained models and the complete "recipes" of code and algorithms required for training them. This paper presents SpeechBrain 1.0, a significant milestone in the evolution of the toolkit, which now has over 200 recipes for speech, audio, and language processing tasks, and more than 100 models available on Hugging Face. SpeechBrain 1.0 introduces new technologies to support diverse learning modalities, Large Language Model (LLM) integration, and advanced decoding strategies, along with novel models, tasks, and modalities. It also includes a new benchmark repository, offering researchers a unified platform for evaluating models across diverse tasks
Authors: Shihao Shao, Haoran Geng, Qinghua Cui
Abstract: The Clebsch-Gordan Transform (CG transform) effectively encodes many-body interactions. Many studies have proven its accuracy in depicting atomic environments, although this comes with high computational needs. The computational burden of this challenge is hard to reduce due to the need for permutation equivariance, which limits the design space of the CG transform layer. We show that, implementing the CG transform layer on permutation-invariant inputs allows complete freedom in the design of this layer without affecting symmetry. Developing further on this premise, our idea is to create a CG transform layer that operates on permutation-invariant abstract edges generated from real edge information. We bring in group CG transform with sparse path, abstract edges shuffling, and attention enhancer to form a powerful and efficient CG transform layer. Our method, known as FreeCG, achieves State-of-The-Art (SoTA) results in force prediction for MD17, rMD17, MD22, and property prediction in QM9 datasets with notable enhancement. It introduces a novel paradigm for carrying out efficient and expressive CG transform in future geometric neural network designs.
Authors: Hannah Brown, Leon Lin, Kenji Kawaguchi, Michael Shieh
Abstract: When LLMs are deployed in sensitive, human-facing settings, it is crucial that they do not output unsafe, biased, or privacy-violating outputs. For this reason, models are both trained and instructed to refuse to answer unsafe prompts such as "Tell me how to build a bomb." We find that, despite these safeguards, it is possible to break model defenses simply by appending a space to the end of a model's input. In a study of eight open-source models, we demonstrate that this acts as a strong enough attack to cause the majority of models to generate harmful outputs with very high success rates. We examine the causes of this behavior, finding that the contexts in which single spaces occur in tokenized training data encourage models to generate lists when prompted, overriding training signals to refuse to answer unsafe requests. Our findings underscore the fragile state of current model alignment and promote the importance of developing more robust alignment methods. Code and data will be made available at https://github.com/Linlt-leon/self-eval.
Authors: Boyu Fan, Chenrui Wu, Xiang Su, Pan Hui
Abstract: Despite extensive research into data heterogeneity in federated learning (FL), system heterogeneity remains a significant yet often overlooked challenge. Traditional FL approaches typically assume homogeneous hardware resources across FL clients, implying that clients can train a global model within a comparable time frame. However, in practical FL systems, clients often have heterogeneous resources, which impacts their training capacity. This discrepancy underscores the importance of exploring model-heterogeneous FL, a paradigm allowing clients to train different models based on their resource capabilities. To address this challenge, we introduce FedTSA, a cluster-based two-stage aggregation method tailored for system heterogeneity in FL. FedTSA begins by clustering clients based on their capabilities, then performs a two-stage aggregation: conventional weight averaging for homogeneous models in Stage 1, and deep mutual learning with a diffusion model for aggregating heterogeneous models in Stage 2. Extensive experiments demonstrate that FedTSA not only outperforms the baselines but also explores various factors influencing model performance, validating FedTSA as a promising approach for model-heterogeneous FL.
Authors: Yuxuan Yan, Na Lu, Ruofan Yan
Abstract: Combining machine clustering with deep models has shown remarkable superiority in deep clustering. It modifies the data processing pipeline into two alternating phases: feature clustering and model training. However, such alternating schedule may lead to instability and computational burden issues. We propose a centerless clustering algorithm called Probability Aggregation Clustering (PAC) to proactively adapt deep learning technologies, enabling easy deployment in online deep clustering. PAC circumvents the cluster center and aligns the probability space and distribution space by formulating clustering as an optimization problem with a novel objective function. Based on the computation mechanism of the PAC, we propose a general online probability aggregation module to perform stable and flexible feature clustering over mini-batch data and further construct a deep visual clustering framework deep PAC (DPAC). Extensive experiments demonstrate that PAC has superior clustering robustness and performance and DPAC remarkably outperforms the state-of-the-art deep clustering methods.
Authors: Hangting Ye, Wei Fan, Xiaozhuang Song, Shun Zheng, He Zhao, Dandan Guo, Yi Chang
Abstract: Tabular data have been playing a mostly important role in diverse real-world fields, such as healthcare, engineering, finance, etc. With the recent success of deep learning, many tabular machine learning (ML) methods based on deep networks (e.g., Transformer, ResNet) have achieved competitive performance on tabular benchmarks. However, existing deep tabular ML methods suffer from the representation entanglement and localization, which largely hinders their prediction performance and leads to performance inconsistency on tabular tasks. To overcome these problems, we explore a novel direction of applying prototype learning for tabular ML and propose a prototype-based tabular representation learning framework, PTaRL, for tabular prediction tasks. The core idea of PTaRL is to construct prototype-based projection space (P-Space) and learn the disentangled representation around global data prototypes. Specifically, PTaRL mainly involves two stages: (i) Prototype Generation, that constructs global prototypes as the basis vectors of P-Space for representation, and (ii) Prototype Projection, that projects the data samples into P-Space and keeps the core global data information via Optimal Transport. Then, to further acquire the disentangled representations, we constrain PTaRL with two strategies: (i) to diversify the coordinates towards global prototypes of different representations within P-Space, we bring up a diversification constraint for representation calibration; (ii) to avoid prototype entanglement in P-Space, we introduce a matrix orthogonalization constraint to ensure the independence of global prototypes. Finally, we conduct extensive experiments in PTaRL coupled with state-of-the-art deep tabular ML models on various tabular benchmarks and the results have shown our consistent superiority.
Authors: Souradip Poddar, Youngmin Oh, Yao Lai, Hanqing Zhu, Bosun Hwang, David Z. Pan
Abstract: Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.
Authors: Jianzhe Xue (Sherman), Dongcheng Yuan (Sherman), Yu Sun (Sherman), Tianqi Zhang (Sherman), Wenchao Xu (Sherman), Haibo Zhou (Sherman), Xuemin (Sherman), Shen
Abstract: The growing number of connected vehicles offers an opportunity to leverage internet of vehicles (IoV) data for traffic state estimation (TSE) which plays a crucial role in intelligent transportation systems (ITS). By utilizing only a portion of IoV data instead of the entire dataset, the significant overheads associated with collecting and processing large amounts of data can be avoided. In this paper, we introduce a novel framework that utilizes sparse IoV data to achieve cost-effective TSE. Particularly, we propose a novel spatial-temporal attention model called the convolutional retentive network (CRNet) to improve the TSE accuracy by mining spatial-temporal traffic state correlations. The model employs the convolutional neural network (CNN) for spatial correlation aggregation and the retentive network (RetNet) based on the attention mechanism to extract temporal correlations. Extensive simulations on a real-world IoV dataset validate the advantage of the proposed TSE approach in achieving accurate TSE using sparse IoV data, demonstrating its cost effectiveness and practicality for real-world applications.
Authors: Jay Shah, Ganesh Bikshandi, Ying Zhang, Vijay Thakkar, Pradeep Ramani, Tri Dao
Abstract: Attention, as a core layer of the ubiquitous Transformer architecture, is the bottleneck for large language models and long-context applications. FlashAttention elaborated an approach to speed up attention on GPUs through minimizing memory reads/writes. However, it has yet to take advantage of new capabilities present in recent hardware, with FlashAttention-2 achieving only 35% utilization on the H100 GPU. We develop three main techniques to speed up attention on Hopper GPUs: exploiting asynchrony of the Tensor Cores and TMA to (1) overlap overall computation and data movement via warp-specialization and (2) interleave block-wise matmul and softmax operations, and (3) block quantization and incoherent processing that leverages hardware support for FP8 low-precision. We demonstrate that our method, FlashAttention-3, achieves speedup on H100 GPUs by 1.5-2.0$\times$ with FP16 reaching up to 740 TFLOPs/s (75% utilization), and with FP8 reaching close to 1.2 PFLOPs/s. We validate that FP8 FlashAttention-3 achieves 2.6$\times$ lower numerical error than a baseline FP8 attention.
Authors: Zhuoyuan Wang, Albert Chern, Yorie Nakahira
Abstract: Accurate estimate of long-term risk is critical for safe decision-making, but sampling from rare risk events and long-term trajectories can be prohibitively costly. Risk gradient can be used in many first-order techniques for learning and control methods, but gradient estimate is difficult to obtain using Monte Carlo (MC) methods because the infinitesimal divisor may significantly amplify sampling noise. Motivated by this gap, we propose an efficient method to evaluate long-term risk probabilities and their gradients using short-term samples without sufficient risk events. We first derive that four types of long-term risk probability are solutions of certain partial differential equations (PDEs). Then, we propose a physics-informed learning technique that integrates data and physics information (aforementioned PDEs). The physics information helps propagate information beyond available data and obtain provable generalization beyond available data, which in turn enables long-term risk to be estimated using short-term samples of safe events. Finally, we demonstrate in simulation that the proposed technique has improved sample efficiency, generalizes well to unseen regions, and adapts to changing system parameters.
Authors: Alexia Jolicoeur-Martineau, Aristide Baratin, Kisoo Kwon, Boris Knyazev, Yan Zhang
Abstract: Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) is a promising approach to ensure the generation of valid molecules, outperforming state-of-the-art SMILES and graph diffusion models for unconditional generation. In the real world, we want to be able to generate molecules conditional on one or multiple desired properties rather than unconditionally. Thus, in this work, we extend STGG to multi-property-conditional generation. Our approach, STGG+, incorporates a modern Transformer architecture, random masking of properties during training (enabling conditioning on any subset of properties and classifier-free guidance), an auxiliary property-prediction loss (allowing the model to self-criticize molecules and select the best ones), and other improvements. We show that STGG+ achieves state-of-the-art performance on in-distribution and out-of-distribution conditional generation, and reward maximization.
Authors: Fei Wang, Xilei Wu, Xin Wang, Han Ding, Jingang Shi, Jinsong Han, Dong Huang
Abstract: Hand hygiene is one of the most efficient daily actions to prevent infectious diseases, such as Influenza, Malaria, and skin infections. We have been suggested to wash our hands under professional guidelines to prevent virus infection. However, several surveys show that very few people follow this suggestion. Thus we propose UWash, a wearable solution with smartwatches, to assess handwashing procedures for the purpose of raising users' awareness and cultivating habits of high-quality handwashing. We address the task of handwashing assessment from readings of motion sensors similar to the action segmentation problem in computer vision, and propose a simple and lightweight two-stream UNet-like network to achieve it effectively. Experiments over 51 subjects show that UWash achieves an accuracy of 92.27% on handwashing gesture recognition, <0.5 seconds error on onset/offset detection, and <5 points error on gesture scoring in the user-dependent setting, and keeps promising in the user-independent evaluation and the user-independent-location-independent evaluation. UWash even performs well on 10 random passersby in a hospital 9 months later. UWash is the first work that scores the handwashing quality by gesture sequences and is instructive to guide users in promoting hand hygiene in daily life. Code and data are avaliable at https://github.com/aiotgroup/UWash
Authors: Timo Freiesleben, Gunnar K\"onig, Christoph Molnar, Alvaro Tejero-Cantero
Abstract: To learn about real world phenomena, scientists have traditionally used models with clearly interpretable elements. However, modern machine learning (ML) models, while powerful predictors, lack this direct elementwise interpretability (e.g. neural network weights). Interpretable machine learning (IML) offers a solution by analyzing models holistically to derive interpretations. Yet, current IML research is focused on auditing ML models rather than leveraging them for scientific inference. Our work bridges this gap, presenting a framework for designing IML methods-termed 'property descriptors' -- that illuminate not just the model, but also the phenomenon it represents. We demonstrate that property descriptors, grounded in statistical learning theory, can effectively reveal relevant properties of the joint probability distribution of the observational data. We identify existing IML methods suited for scientific inference and provide a guide for developing new descriptors with quantified epistemic uncertainty. Our framework empowers scientists to harness ML models for inference, and provides directions for future IML research to support scientific understanding.
