Authors: Axel Faes, Ashkan Pirmani, Yves Moreau, Liesbet M. Peeters
Abstract: Block-Term Tensor Regression (BTTR) has proven to be a powerful tool for modeling complex, high-dimensional data by leveraging multilinear relationships, making it particularly well-suited for applications in healthcare and neuroscience. However, traditional implementations of BTTR rely on centralized datasets, which pose significant privacy risks and hinder collaboration across institutions. To address these challenges, we introduce Federated Block-Term Tensor Regression (FBTTR), an extension of BTTR designed for federated learning scenarios. FBTTR enables decentralized data analysis, allowing institutions to collaboratively build predictive models while preserving data privacy and complying with regulations. FBTTR represents a major step forward in applying tensor regression to federated learning environments. Its performance is evaluated in two case studies: finger movement decoding from Electrocorticography (ECoG) signals and heart disease prediction. In the first case study, using the BCI Competition IV dataset, FBTTR outperforms non-multilinear models, demonstrating superior accuracy in decoding finger movements. For the dataset, for subject 3, the thumb obtained a performance of 0.76 $\pm$ .05 compared to 0.71 $\pm$ 0.05 for centralised BTTR. In the second case study, FBTTR is applied to predict heart disease using real-world clinical datasets, outperforming both standard federated learning approaches and centralized BTTR models. In the Fed-Heart-Disease Dataset, an AUC-ROC was obtained of 0.872 $\pm$ 0.02 and an accuracy of 0.772 $\pm$ 0.02 compared to 0.812 $\pm$ 0.003 and 0.753 $\pm$ 0.007 for the centralized model.
Authors: Andrew Charbonneau, Katherine Deck, Tapio Schneider
Abstract: This paper presents a physics-constrained neural differential equation framework for parameterization, and employs it to model the time evolution of seasonal snow depth given hydrometeorological forcings. When trained on data from multiple SNOTEL sites, the parameterization predicts daily snow depth with under 9% median error and Nash Sutcliffe Efficiencies over 0.94 across a wide variety of snow climates. The parameterization also generalizes to new sites not seen during training, which is not often true for calibrated snow models. Requiring the parameterization to predict snow water equivalent in addition to snow depth only increases error to ~12%. The structure of the approach guarantees the satisfaction of physical constraints, enables these constraints during model training, and allows modeling at different temporal resolutions without additional retraining of the parameterization. These benefits hold potential in climate modeling, and could extend to other dynamical systems with physical constraints.
Authors: Oscar Lares, Hao Zhen, Jidong J. Yang
Abstract: Reliable and interpretable traffic crash modeling is essential for understanding causality and improving road safety. This study introduces a novel approach to predicting collision types by utilizing a comprehensive dataset fused from multiple sources, including weather data, crash reports, high-resolution traffic information, pavement geometry, and facility characteristics. Central to our approach is the development of a Feature Group Tabular Transformer (FGTT) model, which organizes disparate data into meaningful feature groups, represented as tokens. These group-based tokens serve as rich semantic components, enabling effective identification of collision patterns and interpretation of causal mechanisms. The FGTT model is benchmarked against widely used tree ensemble models, including Random Forest, XGBoost, and CatBoost, demonstrating superior predictive performance. Furthermore, model interpretation reveals key influential factors, providing fresh insights into the underlying causality of distinct crash types.