Authors: Fenglin Liu, Bang Yang, Chenyu You, Xian Wu, Shen Ge, Zhangdaihong Liu, Xu Sun, Yang Yang, David A. Clifton
Abstract: Language models (LMs), such as ChatGPT, have the potential to assist clinicians in generating various clinical notes. However, LMs are prone to produce ``hallucinations'', i.e., generated content that is not aligned with facts and knowledge. In this paper, we propose the Re$^3$Writer method with retrieval-augmented generation and knowledge-grounded reasoning to enable LMs to generate faithful clinical texts. We demonstrate the effectiveness of our method in generating patient discharge instructions. It requires the LMs to understand the patients' long clinical documents, i.e., the health records during hospitalization, to generate critical instructional information provided both to carers and to the patient at the time of discharge. The proposed Re$^3$Writer imitates the working patterns of physicians to first retrieve related working experience from historical instructions written by physicians, then reason related medical knowledge. Finally, it refines the retrieved working experience and reasoned medical knowledge to extract useful information, which is used to generate the discharge instructions for previously-unseen patients. Our experiments show that, using our method, the performance of five different LMs can be substantially boosted across all metrics. Meanwhile, we show results from human evaluations to measure the effectiveness in terms of fluency, faithfulness, and comprehensiveness. The code is available at https://github.com/AI-in-Hospitals/Patient-Instructions
URLs: https://github.com/AI-in-Hospitals/Patient-Instructions
Authors: Haitao Lin, Yufei Huang, Odin Zhang, Siqi Ma, Meng Liu, Xuanjing Li, Lirong Wu, Jishui Wang, Tingjun Hou, Stan Z. Li
Abstract: Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one by one. However, in real-world molecular systems, the interactions among atoms in an entire molecule are global, leading to the energy function pair-coupled among atoms. With such energy-based consideration, the modeling of probability should be based on joint distributions, rather than sequentially conditional ones. Thus, the unnatural sequentially auto-regressive modeling of molecule generation is likely to violate the physical rules, thus resulting in poor properties of the generated molecules. In this work, a generative diffusion model for molecular 3D structures based on target proteins as contextual constraints is established, at a full-atom level in a non-autoregressive way. Given a designated 3D protein binding site, our model learns the generative process that denoises both element types and 3D coordinates of an entire molecule, with an equivariant network. Experimentally, the proposed method shows competitive performance compared with prevailing works in terms of high affinity with proteins and appropriate molecule sizes as well as other drug properties such as drug-likeness of the generated molecules.
Authors: Chris Cameron, Jason Hartford, Taylor Lundy, Tuan Truong, Alan Milligan, Rex Chen, Kevin Leyton-Brown
Abstract: We introduce Monte Carlo Forest Search (MCFS), a class of reinforcement learning (RL) algorithms for learning policies in {tree MDPs}, for which policy execution involves traversing an exponential-sized tree. Examples of such problems include proving unsatisfiability of a SAT formula; counting the number of solutions of a satisfiable SAT formula; and finding the optimal solution to a mixed-integer program. MCFS algorithms can be seen as extensions of Monte Carlo Tree Search (MCTS) to cases where, rather than finding a good path (solution) within a tree, the problem is to find a small tree within a forest of candidate trees. We instantiate and evaluate our ideas in an algorithm that we dub Knuth Synthesis, an MCFS algorithm that learns DPLL branching policies for solving the Boolean satisfiability (SAT) problem, with the objective of achieving good average-case performance on a given distribution of unsatisfiable problem instances. Knuth Synthesis is the first RL approach to avoid the prohibitive costs of policy evaluations in an exponentially-sized tree, leveraging two key ideas: first, we estimate tree size by randomly sampling paths and measuring their lengths, drawing on an unbiased approximation due to Knuth (1975); second, we query a strong solver at a user-defined depth rather than learning a policy across the whole tree, to focus our policy search on early decisions that offer the greatest potential for reducing tree size. We matched or exceeded the performance of a strong baseline on three well-known SAT distributions, facing problems that were two orders of magnitude more challenging than those addressed in previous RL studies.
Authors: Florinel-Alin Croitoru, Nicolae-Catalin Ristea, Dana Dascalescu, Radu Tudor Ionescu, Fahad Shahbaz Khan, Mubarak Shah
Abstract: We propose a very fast frame-level model for anomaly detection in video, which learns to detect anomalies by distilling knowledge from multiple highly accurate object-level teacher models. To improve the fidelity of our student, we distill the low-resolution anomaly maps of the teachers by jointly applying standard and adversarial distillation, introducing an adversarial discriminator for each teacher to distinguish between target and generated anomaly maps. We conduct experiments on three benchmarks (Avenue, ShanghaiTech, UCSD Ped2), showing that our method is over 7 times faster than the fastest competing method, and between 28 and 62 times faster than object-centric models, while obtaining comparable results to recent methods. Our evaluation also indicates that our model achieves the best trade-off between speed and accuracy, due to its previously unheard-of speed of 1480 FPS. In addition, we carry out a comprehensive ablation study to justify our architectural design choices. Our code is freely available at: https://github.com/ristea/fast-aed.
Authors: Yuen Chen, Vethavikashini Chithrra Raghuram, Justus Mattern, Mrinmaya Sachan, Rada Mihalcea, Bernhard Sch\"olkopf, Zhijing Jin
Abstract: Generated texts from large language models (LLMs) have been shown to exhibit a variety of harmful, human-like biases against various demographics. These findings motivate research efforts aiming to understand and measure such effects. Prior works have proposed benchmarks for identifying and techniques for mitigating these stereotypical associations. However, as recent research pointed out, existing benchmarks lack a robust experimental setup, hindering the inference of meaningful conclusions from their evaluation metrics. In this paper, we introduce a list of desiderata for robustly measuring biases in generative language models. Building upon these design principles, we propose a benchmark called OCCUGENDER, with a bias-measuring procedure to investigate occupational gender bias. We then use this benchmark to test several state-of-the-art open-source LLMs, including Llama, Mistral, and their instruction-tuned versions. The results show that these models exhibit substantial occupational gender bias. We further propose prompting techniques to mitigate these biases without requiring fine-tuning. Finally, we validate the effectiveness of our methods through experiments on the same set of models.
Authors: Buck Shlegeris, Fabien Roger, Lawrence Chan, Euan McLean
Abstract: Current language models are considered to have sub-human capabilities at natural language tasks like question-answering or writing code. However, language models are not trained to perform well at these tasks, they are trained to accurately predict the next token given previous tokes in tokenized text. It is not clear whether language models are better or worse than humans at next token prediction. To try to answer this question, we performed two distinct experiments to directly compare humans and language models on this front: one measuring top-1 accuracy and the other measuring perplexity. In both experiments, we find humans to be consistently \emph{worse} than even relatively small language models like GPT3-Ada at next-token prediction.
Authors: Da-Wei Zhou, Qi-Wei Wang, Zhi-Hong Qi, Han-Jia Ye, De-Chuan Zhan, Ziwei Liu
Abstract: Deep models, e.g., CNNs and Vision Transformers, have achieved impressive achievements in many vision tasks in the closed world. However, novel classes emerge from time to time in our ever-changing world, requiring a learning system to acquire new knowledge continually. Class-Incremental Learning (CIL) enables the learner to incorporate the knowledge of new classes incrementally and build a universal classifier among all seen classes. Correspondingly, when directly training the model with new class instances, a fatal problem occurs -- the model tends to catastrophically forget the characteristics of former ones, and its performance drastically degrades. There have been numerous efforts to tackle catastrophic forgetting in the machine learning community. In this paper, we survey comprehensively recent advances in class-incremental learning and summarize these methods from several aspects. We also provide a rigorous and unified evaluation of 17 methods in benchmark image classification tasks to find out the characteristics of different algorithms empirically. Furthermore, we notice that the current comparison protocol ignores the influence of memory budget in model storage, which may result in unfair comparison and biased results. Hence, we advocate fair comparison by aligning the memory budget in evaluation, as well as several memory-agnostic performance measures. The source code is available at https://github.com/zhoudw-zdw/CIL_Survey/
Authors: Wenxuan Zhou, Bowen Jiang, Fan Yang, Chris Paxton, David Held
Abstract: Manipulating objects without grasping them is an essential component of human dexterity, referred to as non-prehensile manipulation. Non-prehensile manipulation may enable more complex interactions with the objects, but also presents challenges in reasoning about gripper-object interactions. In this work, we introduce Hybrid Actor-Critic Maps for Manipulation (HACMan), a reinforcement learning approach for 6D non-prehensile manipulation of objects using point cloud observations. HACMan proposes a temporally-abstracted and spatially-grounded object-centric action representation that consists of selecting a contact location from the object point cloud and a set of motion parameters describing how the robot will move after making contact. We modify an existing off-policy RL algorithm to learn in this hybrid discrete-continuous action representation. We evaluate HACMan on a 6D object pose alignment task in both simulation and in the real world. On the hardest version of our task, with randomized initial poses, randomized 6D goals, and diverse object categories, our policy demonstrates strong generalization to unseen object categories without a performance drop, achieving an 89% success rate on unseen objects in simulation and 50% success rate with zero-shot transfer in the real world. Compared to alternative action representations, HACMan achieves a success rate more than three times higher than the best baseline. With zero-shot sim2real transfer, our policy can successfully manipulate unseen objects in the real world for challenging non-planar goals, using dynamic and contact-rich non-prehensile skills. Videos can be found on the project website: https://hacman-2023.github.io.
Authors: Shenghao Wu, Wenbin Zhou, Minshuo Chen, Shixiang Zhu
Abstract: Estimating the counterfactual outcome of treatment is essential for decision-making in public health and clinical science, among others. Often, treatments are administered in a sequential, time-varying manner, leading to an exponentially increased number of possible counterfactual outcomes. Furthermore, in modern applications, the outcomes are high-dimensional and conventional average treatment effect estimation fails to capture disparities in individuals. To tackle these challenges, we propose a novel conditional generative framework capable of producing counterfactual samples under time-varying treatment, without the need for explicit density estimation. Our method carefully addresses the distribution mismatch between the observed and counterfactual distributions via a loss function based on inverse probability re-weighting, and supports integration with state-of-the-art conditional generative models such as the guided diffusion and conditional variational autoencoder. We present a thorough evaluation of our method using both synthetic and real-world data. Our results demonstrate that our method is capable of generating high-quality counterfactual samples and outperforms the state-of-the-art baselines.
Authors: Abihith Kothapalli, Ashkan Shahbazi, Xinran Liu, Robert Sheng, Soheil Kolouri
Abstract: Learning from set-structured data, such as point clouds, has gained significant attention from the machine learning community. Geometric deep learning provides a blueprint for designing effective set neural networks that preserve the permutation symmetry of set-structured data. Of our interest are permutation invariant networks, which are composed of a permutation equivariant backbone, permutation invariant global pooling, and regression/classification head. While existing literature has focused on improving equivariant backbones, the impact of the pooling layer is often overlooked. In this paper, we examine the interplay between permutation equivariant backbones and permutation invariant global pooling on three benchmark point cloud classification datasets. Our findings reveal that: 1) complex pooling methods, such as transport-based or attention-based poolings, can significantly boost the performance of simple backbones, but the benefits diminish for more complex backbones, 2) even complex backbones can benefit from pooling layers in low data scenarios, 3) surprisingly, the choice of pooling layers can have a more significant impact on the model's performance than adjusting the width and depth of the backbone, and 4) pairwise combination of pooling layers can significantly improve the performance of a fixed backbone. Our comprehensive study provides insights for practitioners to design better permutation invariant set neural networks. Our code is available at https://github.com/mint-vu/backbone_vs_pooling.
Authors: Yumeng Li, Margret Keuper, Dan Zhang, Anna Khoreva
Abstract: Emerging large-scale text-to-image generative models, e.g., Stable Diffusion (SD), have exhibited overwhelming results with high fidelity. Despite the magnificent progress, current state-of-the-art models still struggle to generate images fully adhering to the input prompt. Prior work, Attend & Excite, has introduced the concept of Generative Semantic Nursing (GSN), aiming to optimize cross-attention during inference time to better incorporate the semantics. It demonstrates promising results in generating simple prompts, e.g., "a cat and a dog". However, its efficacy declines when dealing with more complex prompts, and it does not explicitly address the problem of improper attribute binding. To address the challenges posed by complex prompts or scenarios involving multiple entities and to achieve improved attribute binding, we propose Divide & Bind. We introduce two novel loss objectives for GSN: a novel attendance loss and a binding loss. Our approach stands out in its ability to faithfully synthesize desired objects with improved attribute alignment from complex prompts and exhibits superior performance across multiple evaluation benchmarks.