Authors: Avinash Anand, Kritarth Prasad, Chhavi Kirtani, Ashwin R Nair, Mohit Gupta, Saloni Garg, Anurag Gautam, Snehal Buldeo, Rajiv Ratn Shah
Abstract: Large Language Models (LLMs) have demonstrated strong capabilities in text-based tasks but struggle with the complex reasoning required for physics problems, particularly in advanced arithmetic and conceptual understanding. While some research has explored ways to enhance LLMs in physics education using techniques such as prompt engineering and Retrieval Augmentation Generation (RAG), not enough effort has been made in addressing their limitations in physics reasoning. This paper presents a novel approach to improving LLM performance on physics questions using Reinforcement Learning with Human and Artificial Intelligence Feedback (RLHAIF). We evaluate several reinforcement learning methods, including Proximal Policy Optimization (PPO), Direct Preference Optimization (DPO), and Remax optimization. These methods are chosen to investigate RL policy performance with different settings on the PhyQA dataset, which includes challenging physics problems from high school textbooks. Our RLHAIF model, tested on leading LLMs like LLaMA2 and Mistral, achieved superior results, notably with the MISTRAL-PPO model, demonstrating marked improvements in reasoning and accuracy. It achieved high scores, with a 58.67 METEOR score and a 0.74 Reasoning score, making it a strong example for future physics reasoning research in this area.
Authors: Natalie Brownlowe, Christopher R. Cornwell, Ethan Montes, Gabriel Quijano, Na Zhang
Abstract: The choice of architecture of a neural network influences which functions will be realizable by that neural network and, as a result, studying the expressiveness of a chosen architecture has received much attention. In ReLU neural networks, the presence of stably unactivated neurons can reduce the network's expressiveness. In this work, we investigate the probability of a neuron in the second hidden layer of such neural networks being stably unactivated when the weights and biases are initialized from symmetric probability distributions. For networks with input dimension $n_0$, we prove that if the first hidden layer has $n_0+1$ neurons then this probability is exactly $\frac{2^{n_0}+1}{4^{n_0+1}}$, and if the first hidden layer has $n_1$ neurons, $n_1 \le n_0$, then the probability is $\frac{1}{2^{n_1+1}}$. Finally, for the case when the first hidden layer has more neurons than $n_0+1$, a conjecture is proposed along with the rationale. Computational evidence is presented to support the conjecture.
Authors: Yidong Chai, Kangwei Shi, Jiaheng Xie, Chunli Liu, Yuanchun Jiang, Yezheng Liu
Abstract: Fake news on social media platforms poses a significant threat to societal systems, underscoring the urgent need for advanced detection methods. The existing detection methods can be divided into machine intelligence-based, crowd intelligence-based, and hybrid intelligence-based methods. Among them, hybrid intelligence-based methods achieve the best performance but fail to consider the reliability issue in detection. In light of this, we propose a novel Reliability Aware Hybrid Intelligence (RAHI) method for fake news detection. Our method comprises three integral modules. The first module employs a Bayesian deep learning model to capture the inherent reliability within machine intelligence. The second module uses an Item Response Theory (IRT)-based user response aggregation to account for the reliability in crowd intelligence. The third module introduces a new distribution fusion mechanism, which takes the distributions derived from both machine and crowd intelligence as input, and outputs a fused distribution that provides predictions along with the associated reliability. The experiments on the Weibo dataset demonstrate the advantages of our method. This study contributes to the research field with a novel RAHI-based method, and the code is shared at https://github.com/Kangwei-g/RAHI. This study has practical implications for three key stakeholders: internet users, online platform managers, and the government.
Authors: Jun Feng, Xueyi Liu, Jiamin Lu, Pingping Shao
Abstract: Accurate flood prediction is crucial for disaster prevention and mitigation. Hydrological data exhibit highly nonlinear temporal patterns and encompass complex spatial relationships between rainfall and flow. Existing flood prediction models struggle to capture these intricate temporal features and spatial dependencies. This paper presents an adaptive periodic and spatial self-attention method based on LSTM (APS-LSTM) to address these challenges. The APS-LSTM learns temporal features from a multi-periodicity perspective and captures diverse spatial dependencies from different period divisions. The APS-LSTM consists of three main stages, (i) Multi-Period Division, that utilizes Fast Fourier Transform (FFT) to divide various periodic patterns; (ii) Spatio-Temporal Information Extraction, that performs periodic and spatial self-attention focusing on intra- and inter-periodic temporal patterns and spatial dependencies; (iii) Adaptive Aggregation, that relies on amplitude strength to aggregate the computational results from each periodic division. The abundant experiments on two real-world datasets demonstrate the superiority of APS-LSTM. The code is available: https://github.com/oopcmd/APS-LSTM.