Authors: Isabel O. Gallegos, Ryan A. Rossi, Joe Barrow, Md Mehrab Tanjim, Sungchul Kim, Franck Dernoncourt, Tong Yu, Ruiyi Zhang, Nesreen K. Ahmed
Abstract: Rapid advancements of large language models (LLMs) have enabled the processing, understanding, and generation of human-like text, with increasing integration into systems that touch our social sphere. Despite this success, these models can learn, perpetuate, and amplify harmful social biases. In this paper, we present a comprehensive survey of bias evaluation and mitigation techniques for LLMs. We first consolidate, formalize, and expand notions of social bias and fairness in natural language processing, defining distinct facets of harm and introducing several desiderata to operationalize fairness for LLMs. We then unify the literature by proposing three intuitive taxonomies, two for bias evaluation, namely metrics and datasets, and one for mitigation. Our first taxonomy of metrics for bias evaluation disambiguates the relationship between metrics and evaluation datasets, and organizes metrics by the different levels at which they operate in a model: embeddings, probabilities, and generated text. Our second taxonomy of datasets for bias evaluation categorizes datasets by their structure as counterfactual inputs or prompts, and identifies the targeted harms and social groups; we also release a consolidation of publicly-available datasets for improved access. Our third taxonomy of techniques for bias mitigation classifies methods by their intervention during pre-processing, in-training, intra-processing, and post-processing, with granular subcategories that elucidate research trends. Finally, we identify open problems and challenges for future work. Synthesizing a wide range of recent research, we aim to provide a clear guide of the existing literature that empowers researchers and practitioners to better understand and prevent the propagation of bias in LLMs.
Authors: Han Lin, Abhay Zala, Jaemin Cho, Mohit Bansal
Abstract: Recent text-to-video (T2V) generation methods have seen significant advancements. However, the majority of these works focus on producing short video clips of a single event (i.e., single-scene videos). Meanwhile, recent large language models (LLMs) have demonstrated their capability in generating layouts and programs to control downstream visual modules. This prompts an important question: can we leverage the knowledge embedded in these LLMs for temporally consistent long video generation? In this paper, we propose VideoDirectorGPT, a novel framework for consistent multi-scene video generation that uses the knowledge of LLMs for video content planning and grounded video generation. Specifically, given a single text prompt, we first ask our video planner LLM (GPT-4) to expand it into a 'video plan', which includes the scene descriptions, the entities with their respective layouts, the background for each scene, and consistency groupings of the entities. Next, guided by this video plan, our video generator, named Layout2Vid, has explicit control over spatial layouts and can maintain temporal consistency of entities across multiple scenes, while being trained only with image-level annotations. Our experiments demonstrate that our proposed VideoDirectorGPT framework substantially improves layout and movement control in both single- and multi-scene video generation and can generate multi-scene videos with consistency, while achieving competitive performance with SOTAs in open-domain single-scene T2V generation. Detailed ablation studies, including dynamic adjustment of layout control strength with an LLM and video generation with user-provided images, confirm the effectiveness of each component of our framework and its future potential.
Authors: Sneha Silwal, Karmesh Yadav, Tingfan Wu, Jay Vakil, Arjun Majumdar, Sergio Arnaud, Claire Chen, Vincent-Pierre Berges, Dhruv Batra, Aravind Rajeswaran, Mrinal Kalakrishnan, Franziska Meier, Oleksandr Maksymets
Abstract: We present a large empirical investigation on the use of pre-trained visual representations (PVRs) for training downstream policies that execute real-world tasks. Our study involves five different PVRs, each trained for five distinct manipulation or indoor navigation tasks. We performed this evaluation using three different robots and two different policy learning paradigms. From this effort, we can arrive at three insights: 1) the performance trends of PVRs in the simulation are generally indicative of their trends in the real world, 2) the use of PVRs enables a first-of-its-kind result with indoor ImageNav (zero-shot transfer to a held-out scene in the real world), and 3) the benefits from variations in PVRs, primarily data-augmentation and fine-tuning, also transfer to the real-world performance. See project website for additional details and visuals.
Authors: Gulcin Baykal, Melih Kandemir, Gozde Unal
Abstract: Codebook collapse is a common problem in training deep generative models with discrete representation spaces like Vector Quantized Variational Autoencoders (VQ-VAEs). We observe that the same problem arises for the alternatively designed discrete variational autoencoders (dVAEs) whose encoder directly learns a distribution over the codebook embeddings to represent the data. We hypothesize that using the softmax function to obtain a probability distribution causes the codebook collapse by assigning overconfident probabilities to the best matching codebook elements. In this paper, we propose a novel way to incorporate evidential deep learning (EDL) instead of softmax to combat the codebook collapse problem of dVAE. We evidentially monitor the significance of attaining the probability distribution over the codebook embeddings, in contrast to softmax usage. Our experiments using various datasets show that our model, called EdVAE, mitigates codebook collapse while improving the reconstruction performance, and enhances the codebook usage compared to dVAE and VQ-VAE based models. Our code can be found at https://github.com/ituvisionlab/EdVAE .
Authors: Bowen Jin, Wentao Zhang, Yu Zhang, Yu Meng, Han Zhao, Jiawei Han
Abstract: In real-world scenarios, texts in a graph are often linked by multiple semantic relations (e.g., papers in an academic graph are referenced by other publications, written by the same author, or published in the same venue), where text documents and their relations form a multiplex text-attributed graph. Mainstream text representation learning methods use pretrained language models (PLMs) to generate one embedding for each text unit, expecting that all types of relations between texts can be captured by these single-view embeddings. However, this presumption does not hold particularly in multiplex text-attributed graphs. Along another line of work, multiplex graph neural networks (GNNs) directly initialize node attributes as a feature vector for node representation learning, but they cannot fully capture the semantics of the nodes' associated texts. To bridge these gaps, we propose METAG, a new framework for learning Multiplex rEpresentations on Text-Attributed Graphs. In contrast to existing methods, METAG uses one text encoder to model the shared knowledge across relations and leverages a small number of parameters per relation to derive relation-specific representations. This allows the encoder to effectively capture the multiplex structures in the graph while also preserving parameter efficiency. We conduct experiments on nine downstream tasks in five graphs from both academic and e-commerce domains, where METAG outperforms baselines significantly and consistently. The code is available at https://github.com/PeterGriffinJin/METAG.
Authors: Abhay Zala, Han Lin, Jaemin Cho, Mohit Bansal
Abstract: Text-to-image (T2I) generation has seen significant growth over the past few years. Despite this, there has been little work on generating diagrams with T2I models. A diagram is a symbolic/schematic representation that explains information using structurally rich and spatially complex visualizations (e.g., a dense combination of related objects, text labels, directional arrows/lines, etc.). Existing state-of-the-art T2I models often fail at diagram generation because they lack fine-grained object layout control when many objects are densely connected via complex relations such as arrows/lines, and also often fail to render comprehensible text labels. To address this gap, we present DiagrammerGPT, a novel two-stage text-to-diagram generation framework leveraging the layout guidance capabilities of LLMs to generate more accurate diagrams. In the first stage, we use LLMs to generate and iteratively refine 'diagram plans' (in a planner-auditor feedback loop). In the second stage, we use a diagram generator, DiagramGLIGEN, and a text label rendering module to generate diagrams (with clear text labels) following the diagram plans. To benchmark the text-to-diagram generation task, we introduce AI2D-Caption, a densely annotated diagram dataset built on top of the AI2D dataset. We show that our DiagrammerGPT framework produces more accurate diagrams, outperforming existing T2I models. We also provide comprehensive analysis, including open-domain diagram generation, multi-platform vector graphic diagram generation, human-in-the-loop editing, and multimodal planner/auditor LLMs.
Authors: Ziyi Wang, Yujie Chen, Qifan Song, Ruqi Zhang
Abstract: Low-precision training has emerged as a promising low-cost technique to enhance the training efficiency of deep neural networks without sacrificing much accuracy. Its Bayesian counterpart can further provide uncertainty quantification and improved generalization accuracy. This paper investigates low-precision sampling via Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) with low-precision and full-precision gradient accumulators for both strongly log-concave and non-log-concave distributions. Theoretically, our results show that, to achieve $\epsilon$-error in the 2-Wasserstein distance for non-log-concave distributions, low-precision SGHMC achieves quadratic improvement ($\widetilde{\mathbf{O}}\left({\epsilon^{-2}{\mu^*}^{-2}\log^2\left({\epsilon^{-1}}\right)}\right)$) compared to the state-of-the-art low-precision sampler, Stochastic Gradient Langevin Dynamics (SGLD) ($\widetilde{\mathbf{O}}\left({{\epsilon}^{-4}{\lambda^{*}}^{-1}\log^5\left({\epsilon^{-1}}\right)}\right)$). Moreover, we prove that low-precision SGHMC is more robust to the quantization error compared to low-precision SGLD due to the robustness of the momentum-based update w.r.t. gradient noise. Empirically, we conduct experiments on synthetic data, and {MNIST, CIFAR-10 \& CIFAR-100} datasets, which validate our theoretical findings. Our study highlights the potential of low-precision SGHMC as an efficient and accurate sampling method for large-scale and resource-limited machine learning.
Authors: Rodrigo Carrasco-Davis, Javier Mas\'is, Andrew M. Saxe
Abstract: Biological and artificial learning agents face numerous choices about how to learn, ranging from hyperparameter selection to aspects of task distributions like curricula. Understanding how to make these meta-learning choices could offer normative accounts of cognitive control functions in biological learners and improve engineered systems. Yet optimal strategies remain challenging to compute in modern deep networks due to the complexity of optimizing through the entire learning process. Here we theoretically investigate optimal strategies in a tractable setting. We present a learning effort framework capable of efficiently optimizing control signals on a fully normative objective: discounted cumulative performance throughout learning. We obtain computational tractability by using average dynamical equations for gradient descent, available for simple neural network architectures. Our framework accommodates a range of meta-learning and automatic curriculum learning methods in a unified normative setting. We apply this framework to investigate the effect of approximations in common meta-learning algorithms; infer aspects of optimal curricula; and compute optimal neuronal resource allocation in a continual learning setting. Across settings, we find that control effort is most beneficial when applied to easier aspects of a task early in learning; followed by sustained effort on harder aspects. Overall, the learning effort framework provides a tractable theoretical test bed to study normative benefits of interventions in a variety of learning systems, as well as a formal account of optimal cognitive control strategies over learning trajectories posited by established theories in cognitive neuroscience.
Authors: J\'er\'emy Scheurer, Mikita Balesni, Marius Hobbhahn
Abstract: We demonstrate a situation in which Large Language Models, trained to be helpful, harmless, and honest, can display misaligned behavior and strategically deceive their users about this behavior without being instructed to do so. Concretely, we deploy GPT-4 as an agent in a realistic, simulated environment, where it assumes the role of an autonomous stock trading agent. Within this environment, the model obtains an insider tip about a lucrative stock trade and acts upon it despite knowing that insider trading is disapproved of by company management. When reporting to its manager, the model consistently hides the genuine reasons behind its trading decision. We perform a brief investigation of how this behavior varies under changes to the setting, such as removing model access to a reasoning scratchpad, attempting to prevent the misaligned behavior by changing system instructions, changing the amount of pressure the model is under, varying the perceived risk of getting caught, and making other simple changes to the environment. To our knowledge, this is the first demonstration of Large Language Models trained to be helpful, harmless, and honest, strategically deceiving their users in a realistic situation without direct instructions or training for deception.
Authors: Zhicheng Yang, Yinya Huang, Jing Xiong, Liang Feng, Xiaodan Liang, Yiwei Wang, Jing Tang
Abstract: Large Language Models prompting, such as using in-context demonstrations, is a mainstream technique for invoking LLMs to perform high-performance and solid complex reasoning (e.g., mathematical reasoning, commonsense reasoning), and has the potential for further human-machine collaborative scientific findings. However, current LLMs are delicate and elusive in prompt words and styles. And there is an unseen gap between LLM understanding and human-written prompts. This paper introduces AlignedCoT, an LLM-acquainted prompting technique that includes proficient "native-speaking" in in-context learning for the LLMs. Specifically, it achieves consistent and correct step-wise prompts in zero-shot scenarios by progressively probing, refining, and formatting the LLM chain of thoughts so that free from handcrafted few-shot demonstrations while maintaining the prompt quality. We conduct experiments on mathematical reasoning and commonsense reasoning. We find that LLMs with AlignedCoT perform significantly superior to them with human-crafted demonstrations. We further apply AlignedCoT for rewriting the GSM8k training set, resulting in a GSM8k-Align dataset. We observe its benefits for retrieval augmented generation.
Authors: Jingjing Zheng, Wanglong Lu, Wenzhe Wang, Yankai Cao, Xiaoqin Zhang, Xianta Jiang
Abstract: Recently, numerous tensor singular value decomposition (t-SVD)-based tensor recovery methods have shown promise in processing visual data, such as color images and videos. However, these methods often suffer from severe performance degradation when confronted with tensor data exhibiting non-smooth changes. It has been commonly observed in real-world scenarios but ignored by the traditional t-SVD-based methods. In this work, we introduce a novel tensor recovery model with a learnable tensor nuclear norm to address such a challenge. We develop a new optimization algorithm named the Alternating Proximal Multiplier Method (APMM) to iteratively solve the proposed tensor completion model. Theoretical analysis demonstrates the convergence of the proposed APMM to the Karush-Kuhn-Tucker (KKT) point of the optimization problem. In addition, we propose a multi-objective tensor recovery framework based on APMM to efficiently explore the correlations of tensor data across its various dimensions, providing a new perspective on extending the t-SVD-based method to higher-order tensor cases. Numerical experiments demonstrated the effectiveness of the proposed method in tensor completion.
Authors: Wenbo Hao
Abstract: Neural ordinary differential equations (Neural ODEs) is a class of machine learning models that approximate the time derivative of hidden states using a neural network. They are powerful tools for modeling continuous-time dynamical systems, enabling the analysis and prediction of complex temporal behaviors. However, how to improve the model's stability and physical interpretability remains a challenge. This paper introduces new conservation relations in Neural ODEs using Lie symmetries in both the hidden state dynamics and the back propagation dynamics. These conservation laws are then incorporated into the loss function as additional regularization terms, potentially enhancing the physical interpretability and generalizability of the model. To illustrate this method, the paper derives Lie symmetries and conservation laws in a simple Neural ODE designed to monitor charged particles in a sinusoidal electric field. New loss functions are constructed from these conservation relations, demonstrating the applicability symmetry-regularized Neural ODE in typical modeling tasks, such as data-driven discovery of dynamical systems.
Authors: Andrey Voynov, Amir Hertz, Moab Arar, Shlomi Fruchter, Daniel Cohen-Or
Abstract: State-of-the-art diffusion models can generate highly realistic images based on various conditioning like text, segmentation, and depth. However, an essential aspect often overlooked is the specific camera geometry used during image capture. The influence of different optical systems on the final scene appearance is frequently overlooked. This study introduces a framework that intimately integrates a text-to-image diffusion model with the particular lens geometry used in image rendering. Our method is based on a per-pixel coordinate conditioning method, enabling the control over the rendering geometry. Notably, we demonstrate the manipulation of curvature properties, achieving diverse visual effects, such as fish-eye, panoramic views, and spherical texturing using a single diffusion model.
Authors: Baran Hashemi, Claudius Krause
Abstract: In modern collider experiments, the quest to explore fundamental interactions between elementary particles has reached unparalleled levels of precision. Signatures from particle physics detectors are low-level objects (such as energy depositions or tracks) encoding the physics of collisions (the final state particles of hard scattering interactions). The complete simulation of them in a detector is a computational and storage-intensive task. To address this computational bottleneck in particle physics, alternative approaches have been developed, introducing additional assumptions and trade off accuracy for speed.The field has seen a surge in interest in surrogate modeling the detector simulation, fueled by the advancements in deep generative models. These models aim to generate responses that are statistically identical to the observed data. In this paper, we conduct a comprehensive and exhaustive taxonomic review of the existing literature on the simulation of detector signatures from both methodological and application-wise perspectives. Initially, we formulate the problem of detector signature simulation and discuss its different variations that can be unified. Next, we classify the state-of-the-art methods into five distinct categories based on their underlying model architectures, summarizing their respective generation strategies. Finally, we shed light on the challenges and opportunities that lie ahead in detector signature simulation, setting the stage for future research and development.
Authors: Moses Openja (Jack), Foutse Khomh (Jack), Armstrong Foundjem (Jack), Zhen Ming (Jack), Jiang, Mouna Abidi, Ahmed E. Hassan
Abstract: Recently, machine and deep learning (ML/DL) algorithms have been increasingly adopted in many software systems. Due to their inductive nature, ensuring the quality of these systems remains a significant challenge for the research community. Unlike traditional software built deductively by writing explicit rules, ML/DL systems infer rules from training data. Recent research in ML/DL quality assurance has adapted concepts from traditional software testing, such as mutation testing, to improve reliability. However, it is unclear if these proposed testing techniques are adopted in practice, or if new testing strategies have emerged from real-world ML deployments. There is little empirical evidence about the testing strategies. To fill this gap, we perform the first fine-grained empirical study on ML testing in the wild to identify the ML properties being tested, the testing strategies, and their implementation throughout the ML workflow. We conducted a mixed-methods study to understand ML software testing practices. We analyzed test files and cases from 11 open-source ML/DL projects on GitHub. Using open coding, we manually examined the testing strategies, tested ML properties, and implemented testing methods to understand their practical application in building and releasing ML/DL software systems. Our findings reveal several key insights: 1.) The most common testing strategies, accounting for less than 40%, are Grey-box and White-box methods, such as Negative Testing, Oracle Approximation and Statistical Testing. 2.) A wide range of 17 ML properties are tested, out of which only 20% to 30% are frequently tested, including Consistency, Correctness}, and Efficiency. 3.) Bias and Fairness is more tested in Recommendation, while Security & Privacy is tested in Computer Vision (CV) systems, Application Platforms, and Natural Language Processing (NLP) systems.
Authors: Vincent Plassier, Nikita Kotelevskii, Aleksandr Rubashevskii, Fedor Noskov, Maksim Velikanov, Alexander Fishkov, Samuel Horvath, Martin Takac, Eric Moulines, Maxim Panov
Abstract: Conformal Prediction (CP) stands out as a robust framework for uncertainty quantification, which is crucial for ensuring the reliability of predictions. However, common CP methods heavily rely on data exchangeability, a condition often violated in practice. Existing approaches for tackling non-exchangeability lead to methods that are not computable beyond the simplest examples. This work introduces a new efficient approach to CP that produces provably valid confidence sets for fairly general non-exchangeable data distributions. We illustrate the general theory with applications to the challenging setting of federated learning under data heterogeneity between agents. Our method allows constructing provably valid personalized prediction sets for agents in a fully federated way. The effectiveness of the proposed method is demonstrated in a series of experiments on real-world datasets.
Authors: Georg Gottwald, Fengyi Li, Youssef Marzouk, Sebastian Reich
Abstract: We consider the problem of sampling from an unknown distribution for which only a sufficiently large number of training samples are available. Such settings have recently drawn considerable interest in the context of generative modelling and Bayesian inference. In this paper, we propose a generative model combining Schr\"odinger bridges and Langevin dynamics. Schr\"odinger bridges over an appropriate reversible reference process are used to approximate the conditional transition probability from the available training samples, which is then implemented in a discrete-time reversible Langevin sampler to generate new samples. By setting the kernel bandwidth in the reference process to match the time step size used in the unadjusted Langevin algorithm, our method effectively circumvents any stability issues typically associated with the time-stepping of stiff stochastic differential equations. Moreover, we introduce a novel split-step scheme, ensuring that the generated samples remain within the convex hull of the training samples. Our framework can be naturally extended to generate conditional samples and to Bayesian inference problems. We demonstrate the performance of our proposed scheme through experiments on synthetic datasets with increasing dimensions and on a stochastic subgrid-scale parametrization conditional sampling problem.
Authors: Kumara Kahatapitiya, Adil Karjauv, Davide Abati, Fatih Porikli, Yuki M. Asano, Amirhossein Habibian
Abstract: This paper aims to accelerate video stream processing, such as object detection and semantic segmentation, by leveraging the temporal redundancies that exist between video frames. Instead of propagating and warping features using motion alignment, such as optical flow, we propose a novel knowledge distillation schema coined as Delta Distillation. In our proposal, the student learns the variations in the teacher's intermediate features over time. We demonstrate that these temporal variations can be effectively distilled due to the temporal redundancies within video frames. During inference, both teacher and student cooperate for providing predictions: the former by providing initial representations extracted only on the key-frame, and the latter by iteratively estimating and applying deltas for the successive frames. Moreover, we consider various design choices to learn optimal student architectures including an end-to-end learnable architecture search. By extensive experiments on a wide range of architectures, including the most efficient ones, we demonstrate that delta distillation sets a new state of the art in terms of accuracy vs. efficiency trade-off for semantic segmentation and object detection in videos. Finally, we show that, as a by-product, delta distillation improves the temporal consistency of the teacher model.
Authors: Salman Ul Hassan Dar, Marvin Seyfarth, Jannik Kahmann, Isabelle Ayx, Theano Papavassiliu, Stefan O. Schoenberg, Norbert Frey, Bettina Bae{\ss}ler, Sebastian Foersch, Daniel Truhn, Jakob Nikolas Kather, Sandy Engelhardt
Abstract: AI models present a wide range of applications in the field of medicine. However, achieving optimal performance requires access to extensive healthcare data, which is often not readily available. Furthermore, the imperative to preserve patient privacy restricts patient data sharing with third parties and even within institutes. Recently, generative AI models have been gaining traction for facilitating open-data sharing by proposing synthetic data as surrogates of real patient data. Despite the promise, these models are susceptible to patient data memorization, where models generate patient data copies instead of novel synthetic samples. Considering the importance of the problem, it has received little attention in the medical imaging community. To this end, we assess memorization in unconditional latent diffusion models. We train 2D and 3D latent diffusion models on CT, MR, and X-ray datasets for synthetic data generation. Afterwards, we detect the amount of training data memorized utilizing our self-supervised approach and further investigate various factors that can influence memorization. Our findings show a surprisingly high degree of patient data memorization across all datasets, with approximately 40.9% of patient data being memorized and 78.5% of synthetic samples identified as patient data copies on average in our experiments. Further analyses reveal that using augmentation strategies during training can reduce memorization while over-training the models can enhance it. Although increasing the dataset size does not reduce memorization and might even enhance it, it does lower the probability of a synthetic sample being a patient data copy. Collectively, our results emphasize the importance of carefully training generative models on private medical imaging datasets, and examining the synthetic data to ensure patient privacy before sharing it for medical research and applications.
Authors: Xixu Hu, Runkai Zheng, Jindong Wang, Cheuk Hang Leung, Qi Wu, Xing Xie
Abstract: Vision Transformers (ViTs) are increasingly used in computer vision due to their high performance, but their vulnerability to adversarial attacks is a concern. Existing methods lack a solid theoretical basis, focusing mainly on empirical training adjustments. This study introduces SpecFormer, tailored to fortify ViTs against adversarial attacks, with theoretical underpinnings. We establish local Lipschitz bounds for the self-attention layer and propose the Maximum Singular Value Penalization (MSVP) to precisely manage these bounds By incorporating MSVP into ViTs' attention layers, we enhance the model's robustness without compromising training efficiency. SpecFormer, the resulting model, outperforms other state-of-the-art models in defending against adversarial attacks, as proven by experiments on CIFAR and ImageNet datasets. Code is released at https://github.com/microsoft/robustlearn.
Authors: Jiacheng Ye, Shansan Gong, Liheng Chen, Lin Zheng, Jiahui Gao, Han Shi, Chuan Wu, Xin Jiang, Zhenguo Li, Wei Bi, Lingpeng Kong
Abstract: Recently, diffusion models have garnered significant interest in the field of text processing due to their many potential advantages compared to conventional autoregressive models. In this work, we propose Diffusion-of-Thought (DoT), a novel approach that integrates diffusion models with Chain-of-Thought, a well-established technique for improving the reasoning ability of autoregressive language models. In contrast to autoregressive language models that make decisions in a left-to-right, token-by-token manner, DoT allows reasoning steps to diffuse over time through a diffusion language model and offers greater flexibility in trading-off computation for reasoning performance. Our experimental results demonstrate the effectiveness of DoT in multi-digit multiplication, boolean logic, and grade school math problems, with a small diffusion model outperforming a much larger autoregressive model in both efficiency and accuracy. In addition to that, DoT showcases promising self-correction abilities and benefits from existing reasoning-enhancing techniques like self-consistency decoding. Our findings contribute to the understanding and development of reasoning with diffusion language models.
Authors: Jean-Marie Lemercier, Julius Richter, Simon Welker, Eloi Moliner, Vesa V\"alim\"aki, Timo Gerkmann
Abstract: With the development of audio playback devices and fast data transmission, the demand for high sound quality is rising for both entertainment and communications. In this quest for better sound quality, challenges emerge from distortions and interferences originating at the recording side or caused by an imperfect transmission pipeline. To address this problem, audio restoration methods aim to recover clean sound signals from the corrupted input data. We present here audio restoration algorithms based on diffusion models, with a focus on speech enhancement and music restoration tasks. Traditional approaches, often grounded in handcrafted rules and statistical heuristics, have shaped our understanding of audio signals. In the past decades, there has been a notable shift towards data-driven methods that exploit the modeling capabilities of DNNs. Deep generative models, and among them diffusion models, have emerged as powerful techniques for learning complex data distributions. However, relying solely on DNN-based learning approaches carries the risk of reducing interpretability, particularly when employing end-to-end models. Nonetheless, data-driven approaches allow more flexibility in comparison to statistical model-based frameworks, whose performance depends on distributional and statistical assumptions that can be difficult to guarantee. Here, we aim to show that diffusion models can combine the best of both worlds and offer the opportunity to design audio restoration algorithms with a good degree of interpretability and a remarkable performance in terms of sound quality. We explain the diffusion formalism and its application to the conditional generation of clean audio signals. We believe that diffusion models open an exciting field of research with the potential to spawn new audio restoration algorithms that are natural-sounding and remain robust in difficult acoustic situations.