Authors: Akhila Mamillapalli, Bayode Ogunleye, Sonia Timoteo Inacio, Olamilekan Shobayo
Abstract: Stock price prediction is challenging due to global economic instability, high volatility, and the complexity of financial markets. Hence, this study compared several machine learning algorithms for stock market prediction and further examined the influence of a sentiment analysis indicator on the prediction of stock prices. Our results were two-fold. Firstly, we used a lexicon-based sentiment analysis approach to identify sentiment features, thus evidencing the correlation between the sentiment indicator and stock price movement. Secondly, we proposed the use of GRUvader, an optimal gated recurrent unit network, for stock market prediction. Our findings suggest that stand-alone models struggled compared with AI-enhanced models. Thus, our paper makes further recommendations on latter systems.
Authors: Olamilekan Shobayo, Sidikat Adeyemi-Longe, Olusogo Popoola, Bayode Ogunleye
Abstract: This study explores the comparative performance of cutting-edge AI models, i.e., Finaance Bidirectional Encoder representations from Transsformers (FinBERT), Generatice Pre-trained Transformer GPT-4, and Logistic Regression, for sentiment analysis and stock index prediction using financial news and the NGX All-Share Index data label. By leveraging advanced natural language processing models like GPT-4 and FinBERT, alongside a traditional machine learning model, Logistic Regression, we aim to classify market sentiment, generate sentiment scores, and predict market price movements. This research highlights global AI advancements in stock markets, showcasing how state-of-the-art language models can contribute to understanding complex financial data. The models were assessed using metrics such as accuracy, precision, recall, F1 score, and ROC AUC. Results indicate that Logistic Regression outperformed the more computationally intensive FinBERT and predefined approach of versatile GPT-4, with an accuracy of 81.83% and a ROC AUC of 89.76%. The GPT-4 predefined approach exhibited a lower accuracy of 54.19% but demonstrated strong potential in handling complex data. FinBERT, while offering more sophisticated analysis, was resource-demanding and yielded a moderate performance. Hyperparameter optimization using Optuna and cross-validation techniques ensured the robustness of the models. This study highlights the strengths and limitations of the practical applications of AI approaches in stock market prediction and presents Logistic Regression as the most efficient model for this task, with FinBERT and GPT-4 representing emerging tools with potential for future exploration and innovation in AI-driven financial analytics
Authors: Lekai Song, Pengyu Liu, Yang Liu, Jingfang Pei, Wenyu Cui, Songwei Liu, Yingyi Wen, Teng Ma, Kong-Pang Pun, Guohua Hu
Abstract: Brains perform timely reliable decision-making by Bayes theorem. Bayes theorem quantifies events as probabilities and, through probability rules, renders the decisions. Learning from this, applying Bayes theorem in practical problems can visualize the potential risks and decision confidence, thereby enabling efficient user-scene interactions. However, given the probabilistic nature, implementing Bayes theorem with the conventional deterministic computing can inevitably induce excessive computational cost and decision latency. Herein, we propose a probabilistic computing approach using memristors to implement Bayes theorem. We integrate volatile memristors with Boolean logics and, by exploiting the volatile stochastic switching of the memristors, realize Boolean operations with statistical probabilities and correlations, key for enabling Bayes theorem. To practically demonstrate the effectiveness of our memristor-enabled Bayes theorem approach in user-scene interactions, we design lightweight Bayesian inference and fusion operators using our probabilistic logics and apply the operators in road scene parsing for self-driving, including route planning and obstacle detection. The results show that our operators can achieve reliable decisions at a rate over 2,500 frames per second, outperforming human decision-making and the existing driving assistance systems.