Authors: Jaewook Lee, Hanseul Cho, Chulhee Yun
Abstract: The Gradient Descent-Ascent (GDA) algorithm, designed to solve minimax optimization problems, takes the descent and ascent steps either simultaneously (Sim-GDA) or alternately (Alt-GDA). While Alt-GDA is commonly observed to converge faster, the performance gap between the two is not yet well understood theoretically, especially in terms of global convergence rates. To address this theory-practice gap, we present fine-grained convergence analyses of both algorithms for strongly-convex-strongly-concave and Lipschitz-gradient objectives. Our new iteration complexity upper bound of Alt-GDA is strictly smaller than the lower bound of Sim-GDA; i.e., Alt-GDA is provably faster. Moreover, we propose Alternating-Extrapolation GDA (Alex-GDA), a general algorithmic framework that subsumes Sim-GDA and Alt-GDA, for which the main idea is to alternately take gradients from extrapolations of the iterates. We show that Alex-GDA satisfies a smaller iteration complexity bound, identical to that of the Extra-gradient method, while requiring less gradient computations. We also prove that Alex-GDA enjoys linear convergence for bilinear problems, for which both Sim-GDA and Alt-GDA fail to converge at all.
Authors: Paul Seurin, Koroush Shirvan
Abstract: Optimizing the fuel cycle cost through the optimization of nuclear reactor core loading patterns involves multiple objectives and constraints, leading to a vast number of candidate solutions that cannot be explicitly solved. To advance the state-of-the-art in core reload patterns, we have developed methods based on Deep Reinforcement Learning (DRL) for both single- and multi-objective optimization. Our previous research has laid the groundwork for these approaches and demonstrated their ability to discover high-quality patterns within a reasonable time frame. On the other hand, stochastic optimization (SO) approaches are commonly used in the literature, but there is no rigorous explanation that shows which approach is better in which scenario. In this paper, we demonstrate the advantage of our RL-based approach, specifically using Proximal Policy Optimization (PPO), against the most commonly used SO-based methods: Genetic Algorithm (GA), Parallel Simulated Annealing (PSA) with mixing of states, and Tabu Search (TS), as well as an ensemble-based method, Prioritized Replay Evolutionary and Swarm Algorithm (PESA). We found that the LP scenarios derived in this paper are amenable to a global search to identify promising research directions rapidly, but then need to transition into a local search to exploit these directions efficiently and prevent getting stuck in local optima. PPO adapts its search capability via a policy with learnable weights, allowing it to function as both a global and local search method. Subsequently, we compared all algorithms against PPO in long runs, which exacerbated the differences seen in the shorter cases. Overall, the work demonstrates the statistical superiority of PPO compared to the other considered algorithms.
Authors: Jihai Zhang, Xiang Lan, Xiaoye Qu, Yu Cheng, Mengling Feng, Bryan Hooi
Abstract: Self-Supervised Contrastive Learning has proven effective in deriving high-quality representations from unlabeled data. However, a major challenge that hinders both unimodal and multimodal contrastive learning is feature suppression, a phenomenon where the trained model captures only a limited portion of the information from the input data while overlooking other potentially valuable content. This issue often leads to indistinguishable representations for visually similar but semantically different inputs, adversely affecting downstream task performance, particularly those requiring rigorous semantic comprehension. To address this challenge, we propose a novel model-agnostic Multistage Contrastive Learning (MCL) framework. Unlike standard contrastive learning which inherently captures one single biased feature distribution, MCL progressively learns previously unlearned features through feature-aware negative sampling at each stage, where the negative samples of an anchor are exclusively selected from the cluster it was assigned to in preceding stages. Meanwhile, MCL preserves the previously well-learned features by cross-stage representation integration, integrating features across all stages to form final representations. Our comprehensive evaluation demonstrates MCL's effectiveness and superiority across both unimodal and multimodal contrastive learning, spanning a range of model architectures from ResNet to Vision Transformers (ViT). Remarkably, in tasks where the original CLIP model has shown limitations, MCL dramatically enhances performance, with improvements up to threefold on specific attributes in the recently proposed MMVP benchmark.
Authors: Paul Daoudi, Bojan Mavkov, Bogdan Robu, Christophe Prieur, Emmanuel Witrant, Merwan Barlier, Ludovic Dos Santos
Abstract: This paper presents a learning-based control strategy for non-linear throttle valves with an asymmetric hysteresis, leading to a near-optimal controller without requiring any prior knowledge about the environment. We start with a carefully tuned Proportional Integrator (PI) controller and exploit the recent advances in Reinforcement Learning (RL) with Guides to improve the closed-loop behavior by learning from the additional interactions with the valve. We test the proposed control method in various scenarios on three different valves, all highlighting the benefits of combining both PI and RL frameworks to improve control performance in non-linear stochastic systems. In all the experimental test cases, the resulting agent has a better sample efficiency than traditional RL agents and outperforms the PI controller.
Authors: Xinke Shen, Lingyi Tao, Xuyang Chen, Sen Song, Quanying Liu, Dan Zhang
Abstract: Neural representations induced by naturalistic stimuli offer insights into how humans respond to stimuli in daily life. Understanding neural mechanisms underlying naturalistic stimuli processing hinges on the precise identification and extraction of the shared neural patterns that are consistently present across individuals. Targeting the Electroencephalogram (EEG) technique, known for its rich spatial and temporal information, this study presents a framework for Contrastive Learning of Shared SpatioTemporal EEG Representations across individuals (CL-SSTER). CL-SSTER utilizes contrastive learning to maximize the similarity of EEG representations across individuals for identical stimuli, contrasting with those for varied stimuli. The network employed spatial and temporal convolutions to simultaneously learn the spatial and temporal patterns inherent in EEG. The versatility of CL-SSTER was demonstrated on three EEG datasets, including a synthetic dataset, a natural speech comprehension EEG dataset, and an emotional video watching EEG dataset. CL-SSTER attained the highest inter-subject correlation (ISC) values compared to the state-of-the-art ISC methods. The latent representations generated by CL-SSTER exhibited reliable spatiotemporal EEG patterns, which can be explained by properties of the naturalistic stimuli. CL-SSTER serves as an interpretable and scalable framework for the identification of inter-subject shared neural representations in naturalistic neuroscience.
Authors: Yi Zhang, Yun Tang, Wenjie Ruan, Xiaowei Huang, Siddartha Khastgir, Paul Jennings, Xingyu Zhao
Abstract: Text-to-Image (T2I) Diffusion Models (DMs) have shown impressive abilities in generating high-quality images based on simple text descriptions. However, as is common with many Deep Learning (DL) models, DMs are subject to a lack of robustness. While there are attempts to evaluate the robustness of T2I DMs as a binary or worst-case problem, they cannot answer how robust in general the model is whenever an adversarial example (AE) can be found. In this study, we first introduce a probabilistic notion of T2I DMs' robustness; and then establish an efficient framework, ProTIP, to evaluate it with statistical guarantees. The main challenges stem from: i) the high computational cost of the generation process; and ii) determining if a perturbed input is an AE involves comparing two output distributions, which is fundamentally harder compared to other DL tasks like classification where an AE is identified upon misprediction of labels. To tackle the challenges, we employ sequential analysis with efficacy and futility early stopping rules in the statistical testing for identifying AEs, and adaptive concentration inequalities to dynamically determine the "just-right" number of stochastic perturbations whenever the verification target is met. Empirical experiments validate the effectiveness and efficiency of ProTIP over common T2I DMs. Finally, we demonstrate an application of ProTIP to rank commonly used defence methods.
Authors: Jeffrey G. Wang, Jason Wang, Marvin Li, Seth Neel
Abstract: In this paper we develop state-of-the-art privacy attacks against Large Language Models (LLMs), where an adversary with some access to the model tries to learn something about the underlying training data. Our headline results are new membership inference attacks (MIAs) against pretrained LLMs that perform hundreds of times better than baseline attacks, and a pipeline showing that over 50% (!) of the fine-tuning dataset can be extracted from a fine-tuned LLM in natural settings. We consider varying degrees of access to the underlying model, pretraining and fine-tuning data, and both MIAs and training data extraction. For pretraining data, we propose two new MIAs: a supervised neural network classifier that predicts training data membership on the basis of (dimensionality-reduced) model gradients, as well as a variant of this attack that only requires logit access to the model by leveraging recent model-stealing work on LLMs. To our knowledge this is the first MIA that explicitly incorporates model-stealing information. Both attacks outperform existing black-box baselines, and our supervised attack closes the gap between MIA attack success against LLMs and the strongest known attacks for other machine learning models. In fine-tuning, we find that a simple attack based on the ratio of the loss between the base and fine-tuned models is able to achieve near-perfect MIA performance; we then leverage our MIA to extract a large fraction of the fine-tuning dataset from fine-tuned Pythia and Llama models. Our code is available at github.com/safr-ai-lab/pandora-llm.
Authors: Jiwen Zhang, Jihao Wu, Yihua Teng, Minghui Liao, Nuo Xu, Xiao Xiao, Zhongyu Wei, Duyu Tang
Abstract: Large language model (LLM) leads to a surge of autonomous GUI agents for smartphone, which completes a task triggered by natural language through predicting a sequence of actions of API. Even though the task highly relies on past actions and visual observations, existing studies typically consider little semantic information carried out by intermediate screenshots and screen operations. To address this, this work presents Chain-of-Action-Thought (dubbed CoAT), which takes the description of the previous actions, the current screen, and more importantly the action thinking of what actions should be performed and the outcomes led by the chosen action. We demonstrate that, in a zero-shot setting upon three off-the-shelf LMMs, CoAT significantly improves the action prediction compared to previous proposed context modeling. To further facilitate the research in this line, we construct a dataset Android-In-The-Zoo (AitZ), which contains 18,643 screen-action pairs together with chain-of-action-thought annotations. Experiments show that fine-tuning a 1B model (i.e. AUTO-UI-base) on our AitZ dataset achieves on-par performance with CogAgent-Chat-18B.
Authors: Yuli Wu, Julian Wittmann, Peter Walter, Johannes Stegmaier
Abstract: Implantable retinal prostheses offer a promising solution to restore partial vision by circumventing damaged photoreceptor cells in the retina and directly stimulating the remaining functional retinal cells. However, the information transmission between the camera and retinal cells is often limited by the low resolution of the electrode array and the lack of specificity for different ganglion cell types, resulting in suboptimal stimulations. In this work, we propose to utilize normalizing flow-based conditional invertible neural networks to optimize retinal implant stimulation in an unsupervised manner. The invertibility of these networks allows us to use them as a surrogate for the computational model of the visual system, while also encoding input camera signals into optimized electrical stimuli on the electrode array. Compared to other methods, such as trivial downsampling, linear models, and feed-forward convolutional neural networks, the flow-based invertible neural network and its conditional extension yield better visual reconstruction qualities w.r.t. various metrics using a physiologically validated simulation tool.
Authors: H S V N S Kowndinya Renduchintala, Sumit Bhatia, Ganesh Ramakrishnan
Abstract: Instruction Tuning involves finetuning a language model on a collection of instruction-formatted datasets in order to enhance the generalizability of the model to unseen tasks. Studies have shown the importance of balancing different task proportions during finetuning, but finding the right balance remains challenging. Unfortunately, there's currently no systematic method beyond manual tuning or relying on practitioners' intuition. In this paper, we introduce SMART (Submodular data Mixture strAtegy for instRuction Tuning) - a novel data mixture strategy which makes use of a submodular function to assign importance scores to tasks which are then used to determine the mixture weights. Given a fine-tuning budget, SMART redistributes the budget among tasks and selects non-redundant samples from each task. Experimental results demonstrate that SMART significantly outperforms traditional methods such as examples proportional mixing and equal mixing. Furthermore, SMART facilitates the creation of data mixtures based on a few representative subsets of tasks alone and through task pruning analysis, we reveal that in a limited budget setting, allocating budget among a subset of representative tasks yields superior performance compared to distributing the budget among all tasks. The code for reproducing our results is open-sourced at https://github.com/kowndinya-renduchintala/SMART.