Authors: Naoya Arakawa
Abstract: This report proposes a neural cognitive model for discovering regularities in event sequences. In a fluid intelligence task, the subject is required to discover regularities from relatively short-term memory of the first-seen task. Some fluid intelligence tasks require discovering regularities in event sequences. Thus, a neural network model was constructed to explain fluid intelligence or regularity discovery in event sequences with relatively short-term memory. The model was implemented and tested with delayed match-to-sample tasks.
Authors: Andrea Avogaro, Luigi Capogrosso, Franco Fummi, Marco Cristani
Abstract: The fast fashion industry suffers from significant environmental impacts due to overproduction and unsold inventory. Accurately predicting sales volumes for unreleased products could significantly improve efficiency and resource utilization. However, predicting performance for entirely new items is challenging due to the lack of historical data and rapidly changing trends, and existing deterministic models often struggle with domain shifts when encountering items outside the training data distribution. The recently proposed diffusion models address this issue using a continuous-time diffusion process. This allows us to simulate how new items are adopted, reducing the impact of domain shift challenges faced by deterministic models. As a result, in this paper, we propose MDiFF: a novel two-step multimodal diffusion models-based pipeline for New Fashion Product Performance Forecasting (NFPPF). First, we use a score-based diffusion model to predict multiple future sales for different clothes over time. Then, we refine these multiple predictions with a lightweight Multi-layer Perceptron (MLP) to get the final forecast. MDiFF leverages the strengths of both architectures, resulting in the most accurate and efficient forecasting system for the fast-fashion industry at the state-of-the-art. The code can be found at https://github.com/intelligolabs/MDiFF.
Authors: Arturo Rodriguez, Ashesh Chattopadhyay, Piyush Kumar, Luis F. Rodriguez, Vinod Kumar
Abstract: Physics-informed neural networks (PINNs) commonly address ill-posed inverse problems by uncovering unknown physics. This study presents a novel unsupervised learning framework that identifies spatial subdomains with specific governing physics. It uses the partition of unity networks (POUs) to divide the space into subdomains, assigning unique nonlinear model parameters to each, which are integrated into the physics model. A vital feature of this method is a physics residual-based loss function that detects variations in physical properties without requiring labeled data. This approach enables the discovery of spatial decompositions and nonlinear parameters in partial differential equations (PDEs), optimizing the solution space by dividing it into subdomains and improving accuracy. Its effectiveness is demonstrated through applications in porous media thermal ablation and ice-sheet modeling, showcasing its potential for tackling real-world physics challenges.
Authors: Roman Smirnov
Abstract: The paper describes LLM unlearning without a retaining dataset, using the ORPO reinforcement learning method with inference enhanced by modified classifier-free guidance. Significant improvement in unlearning, without degradation of the model, is achieved through direct training on synthetic replacement data in CFG-aware training regime, with classifier-free guidance applied during the inference. This article is an extended version of the NeurIPS 2024 LLM-PC submission, which was awarded second prize.
Authors: Haotong Yang, Xiyuan Wang, Qian Tao, Shuxian Hu, Zhouchen Lin, Muhan Zhang
Abstract: Recent research on integrating Large Language Models (LLMs) with Graph Neural Networks (GNNs) typically follows two approaches: LLM-centered models, which convert graph data into tokens for LLM processing, and GNN-centered models, which use LLMs to encode text features into node and edge representations for GNN input. LLM-centered models often struggle to capture graph structures effectively, while GNN-centered models compress variable-length textual data into fixed-size vectors, limiting their ability to understand complex semantics. Additionally, GNN-centered approaches require converting tasks into a uniform, manually-designed format, restricting them to classification tasks and preventing language output. To address these limitations, we introduce a new architecture that deeply integrates GNN with LLM, featuring three key innovations: (1) Structure-Aware Transformers, which incorporate GNN's message-passing capabilities directly into LLM's transformer layers, allowing simultaneous processing of textual and structural information and generating outputs from both GNN and LLM; (2) Graph-Text Cross-Attention, which processes full, uncompressed text from graph nodes and edges, ensuring complete semantic integration; and (3) GNN-LLM Twin Predictor, enabling LLM's flexible autoregressive generation alongside GNN's scalable one-pass prediction. GL-Fusion achieves outstand performance on various tasks. Notably, it achieves state-of-the-art performance on OGBN-Arxiv and OGBG-Code2.