Authors: Yogesh Kumar, Pekka Marttinen
Abstract: We introduce eCLIP, an enhanced version of the CLIP model that integrates expert annotations in the form of radiologist eye-gaze heatmaps. It tackles key challenges in contrastive multi-modal medical imaging analysis, notably data scarcity and the "modality gap" -- a significant disparity between image and text embeddings that diminishes the quality of representations and hampers cross-modal interoperability. eCLIP integrates a heatmap processor and leverages mixup augmentation to efficiently utilize the scarce expert annotations, thus boosting the model's learning effectiveness. eCLIP is designed to be generally applicable to any variant of CLIP without requiring any modifications of the core architecture. Through detailed evaluations across several tasks, including zero-shot inference, linear probing, cross-modal retrieval, and Retrieval Augmented Generation (RAG) of radiology reports using a frozen Large Language Model, eCLIP showcases consistent improvements in embedding quality. The outcomes reveal enhanced alignment and uniformity, affirming eCLIP's capability to harness high-quality annotations for enriched multi-modal analysis in the medical imaging domain.
Authors: Jin-Young Kim, Hyojun Go, Soonwoo Kwon, Hyun-Gyoon Kim
Abstract: Diffusion-based generative models have emerged as powerful tools in the realm of generative modeling. Despite extensive research on denoising across various timesteps and noise levels, a conflict persists regarding the relative difficulties of the denoising tasks. While various studies argue that lower timesteps present more challenging tasks, others contend that higher timesteps are more difficult. To address this conflict, our study undertakes a comprehensive examination of task difficulties, focusing on convergence behavior and changes in relative entropy between consecutive probability distributions across timesteps. Our observational study reveals that denoising at earlier timesteps poses challenges characterized by slower convergence and higher relative entropy, indicating increased task difficulty at these lower timesteps. Building on these observations, we introduce an easy-to-hard learning scheme, drawing from curriculum learning, to enhance the training process of diffusion models. By organizing timesteps or noise levels into clusters and training models with ascending orders of difficulty, we facilitate an order-aware training regime, progressing from easier to harder denoising tasks, thereby deviating from the conventional approach of training diffusion models simultaneously across all timesteps. Our approach leads to improved performance and faster convergence by leveraging benefits of curriculum learning, while maintaining orthogonality with existing improvements in diffusion training techniques. We validate these advantages through comprehensive experiments in image generation tasks, including unconditional, class-conditional, and text-to-image generation.
Authors: Tunazzina Islam, Dan Goldwasser
Abstract: Grasping the themes of social media content is key to understanding the narratives that influence public opinion and behavior. The thematic analysis goes beyond traditional topic-level analysis, which often captures only the broadest patterns, providing deeper insights into specific and actionable themes such as "public sentiment towards vaccination", "political discourse surrounding climate policies," etc. In this paper, we introduce a novel approach to uncovering latent themes in social media messaging. Recognizing the limitations of the traditional topic-level analysis, which tends to capture only overarching patterns, this study emphasizes the need for a finer-grained, theme-focused exploration. Traditional theme discovery methods typically involve manual processes and a human-in-the-loop approach. While valuable, these methods face challenges in scalability, consistency, and resource intensity in terms of time and cost. To address these challenges, we propose a machine-in-the-loop approach that leverages the advanced capabilities of Large Language Models (LLMs). To demonstrate our approach, we apply our framework to contentious topics, such as climate debate and vaccine debate. We use two publicly available datasets: (1) the climate campaigns dataset of 21k Facebook ads and (2) the COVID-19 vaccine campaigns dataset of 9k Facebook ads. Our quantitative and qualitative analysis shows that our methodology yields more accurate and interpretable results compared to the baselines. Our results not only demonstrate the effectiveness of our approach in uncovering latent themes but also illuminate how these themes are tailored for demographic targeting in social media contexts. Additionally, our work sheds light on the dynamic nature of social media, revealing the shifts in the thematic focus of messaging in response to real-world events.
Authors: Guohao Sun, Can Qin, Jiamian Wang, Zeyuan Chen, Ran Xu, Zhiqiang Tao
Abstract: Recent advances in vision-language models have shown notable generalization in broad tasks through visual instruction tuning. However, bridging the gap between the pre-trained vision encoder and the large language models (LLMs) becomes the whole network's bottleneck. To improve cross-modality alignment, existing works usually consider more visual instruction data covering a broader range of vision tasks to fine-tune the model for question-answering, which, however, is costly to obtain and has not thoroughly explored the rich contextual information contained in images. This paper first attempts to harness the overlooked context within visual instruction data, training the model to self-supervised "learning" how to ask high-quality questions. In this way, we introduce a novel framework named SQ-LLaVA: Self-Questioning for Large Vision-Language Assistant. SQ-LLaVA exhibits proficiency in generating flexible and meaningful image-related questions while analyzing the visual clue and prior language knowledge, signifying an advanced level of generalized visual understanding. Moreover, fine-tuning SQ-LLaVA on higher-quality instruction data shows a performance improvement compared with traditional visual-instruction tuning methods. This improvement highlights the efficacy of self-questioning techniques in achieving a deeper and more nuanced comprehension of visual content across various contexts.
Authors: Gaurav Bhatt, James Ross, Leonid Sigal
Abstract: Modern pre-trained architectures struggle to retain previous information while undergoing continuous fine-tuning on new tasks. Despite notable progress in continual classification, systems designed for complex vision tasks such as detection or segmentation still struggle to attain satisfactory performance. In this work, we introduce a memory-based detection transformer architecture to adapt a pre-trained DETR-style detector to new tasks while preserving knowledge from previous tasks. We propose a novel localized query function for efficient information retrieval from memory units, aiming to minimize forgetting. Furthermore, we identify a fundamental challenge in continual detection referred to as background relegation. This arises when object categories from earlier tasks reappear in future tasks, potentially without labels, leading them to be implicitly treated as background. This is an inevitable issue in continual detection or segmentation. The introduced continual optimization technique effectively tackles this challenge. Finally, we assess the performance of our proposed system on continual detection benchmarks and demonstrate that our approach surpasses the performance of existing state-of-the-art resulting in 5-7% improvements on MS-COCO and PASCAL-VOC on the task of continual detection.
Authors: Yan Jia, Yuxin Song, Zihou Liu, Qingyin Tan, Yang Song, Yu Zhang, Zheli Liu
Abstract: Although CIoT has improved the convenience of daily activities, it also introduces new security and privacy concerns. Network traffic analysis, a common technique employed by the security community, has been extensively utilized to investigate security and privacy concerns, and it has also been applied to CIoT. However, compared to network traffic analysis in other fields such as mobile apps and websites, CIoT presents special new characteristics, which may introduce new challenges and research opportunities. In this study, we reviewed 310 publications on traffic analysis within the CIoT security and privacy domain, covering the period from January 2018 to December 2023. Initially, we summarized the CIoT traffic analysis process, highlighting the newly identified characteristics of CIoT. Subsequently, we classified existing research according to its application objectives: device fingerprinting, user activity inference, malicious traffic detection, and measurement. Lastly, we explore emerging challenges and potential future research avenues.
Authors: Jiaxuan Lu, Fang Yan, Xiaofan Zhang, Yue Gao, Shaoting Zhang
Abstract: As natural image understanding moves towards the pretrain-finetune era, research in pathology imaging is concurrently evolving. Despite the predominant focus on pretraining pathological foundation models, how to adapt foundation models to downstream tasks is little explored. For downstream adaptation, we propose the existence of two domain gaps, i.e., the Foundation-Task Gap and the Task-Instance Gap. To mitigate these gaps, we introduce PathoTune, a framework designed to efficiently adapt pathological or even visual foundation models to pathology-specific tasks via multi-modal prompt tuning. The proposed framework leverages Task-specific Visual Prompts and Task-specific Textual Prompts to identify task-relevant features, along with Instance-specific Visual Prompts for encoding single pathological image features. Results across multiple datasets at both patch-level and WSI-level demonstrate its superior performance over single-modality prompt tuning approaches. Significantly, PathoTune facilitates the direct adaptation of natural visual foundation models to pathological tasks, drastically outperforming pathological foundation models with simple linear probing. The code is available at https://github.com/openmedlab/PathoDuet.
Authors: Haijie Xu, Chen Zhang
Abstract: Contrasts with existing works which all consider nodes as functions and use edges to represent the relationships between different functions. We target at network modeling whose edges are functional data and transform the adjacency matrix into a functional adjacency tensor, introducing an additional dimension dedicated to function representation. Tucker functional decomposition is used for the functional adjacency tensor, and to further consider the community between nodes, we regularize the basis matrices to be symmetrical. Furthermore, to deal with irregular observations of the functional edges, we conduct model inference to solve a tensor completion problem. It is optimized by a Riemann conjugate gradient descent method. Besides these, we also derive several theorems to show the desirable properties of the functional edged network model. Finally, we evaluate the efficacy of our proposed model using simulation data and real metro system data from Hong Kong and Singapore.
Authors: Anna Vaughan, Stratis Markou, Will Tebbutt, James Requeima, Wessel P. Bruinsma, Tom R. Andersson, Michael Herzog, Nicholas D. Lane, Matthew Chantry, J. Scott Hosking, Richard E. Turner
Abstract: Weather forecasting is critical for a range of human activities including transportation, agriculture, industry, as well as the safety of the general public. Machine learning models have the potential to transform the complex weather prediction pipeline, but current approaches still rely on numerical weather prediction (NWP) systems, limiting forecast speed and accuracy. Here we demonstrate that a machine learning model can replace the entire operational NWP pipeline. Aardvark Weather, an end-to-end data-driven weather prediction system, ingests raw observations and outputs global gridded forecasts and local station forecasts. Further, it can be optimised end-to-end to maximise performance over quantities of interest. Global forecasts outperform an operational NWP baseline for multiple variables and lead times. Local station forecasts are skillful up to ten days lead time and achieve comparable and often lower errors than a post-processed global NWP baseline and a state-of-the-art end-to-end forecasting system with input from human forecasters. These forecasts are produced with a remarkably simple neural process model using just 8% of the input data and three orders of magnitude less compute than existing NWP and hybrid AI-NWP methods. We anticipate that Aardvark Weather will be the starting point for a new generation of end-to-end machine learning models for medium-range forecasting that will reduce computational costs by orders of magnitude and enable the rapid and cheap creation of bespoke models for users in a variety of fields, including for the developing world where state-of-the-art local models are not currently available.
Authors: Jesse Atuhurra, Hidetaka Kamigaito
Abstract: Natural language processing (NLP) has grown significantly since the advent of the Transformer architecture. Transformers have given birth to pre-trained large language models (PLMs). There has been tremendous improvement in the performance of NLP systems across several tasks. NLP systems are on par or, in some cases, better than humans at accomplishing specific tasks. However, it remains the norm that \emph{better quality datasets at the time of pretraining enable PLMs to achieve better performance, regardless of the task.} The need to have quality datasets has prompted NLP researchers to continue creating new datasets to satisfy particular needs. For example, the two top NLP conferences, ACL and EMNLP, accepted ninety-two papers in 2022, introducing new datasets. This work aims to uncover the trends and insights mined within these datasets. Moreover, we provide valuable suggestions to researchers interested in curating datasets in the future.
Authors: Tunazzina Islam, Dan Goldwasser
Abstract: The widespread use of social media has led to a surge in popularity for automated methods of analyzing public opinion. Supervised methods are adept at text categorization, yet the dynamic nature of social media discussions poses a continual challenge for these techniques due to the constant shifting of the focus. On the other hand, traditional unsupervised methods for extracting themes from public discourse, such as topic modeling, often reveal overarching patterns that might not capture specific nuances. Consequently, a significant portion of research into social media discourse still depends on labor-intensive manual coding techniques and a human-in-the-loop approach, which are both time-consuming and costly. In this work, we study the problem of discovering arguments associated with a specific theme. We propose a generic LLMs-in-the-Loop strategy that leverages the advanced capabilities of Large Language Models (LLMs) to extract latent arguments from social media messaging. To demonstrate our approach, we apply our framework to contentious topics. We use two publicly available datasets: (1) the climate campaigns dataset of 14k Facebook ads with 25 themes and (2) the COVID-19 vaccine campaigns dataset of 9k Facebook ads with 14 themes. Additionally, we design a downstream task as stance prediction by leveraging talking points in climate debates. Furthermore, we analyze demographic targeting and the adaptation of messaging based on real-world events.