Authors: Huajian Feng, Guoxiao Zhang, Yadong Zhang, Yi We, Qiang Liu
Abstract: Accurate post-click conversion rate (CVR) estimation is crucial for online advertising systems. Despite significant advances in causal approaches designed to address the Sample Selection Bias problem, CVR estimation still faces challenges due to Covariate Shift. Given the intrinsic connection between the distribution of covariates in the click and non-click spaces, this study proposes an Exposure-Guided Embedding Alignment Network (EGEAN) to address estimation bias caused by covariate shift. Additionally, we propose a Parameter Varying Doubly Robust Estimator with steady-state control to handle small propensities better. Online A/B tests conducted on the Meituan advertising system demonstrate that our method significantly outperforms baseline models with respect to CVR and GMV, validating its effectiveness. Code is available: https://github.com/hydrogen-maker/EGEAN.
Authors: Pritam Anand, Tathagata Bandyopadhyay, Suresh Chandra
Abstract: This paper proposes a novel loss function, called 'Tube Loss', for simultaneous estimation of bounds of a Prediction Interval (PI) in the regression setup, and also for generating probabilistic forecasts from time series data solving a single optimization problem. The PIs obtained by minimizing the empirical risk based on the Tube Loss are shown to be of better quality than the PIs obtained by the existing methods in the following sense. First, it yields intervals that attain the prespecified confidence level $t \in(0,1)$ asymptotically. A theoretical proof of this fact is given. Secondly, the user is allowed to move the interval up or down by controlling the value of a parameter. This helps the user to choose a PI capturing denser regions of the probability distribution of the response variable inside the interval, and thus, sharpening its width. This is shown to be especially useful when the conditional distribution of the response variable is skewed. Further, the Tube Loss based PI estimation method can trade-off between the coverage and the average width by solving a single optimization problem. It enables further reduction of the average width of PI through re-calibration. Also, unlike a few existing PI estimation methods the gradient descent (GD) method can be used for minimization of empirical risk. Finally, through extensive experimentation, we have shown the efficacy of the Tube Loss based PI estimation in kernel machines, neural networks and deep networks and also for probabilistic forecasting tasks. The codes of the experiments are available at https://github.com/ltpritamanand/Tube_loss
Authors: Danylo Kolesnyk, Yelyzaveta Vodovozova
Abstract: Modern approaches to generative modeling of continuous data using tensor networks incorporate compression layers to capture the most meaningful features of high-dimensional inputs. These methods, however, rely on traditional Matrix Product States (MPS) architectures. Here, we demonstrate that beyond a certain threshold in data and bond dimensions, a comb-shaped tensor network architecture can yield more efficient contractions than a standard MPS. This finding suggests that for continuous and high-dimensional data distributions, transitioning from MPS to a comb tensor network representation can substantially reduce computational overhead while maintaining accuracy.
Authors: Dongwei Wang, Huanrui Yang
Abstract: Quantization is a critical step to enable efficient LLM serving under limited resource. However, previous research observes that certain weights in the LLM, known as outliers, are significantly sensitive to quantization noises. Existing quantization methods leave these outliers as floating points or higher precisions to retain performance, posting challenges on the efficient hardware deployment of the mixed-precision model. This work investigates an alternative way to tame the sensitive weights' impact on the quantization error, by reducing the loss Hessian trace with respect to outliers through an efficient fine-tuning process. We propose Noise Perturbation Fine-tuning (NPFT), which identifies outlier weights and add random weight perturbations on the outliers as the model going through a PEFT optimization. NPFT tames the sensitivity of outlier weights so that the quantized model performance can be improved without special treatment to the outliers. When applied to OPT and LLaMA models, our NPFT method achieves stable performance improvements for both uniform and non-uniform quantizers, while also offering better inference efficiency. Notably, the simplest RTN can achieve performance on par with GPTQ using our NPFT on LLaMA2-7B-4bits benchmark.
Authors: Mohamed R. Ibrahim, Josef Musil, Irene Gallou
Abstract: In the domain of architectural design, the foundational essence of creativity and human intelligence lies in the mastery of solving floorplans, a skill demanding distinctive expertise and years of experience. Traditionally, the architectural design process of creating floorplans often requires substantial manual labour and architectural expertise. Even when relying on parametric design approaches, the process is limited based on the designer's ability to build a complex set of parameters to iteratively explore design alternatives. As a result, these approaches hinder creativity and limit discovery of an optimal solution. Here, we present a generative latent diffusion model that learns to generate floorplans for various building types based on building footprints and design briefs. The introduced model learns from the complexity of the inter-connections between diverse building types and the mutations of architectural designs. By harnessing the power of latent diffusion models, this research surpasses conventional limitations in the design process. The model's ability to learn from diverse building types means that it cannot only replicate existing designs but also produce entirely new configurations that fuse design elements in unexpected ways. This innovation introduces a new dimension of creativity into architectural design, allowing architects, urban planners and even individuals without specialised expertise to explore uncharted territories of form and function with speed and cost-effectiveness.
Authors: Guoxiao Zhang, Yi Wei, Yadong Zhang, Huajian Feng, Qiang Liu
Abstract: Click-Through Rate (CTR) prediction is essential in online advertising, where semantic information plays a pivotal role in shaping user decisions and enhancing CTR effectiveness. Capturing and modeling deep semantic information, such as a user's preference for "H\"aagen-Dazs' HEAVEN strawberry light ice cream" due to its health-conscious and premium attributes, is challenging. Traditional semantic modeling often overlooks these intricate details at the user and item levels. To bridge this gap, we introduce a novel approach that models deep semantic information end-to-end, leveraging the comprehensive world knowledge capabilities of Large Language Models (LLMs). Our proposed LLM-infused CTR prediction framework(Multi-level Deep Semantic Information Infused CTR model via Distillation, MSD) is designed to uncover deep semantic insights by utilizing LLMs to extract and distill critical information into a smaller, more efficient model, enabling seamless end-to-end training and inference. Importantly, our framework is carefully designed to balance efficiency and effectiveness, ensuring that the model not only achieves high performance but also operates with optimal resource utilization. Online A/B tests conducted on the Meituan sponsored-search system demonstrate that our method significantly outperforms baseline models in terms of Cost Per Mile (CPM) and CTR, validating its effectiveness, scalability, and balanced approach in real-world applications.
Authors: Zijian Zhao, Fanyi Meng, Hang Li, Xiaoyang Li, Guangxu Zhu
Abstract: Channel State Information (CSI) is the cornerstone in both wireless communication and sensing systems. In wireless communication systems, CSI provides essential insights into channel conditions, enabling system optimizations like channel compensation and dynamic resource allocation. However, the high computational complexity of CSI estimation algorithms necessitates the development of fast deep learning methods for CSI prediction. In wireless sensing systems, CSI can be leveraged to infer environmental changes, facilitating various functions, including gesture recognition and people identification. Deep learning methods have demonstrated significant advantages over model-based approaches in these fine-grained CSI classification tasks, particularly when classes vary across different scenarios. However, a major challenge in training deep learning networks for wireless systems is the limited availability of data, further complicated by the diverse formats of many public datasets, which hinder integration. Additionally, collecting CSI data can be resource-intensive, requiring considerable time and manpower. To address these challenges, we propose CSI-BERT2 for CSI prediction and classification tasks, effectively utilizing limited data through a pre-training and fine-tuning approach. Building on CSI-BERT1, we enhance the model architecture by introducing an Adaptive Re-Weighting Layer (ARL) and a Multi-Layer Perceptron (MLP) to better capture sub-carrier and timestamp information, effectively addressing the permutation-invariance problem. Furthermore, we propose a Mask Prediction Model (MPM) fine-tuning method to improve the model's adaptability for CSI prediction tasks. Experimental results demonstrate that CSI-BERT2 achieves state-of-the-art performance across all tasks.