Authors: Georgy Perevozchikov, Nancy Mehta, Mahmoud Afifi, Radu Timofte
Abstract: Modern smartphone camera quality heavily relies on the image signal processor (ISP) to enhance captured raw images, utilizing carefully designed modules to produce final output images encoded in a standard color space (e.g., sRGB). Neural-based end-to-end learnable ISPs offer promising advancements, potentially replacing traditional ISPs with their ability to adapt without requiring extensive tuning for each new camera model, as is often the case for nearly every module in traditional ISPs. However, the key challenge with the recent learning-based ISPs is the urge to collect large paired datasets for each distinct camera model due to the influence of intrinsic camera characteristics on the formation of input raw images. This paper tackles this challenge by introducing a novel method for unpaired learning of raw-to-raw translation across diverse cameras. Specifically, we propose Rawformer, an unsupervised Transformer-based encoder-decoder method for raw-to-raw translation. It accurately maps raw images captured by a certain camera to the target camera, facilitating the generalization of learnable ISPs to new unseen cameras. Our method demonstrates superior performance on real camera datasets, achieving higher accuracy compared to previous state-of-the-art techniques, and preserving a more robust correlation between the original and translated raw images. The codes and the pretrained models are available at https://github.com/gosha20777/rawformer.
Authors: Philip M\"uller, Georgios Kaissis, Daniel Rueckert
Abstract: Report generation models offer fine-grained textual interpretations of medical images like chest X-rays, yet they often lack interactivity (i.e. the ability to steer the generation process through user queries) and localized interpretability (i.e. visually grounding their predictions), which we deem essential for future adoption in clinical practice. While there have been efforts to tackle these issues, they are either limited in their interactivity by not supporting textual queries or fail to also offer localized interpretability. Therefore, we propose a novel multitask architecture and training paradigm integrating textual prompts and bounding boxes for diverse aspects like anatomical regions and pathologies. We call this approach the Chest X-Ray Explainer (ChEX). Evaluations across a heterogeneous set of 9 chest X-ray tasks, including localized image interpretation and report generation, showcase its competitiveness with SOTA models while additional analysis demonstrates ChEX's interactive capabilities. Code: https://github.com/philip-mueller/chex
Authors: Ben Tu, Nikolas Kantas, Robert M. Lee, Behrang Shafei
Abstract: Robust optimisation is a well-established framework for optimising functions in the presence of uncertainty. The inherent goal of this problem is to identify a collection of inputs whose outputs are both desirable for the decision maker, whilst also being robust to the underlying uncertainties in the problem. In this work, we study the multi-objective case of this problem. We identify that the majority of all robust multi-objective algorithms rely on two key operations: robustification and scalarisation. Robustification refers to the strategy that is used to account for the uncertainty in the problem. Scalarisation refers to the procedure that is used to encode the relative importance of each objective to a scalar-valued reward. As these operations are not necessarily commutative, the order that they are performed in has an impact on the resulting solutions that are identified and the final decisions that are made. The purpose of this work is to give a thorough exposition on the effects of these different orderings and in particular highlight when one should opt for one ordering over the other. As part of our analysis, we showcase how many existing risk concepts can be integrated into the specification and solution of a robust multi-objective optimisation problem. Besides this, we also demonstrate how one can principally define the notion of a robust Pareto front and a robust performance metric based on our ``robustify and scalarise'' methodology. To illustrate the efficacy of these new ideas, we present two insightful case studies which are based on real-world data sets.
Authors: Reihaneh Teimouri, Marta Kersten-Oertel, Yiming Xiao
Abstract: Efficient and accurate brain ventricle segmentation from clinical CT scans is critical for emergency surgeries like ventriculostomy. With the challenges in poor soft tissue contrast and a scarcity of well-annotated databases for clinical brain CTs, we introduce a novel uncertainty-aware ventricle segmentation technique without the need of CT segmentation ground truths by leveraging diffusion-model-based domain adaptation. Specifically, our method employs the diffusion Schr\"odinger Bridge and an attention recurrent residual U-Net to capitalize on unpaired CT and MRI scans to derive automatic CT segmentation from those of the MRIs, which are more accessible. Importantly, we propose an end-to-end, joint training framework of image translation and segmentation tasks, and demonstrate its benefit over training individual tasks separately. By comparing the proposed method against similar setups using two different GAN models for domain adaptation (CycleGAN and CUT), we also reveal the advantage of diffusion models towards improved segmentation and image translation quality. With a Dice score of 0.78$\pm$0.27, our proposed method outperformed the compared methods, including SynSeg-Net, while providing intuitive uncertainty measures to further facilitate quality control of the automatic segmentation outcomes. The implementation of our proposed method is available at: https://github.com/HealthX-Lab/DiffusionSynCTSeg.
Authors: Markus J. Buehler
Abstract: We present Cephalo, a series of multimodal vision large language models (V-LLMs) designed for materials science applications, integrating visual and linguistic data for enhanced understanding. A key innovation of Cephalo is its advanced dataset generation method. Cephalo is trained on integrated image and text data from thousands of scientific papers and science-focused Wikipedia data demonstrates can interpret complex visual scenes, generate precise language descriptions, and answer queries about images effectively. The combination of a vision encoder with an autoregressive transformer supports multimodal natural language understanding, which can be coupled with other generative methods to create an image-to-text-to-3D pipeline. To develop more capable models from smaller ones, we report both mixture-of-expert methods and model merging. We examine the models in diverse use cases that incorporate biological materials, fracture and engineering analysis, protein biophysics, and bio-inspired design based on insect behavior. Generative applications include bio-inspired designs, including pollen-inspired architected materials, as well as the synthesis of bio-inspired material microstructures from a photograph of a solar eclipse. Additional model fine-tuning with a series of molecular dynamics results demonstrate Cephalo's enhanced capabilities to accurately predict statistical features of stress and atomic energy distributions, as well as crack dynamics and damage in materials.
Authors: Thibaud Gloaguen, Nikola Jovanovi\'c, Robin Staab, Martin Vechev
Abstract: Watermarking has emerged as a promising way to detect LLM-generated text. To apply a watermark an LLM provider, given a secret key, augments generations with a signal that is later detectable by any party with the same key. Recent work has proposed three main families of watermarking schemes, two of which focus on the property of preserving the LLM distribution. This is motivated by it being a tractable proxy for maintaining LLM capabilities, but also by the idea that concealing a watermark deployment makes it harder for malicious actors to hide misuse by avoiding a certain LLM or attacking its watermark. Yet, despite much discourse around detectability, no prior work has investigated if any of these scheme families are detectable in a realistic black-box setting. We tackle this for the first time, developing rigorous statistical tests to detect the presence of all three most popular watermarking scheme families using only a limited number of black-box queries. We experimentally confirm the effectiveness of our methods on a range of schemes and a diverse set of open-source models. Our findings indicate that current watermarking schemes are more detectable than previously believed, and that obscuring the fact that a watermark was deployed may not be a viable way for providers to protect against adversaries. We further apply our methods to test for watermark presence behind the most popular public APIs: GPT4, Claude 3, Gemini 1.0 Pro, finding no strong evidence of a watermark at this point in time.
Authors: Bing Cao, Yinan Xia, Yi Ding, Changqing Zhang, Qinghua Hu
Abstract: Multimodal fusion is crucial in joint decision-making systems for rendering holistic judgments. Since multimodal data changes in open environments, dynamic fusion has emerged and achieved remarkable progress in numerous applications. However, most existing dynamic multimodal fusion methods lack theoretical guarantees and easily fall into suboptimal problems, yielding unreliability and instability. To address this issue, we propose a Predictive Dynamic Fusion (PDF) framework for multimodal learning. We proceed to reveal the multimodal fusion from a generalization perspective and theoretically derive the predictable Collaborative Belief (Co-Belief) with Mono- and Holo-Confidence, which provably reduces the upper bound of generalization error. Accordingly, we further propose a relative calibration strategy to calibrate the predicted Co-Belief for potential uncertainty. Extensive experiments on multiple benchmarks confirm our superiority. Our code is available at https://github.com/Yinan-Xia/PDF.
Authors: Minghong Fang, Zifan Zhang, Hairi, Prashant Khanduri, Jia Liu, Songtao Lu, Yuchen Liu, Neil Gong
Abstract: Federated learning (FL) enables multiple clients to collaboratively train machine learning models without revealing their private training data. In conventional FL, the system follows the server-assisted architecture (server-assisted FL), where the training process is coordinated by a central server. However, the server-assisted FL framework suffers from poor scalability due to a communication bottleneck at the server, and trust dependency issues. To address challenges, decentralized federated learning (DFL) architecture has been proposed to allow clients to train models collaboratively in a serverless and peer-to-peer manner. However, due to its fully decentralized nature, DFL is highly vulnerable to poisoning attacks, where malicious clients could manipulate the system by sending carefully-crafted local models to their neighboring clients. To date, only a limited number of Byzantine-robust DFL methods have been proposed, most of which are either communication-inefficient or remain vulnerable to advanced poisoning attacks. In this paper, we propose a new algorithm called BALANCE (Byzantine-robust averaging through local similarity in decentralization) to defend against poisoning attacks in DFL. In BALANCE, each client leverages its own local model as a similarity reference to determine if the received model is malicious or benign. We establish the theoretical convergence guarantee for BALANCE under poisoning attacks in both strongly convex and non-convex settings. Furthermore, the convergence rate of BALANCE under poisoning attacks matches those of the state-of-the-art counterparts in Byzantine-free settings. Extensive experiments also demonstrate that BALANCE outperforms existing DFL methods and effectively defends against poisoning attacks.
Authors: Yu-Jui Huang, Zachariah Malik
Abstract: This paper approaches the unsupervised learning problem by minimizing the second-order Wasserstein loss (the $W_2$ loss) through a distribution-dependent ordinary differential equation (ODE), whose dynamics involves the Kantorovich potential associated with the true data distribution and a current estimate of it. A main result shows that the time-marginal laws of the ODE form a gradient flow for the $W_2$ loss, which converges exponentially to the true data distribution. An Euler scheme for the ODE is proposed and it is shown to recover the gradient flow for the $W_2$ loss in the limit. An algorithm is designed by following the scheme and applying persistent training, which naturally fits our gradient-flow approach. In both low- and high-dimensional experiments, our algorithm outperforms Wasserstein generative adversarial networks by increasing the level of persistent training appropriately.
Authors: Jialiang Zhao, Yuxiang Ma, Lirui Wang, Edward H. Adelson
Abstract: This paper presents T3: Transferable Tactile Transformers, a framework for tactile representation learning that scales across multi-sensors and multi-tasks. T3 is designed to overcome the contemporary issue that camera-based tactile sensing is extremely heterogeneous, i.e. sensors are built into different form factors, and existing datasets were collected for disparate tasks. T3 captures the shared latent information across different sensor-task pairings by constructing a shared trunk transformer with sensor-specific encoders and task-specific decoders. The pre-training of T3 utilizes a novel Foundation Tactile (FoTa) dataset, which is aggregated from several open-sourced datasets and it contains over 3 million data points gathered from 13 sensors and 11 tasks. FoTa is the largest and most diverse dataset in tactile sensing to date and it is made publicly available in a unified format. Across various sensors and tasks, experiments show that T3 pre-trained with FoTa achieved zero-shot transferability in certain sensor-task pairings, can be further fine-tuned with small amounts of domain-specific data, and its performance scales with bigger network sizes. T3 is also effective as a tactile encoder for long horizon contact-rich manipulation. Results from sub-millimeter multi-pin electronics insertion tasks show that T3 achieved a task success rate 25% higher than that of policies trained with tactile encoders trained from scratch, or 53% higher than without tactile sensing. Data, code, and model checkpoints are open-sourced at https://t3.alanz.info.
URLs: https://t3.alanz.info.
Authors: Mohamed F. Mansour
Abstract: We describe a new method for estimating the direction of sound in a reverberant environment from basic principles of sound propagation. The method utilizes SNR-adaptive features from time-delay and energy of the directional components after acoustic wave decomposition of the observed sound field to estimate the line-of-sight direction under noisy and reverberant conditions. The effectiveness of the approach is established with measured data of different microphone array configurations under various usage scenarios.
Authors: Ahmed Heakl, Youssef Zaghloul, Mennatullah Ali, Rania Hossam, Walid Gomaa
Abstract: Motivated by the widespread increase in the phenomenon of code-switching between Egyptian Arabic and English in recent times, this paper explores the intricacies of machine translation (MT) and automatic speech recognition (ASR) systems, focusing on translating code-switched Egyptian Arabic-English to either English or Egyptian Arabic. Our goal is to present the methodologies employed in developing these systems, utilizing large language models such as LLama and Gemma. In the field of ASR, we explore the utilization of the Whisper model for code-switched Egyptian Arabic recognition, detailing our experimental procedures including data preprocessing and training techniques. Through the implementation of a consecutive speech-to-text translation system that integrates ASR with MT, we aim to overcome challenges posed by limited resources and the unique characteristics of the Egyptian Arabic dialect. Evaluation against established metrics showcases promising results, with our methodologies yielding a significant improvement of $56\%$ in English translation over the state-of-the-art and $9.3\%$ in Arabic translation. Since code-switching is deeply inherent in spoken languages, it is crucial that ASR systems can effectively handle this phenomenon. This capability is crucial for enabling seamless interaction in various domains, including business negotiations, cultural exchanges, and academic discourse. Our models and code are available as open-source resources. Code: \url{http://github.com/ahmedheakl/arazn-llm}}, Models: \url{http://huggingface.co/collections/ahmedheakl/arazn-llm-662ceaf12777656607b9524e}.