Authors: Jianhua Yao, Yuxin Dong, Jiajing Wang, Bingxing Wang, Hongye Zheng, Honglin Qin
Abstract: This paper introduces a novel approach to stock data analysis by employing a Hierarchical Graph Neural Network (HGNN) model that captures multi-level information and relational structures in the stock market. The HGNN model integrates stock relationship data and hierarchical attributes to predict stock types effectively. The paper discusses the construction of a stock industry relationship graph and the extraction of temporal information from historical price sequences. It also highlights the design of a graph convolution operation and a temporal attention aggregator to model the macro market state. The integration of these features results in a comprehensive stock prediction model that addresses the challenges of utilizing stock relationship data and modeling hierarchical attributes in the stock market.
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Fangmin Liu
Abstract: Post-Training Quantization (PTQ) converts pre-trained Full-Precision (FP) models into quantized versions without training. While existing methods reduce size and computational costs, they also significantly degrade performance and quantization efficiency at extremely low settings due to quantization noise. We introduce a deep model series expansion framework to address this issue, enabling rapid and accurate approximation of unquantized models without calibration sets or fine-tuning. This is the first use of series expansion for neural network quantization. Specifically, our method expands the FP model into multiple low-bit basis models. To ensure accurate quantization, we develop low-bit basis model expansions at different granularities (tensor, layer, model), and theoretically confirm their convergence to the dense model, thus restoring FP model accuracy. Additionally, we design AbelianAdd/Mul operations between isomorphic models in the low-bit expansion, forming an Abelian group to ensure operation parallelism and commutativity. The experiments show that our algorithm achieves state-of-the-art performance in low-bit settings; for example, 4-bit quantization of ResNet-50 surpasses the original accuracy, reaching 77.03%. The code will be made public.
Authors: Ibrahim Delibasoglu Sanjay Chakraborty Fredrik Heintz
Abstract: Time series forecasting is an important challenge with significant applications in areas such as weather prediction, stock market analysis, scientific simulations and industrial process analysis. In this work, we introduce LMS-AutoTSF, a novel time series forecasting architecture that incorporates autocorrelation while leveraging dual encoders operating at multiple scales. Unlike models that rely on predefined trend and seasonal components, LMS-AutoTSF employs two separate encoders per scale: one focusing on low-pass filtering to capture trends and the other utilizing high-pass filtering to model seasonal variations. These filters are learnable, allowing the model to dynamically adapt and isolate trend and seasonal components directly in the frequency domain. A key innovation in our approach is the integration of autocorrelation, achieved by computing lagged differences in time steps, which enables the model to capture dependencies across time more effectively. Each encoder processes the input through fully connected layers to handle temporal and channel interactions. By combining frequency-domain filtering, autocorrelation-based temporal modeling, and channel-wise transformations, LMS-AutoTSF not only accurately captures long-term dependencies and fine-grained patterns but also operates more efficiently compared to other state-of-the-art methods. Its lightweight design ensures faster processing while maintaining high precision in forecasting across diverse time horizons. The source code is publicly available at \url{http://github.com/mribrahim/LMS-TSF}
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Fangmin Liu, Jiake Tian
Abstract: Low-rank factorization is a popular model compression technique that minimizes the error $\delta$ between approximated and original weight matrices. Despite achieving performances close to the original models when $\delta$ is optimized, a performance discrepancy remains due to the separate optimization processes for low-rank factorization and model performance, resulting in unavoidable losses. We address this issue by introducing a novel joint optimization strategy for lossless low-rank weight factorization, which, for the first time, enhances the model's performance beyond the original. Our approach begins with a theoretical analysis of the relationship between low-rank factorization and model optimization objectives, establishing a precise perturbation range for matrix factorization errors on model performance. This challenge is then reformulated as a numerical rank deficiency problem with inequality constraints and develop a joint objective that simultaneously addresses factorization error and model performance. Based on the above analysis, we propose two optimization algorithms: \textbf{a lossless optimization algorithm} that maximizes model accuracy while ensuring compression, and \textbf{a compact optimization algorithm} that minimizes model size while preserving performance. These algorithms do not require fine-tuning and can directly compress numerous deep models to achieve lossless results. Our methods demonstrate robust efficacy across various vision and language tasks. For example, the compressed model reduced by 70\% on ResNext50 outperforms the original. Our code will be made public.