URLs: http://github.com/ahmedheakl/arazn-llm, http://huggingface.co/collections/ahmedheakl/arazn-llm-662ceaf12777656607b9524e
Authors: Ahmed Heakl, Youssef Mohamed, Noran Mohamed, Aly Elsharkawy, Ahmed Zaky
Abstract: The increasing reliance on online recruitment platforms coupled with the adoption of AI technologies has highlighted the critical need for efficient resume classification methods. However, challenges such as small datasets, lack of standardized resume templates, and privacy concerns hinder the accuracy and effectiveness of existing classification models. In this work, we address these challenges by presenting a comprehensive approach to resume classification. We curated a large-scale dataset of 13,389 resumes from diverse sources and employed Large Language Models (LLMs) such as BERT and Gemma1.1 2B for classification. Our results demonstrate significant improvements over traditional machine learning approaches, with our best model achieving a top-1 accuracy of 92\% and a top-5 accuracy of 97.5\%. These findings underscore the importance of dataset quality and advanced model architectures in enhancing the accuracy and robustness of resume classification systems, thus advancing the field of online recruitment practices.
Authors: Mohamed Sayed, Filippo Aleotti, Jamie Watson, Zawar Qureshi, Guillermo Garcia-Hernando, Gabriel Brostow, Sara Vicente, Michael Firman
Abstract: Estimating depth from a sequence of posed RGB images is a fundamental computer vision task, with applications in augmented reality, path planning etc. Prior work typically makes use of previous frames in a multi view stereo framework, relying on matching textures in a local neighborhood. In contrast, our model leverages historical predictions by giving the latest 3D geometry data as an extra input to our network. This self-generated geometric hint can encode information from areas of the scene not covered by the keyframes and it is more regularized when compared to individual predicted depth maps for previous frames. We introduce a Hint MLP which combines cost volume features with a hint of the prior geometry, rendered as a depth map from the current camera location, together with a measure of the confidence in the prior geometry. We demonstrate that our method, which can run at interactive speeds, achieves state-of-the-art estimates of depth and 3D scene reconstruction in both offline and incremental evaluation scenarios.
Authors: Pandiyaraju V, Shravan Venkatraman, Pavan Kumar S, Santhosh Malarvannan, Kannan A
Abstract: Breast cancer poses a profound threat to lives globally, claiming numerous lives each year. Therefore, timely detection is crucial for early intervention and improved chances of survival. Accurately diagnosing and classifying breast tumors using ultrasound images is a persistent challenge in medicine, demanding cutting-edge solutions for improved treatment strategies. This research introduces multiattention-enhanced deep learning (DL) frameworks designed for the classification and segmentation of breast cancer tumors from ultrasound images. A spatial channel attention mechanism is proposed for segmenting tumors from ultrasound images, utilizing a novel LinkNet DL framework with an InceptionResNet backbone. Following this, the paper proposes a deep convolutional neural network with an integrated multi-attention framework (DCNNIMAF) to classify the segmented tumor as benign, malignant, or normal. From experimental results, it is observed that the segmentation model has recorded an accuracy of 98.1%, with a minimal loss of 0.6%. It has also achieved high Intersection over Union (IoU) and Dice Coefficient scores of 96.9% and 97.2%, respectively. Similarly, the classification model has attained an accuracy of 99.2%, with a low loss of 0.31%. Furthermore, the classification framework has achieved outstanding F1-Score, precision, and recall values of 99.1%, 99.3%, and 99.1%, respectively. By offering a robust framework for early detection and accurate classification of breast cancer, this proposed work significantly advances the field of medical image analysis, potentially improving diagnostic precision and patient outcomes.
Authors: Zhimin Zhao, Abdul Ali Bangash, Filipe Roseiro C\^ogo, Bram Adams, Ahmed E. Hassan
Abstract: Foundation models (FM), such as large language models (LLMs), which are large-scale machine learning (ML) models, have demonstrated remarkable adaptability in various downstream software engineering (SE) tasks, such as code completion, code understanding, and software development. As a result, FM leaderboards, especially those hosted on cloud platforms, have become essential tools for SE teams to compare and select the best third-party FMs for their specific products and purposes. However, the lack of standardized guidelines for FM evaluation and comparison threatens the transparency of FM leaderboards and limits stakeholders' ability to perform effective FM selection. As a first step towards addressing this challenge, our research focuses on understanding how these FM leaderboards operate in real-world scenarios ("leaderboard operations") and identifying potential leaderboard pitfalls and areas for improvement ("leaderboard smells"). In this regard, we perform a multivocal literature review to collect up to 721 FM leaderboards, after which we examine their documentation and engage in direct communication with leaderboard operators to understand their workflow patterns. Using card sorting and negotiated agreement, we identify 5 unique workflow patterns and develop a domain model that outlines the essential components and their interaction within FM leaderboards. We then identify 8 unique types of leaderboard smells in LBOps. By mitigating these smells, SE teams can improve transparency, accountability, and collaboration in current LBOps practices, fostering a more robust and responsible ecosystem for FM comparison and selection.
Authors: Pranshav Gajjar, Vijay K. Shah
Abstract: Large Language Models (LLMs) can revolutionize how we deploy and operate Open Radio Access Networks (O-RAN) by enhancing network analytics, anomaly detection, and code generation and significantly increasing the efficiency and reliability of a plethora of O-RAN tasks. In this paper, we present ORAN-Bench-13K, the first comprehensive benchmark designed to evaluate the performance of Large Language Models (LLMs) within the context of O-RAN. Our benchmark consists of 13,952 meticulously curated multiple-choice questions generated from 116 O-RAN specification documents. We leverage a novel three-stage LLM framework, and the questions are categorized into three distinct difficulties to cover a wide spectrum of ORAN-related knowledge. We thoroughly evaluate the performance of several state-of-the-art LLMs, including Gemini, Chat-GPT, and Mistral. Additionally, we propose ORANSight, a Retrieval-Augmented Generation (RAG)-based pipeline that demonstrates superior performance on ORAN-Bench-13K compared to other tested closed-source models. Our findings indicate that current popular LLM models are not proficient in O-RAN, highlighting the need for specialized models. We observed a noticeable performance improvement when incorporating the RAG-based ORANSight pipeline, with a Macro Accuracy of 0.784 and a Weighted Accuracy of 0.776, which was on average 21.55% and 22.59% better than the other tested LLMs.
Authors: Archisman Ghosh, Swaroop Ghosh
Abstract: Quantum Machine Learning (QML) amalgamates quantum computing paradigms with machine learning models, providing significant prospects for solving complex problems. However, with the expansion of numerous third-party vendors in the Noisy Intermediate-Scale Quantum (NISQ) era of quantum computing, the security of QML models is of prime importance, particularly against reverse engineering, which could expose trained parameters and algorithms of the models. We assume the untrusted quantum cloud provider is an adversary having white-box access to the transpiled user-designed trained QML model during inference. Reverse engineering (RE) to extract the pre-transpiled QML circuit will enable re-transpilation and usage of the model for various hardware with completely different native gate sets and even different qubit technology. Such flexibility may not be obtained from the transpiled circuit which is tied to a particular hardware and qubit technology. The information about the number of parameters, and optimized values can allow further training of the QML model to alter the QML model, tamper with the watermark, and/or embed their own watermark or refine the model for other purposes. In this first effort to investigate the RE of QML circuits, we perform RE and compare the training accuracy of original and reverse-engineered Quantum Neural Networks (QNNs) of various sizes. We note that multi-qubit classifiers can be reverse-engineered under specific conditions with a mean error of order 1e-2 in a reasonable time. We also propose adding dummy fixed parametric gates in the QML models to increase the RE overhead for defense. For instance, adding 2 dummy qubits and 2 layers increases the overhead by ~1.76 times for a classifier with 2 qubits and 3 layers with a performance overhead of less than 9%. We note that RE is a very powerful attack model which warrants further efforts on defenses.
Authors: Baptiste Chatelier (IETR, MERCE-France, INSA Rennes), Vincent Corlay (MERCE-France), Matthieu Crussi\`ere (IETR, INSA Rennes), Luc Le Magoarou (IETR, INSA Rennes)
Abstract: Years of study of the propagation channel showed a close relation between a location and the associated communication channel response. The use of a neural network to learn the location-to-channel mapping can therefore be envisioned. The Implicit Neural Representation (INR) literature showed that classical neural architecture are biased towards learning low-frequency content, making the location-to-channel mapping learning a non-trivial problem. Indeed, it is well known that this mapping is a function rapidly varying with the location, on the order of the wavelength. This paper leverages the model-based machine learning paradigm to derive a problem-specific neural architecture from a propagation channel model. The resulting architecture efficiently overcomes the spectral-bias issue. It only learns low-frequency sparse correction terms activating a dictionary of high-frequency components. The proposed architecture is evaluated against classical INR architectures on realistic synthetic data, showing much better accuracy. Its mapping learning performance is explained based on the approximated channel model, highlighting the explainability of the model-based machine learning paradigm.
Authors: Matteo Carli, Alex Rodriguez, Alessandro Laio, Aldo Glielmo
Abstract: We introduce the Binless Multidimensional Thermodynamic Integration (BMTI) method for nonparametric, robust, and data-efficient density estimation. BMTI estimates the logarithm of the density by initially computing log-density differences between neighbouring data points. Subsequently, such differences are integrated, weighted by their associated uncertainties, using a maximum-likelihood formulation. This procedure can be seen as an extension to a multidimensional setting of the thermodynamic integration, a technique developed in statistical physics. The method leverages the manifold hypothesis, estimating quantities within the intrinsic data manifold without defining an explicit coordinate map. It does not rely on any binning or space partitioning, but rather on the construction of a neighbourhood graph based on an adaptive bandwidth selection procedure. BMTI mitigates the limitations commonly associated with traditional nonparametric density estimators, effectively reconstructing smooth profiles even in high-dimensional embedding spaces. The method is tested on a variety of complex synthetic high-dimensional datasets, where it is shown to outperform traditional estimators, and is benchmarked on realistic datasets from the chemical physics literature.
Authors: Micha{\l} Zawalski, William Chen, Karl Pertsch, Oier Mees, Chelsea Finn, Sergey Levine
Abstract: A key limitation of learned robot control policies is their inability to generalize outside their training data. Recent works on vision-language-action models (VLAs) have shown that the use of large, internet pre-trained vision-language models as the backbone of learned robot policies can substantially improve their robustness and generalization ability. Yet, one of the most exciting capabilities of large vision-language models in other domains is their ability to reason iteratively through complex problems. Can that same capability be brought into robotics to allow policies to improve performance by reasoning about a given task before acting? Naive use of "chain-of-thought" (CoT) style prompting is significantly less effective with standard VLAs because of the relatively simple training examples that are available to them. Additionally, purely semantic reasoning about sub-tasks, as is common in regular CoT, is insufficient for robot policies that need to ground their reasoning in sensory observations and the robot state. To this end, we introduce Embodied Chain-of-Thought Reasoning (ECoT) for VLAs, in which we train VLAs to perform multiple steps of reasoning about plans, sub-tasks, motions, and visually grounded features like object bounding boxes and end effector positions, before predicting the robot action. We design a scalable pipeline for generating synthetic training data for ECoT on large robot datasets. We demonstrate, that ECoT increases the absolute success rate of OpenVLA, the current strongest open-source VLA policy, by 28% across challenging generalization tasks, without any additional robot training data. Additionally, ECoT makes it easier for humans to interpret a policy's failures and correct its behavior using natural language.
Authors: Timothee Chauvin
Abstract: Long contexts of recent LLMs have enabled a new use case: asking models to find security vulnerabilities in entire codebases. To evaluate model performance on this task, we introduce eyeballvul: a benchmark designed to test the vulnerability detection capabilities of language models at scale, that is sourced and updated weekly from the stream of published vulnerabilities in open-source repositories. The benchmark consists of a list of revisions in different repositories, each associated with the list of known vulnerabilities present at that revision. An LLM-based scorer is used to compare the list of possible vulnerabilities returned by a model to the list of known vulnerabilities for each revision. As of July 2024, eyeballvul contains 24,000+ vulnerabilities across 6,000+ revisions and 5,000+ repositories, and is around 55GB in size.