Authors: Raul Sena Ferreira, Joris Gu\'erin, Kevin Delmas, J\'er\'emie Guiochet, H\'el\`ene Waeselynck
Abstract: Machine Learning (ML) models, such as deep neural networks, are widely applied in autonomous systems to perform complex perception tasks. New dependability challenges arise when ML predictions are used in safety-critical applications, like autonomous cars and surgical robots. Thus, the use of fault tolerance mechanisms, such as safety monitors, is essential to ensure the safe behavior of the system despite the occurrence of faults. This paper presents an extensive literature review on safety monitoring of perception functions using ML in a safety-critical context. In this review, we structure the existing literature to highlight key factors to consider when designing such monitors: threat identification, requirements elicitation, detection of failure, reaction, and evaluation. We also highlight the ongoing challenges associated with safety monitoring and suggest directions for future research.
Authors: Xiannan Huang, Shuhan Qiu, Quan Yuan, Chao Yang
Abstract: In the context of rail transit operations, real-time passenger flow prediction is essential; however, most models primarily focus on normal conditions, with limited research addressing incident situations. There are several intrinsic challenges associated with prediction during incidents, such as a lack of interpretability and data scarcity. To address these challenges, we propose a two-stage method that separates predictions under normal conditions and the causal effects of incidents. First, a normal prediction model is trained using data from normal situations. Next, the synthetic control method is employed to identify the causal effects of incidents, combined with placebo tests to determine significant levels of these effects. The significant effects are then utilized to train a causal effect prediction model, which can forecast the impact of incidents based on features of the incidents and passenger flows. During the prediction phase, the results from both the normal situation model and the causal effect prediction model are integrated to generate final passenger flow predictions during incidents. Our approach is validated using real-world data, demonstrating improved accuracy. Furthermore, the two-stage methodology enhances interpretability. By analyzing the causal effect prediction model, we can identify key influencing factors related to the effects of incidents and gain insights into their underlying mechanisms. Our work can assist subway system managers in estimating passenger flow affected by incidents and enable them to take proactive measures. Additionally, it can deepen researchers' understanding of the impact of incidents on subway passenger flows.
Authors: Juncan Deng, Shuaiting Li, Zeyu Wang, Hong Gu, Kedong Xu, Kejie Huang
Abstract: The rapid growth of the big neural network models puts forward new requirements for lightweight network representation methods. The traditional methods based on model compression have achieved great success, especially VQ technology which realizes the high compression ratio of models by sharing code words. However, because each layer of the network needs to build a code table, the traditional top-down compression technology lacks attention to the underlying commonalities, resulting in limited compression rate and frequent memory access. In this paper, we propose a bottom-up method to share the universal codebook among multiple neural networks, which not only effectively reduces the number of codebooks but also further reduces the memory access and chip area by storing static code tables in the built-in ROM. Specifically, we introduce VQ4ALL, a VQ-based method that utilizes codewords to enable the construction of various neural networks and achieve efficient representations. The core idea of our method is to adopt a kernel density estimation approach to extract a universal codebook and then progressively construct different low-bit networks by updating differentiable assignments. Experimental results demonstrate that VQ4ALL achieves compression rates exceeding 16 $\times$ while preserving high accuracy across multiple network architectures, highlighting its effectiveness and versatility.
Authors: Lars Hertel, Neil Daftary, Fedor Borisyuk, Aman Gupta, Rahul Mazumder
Abstract: We study user history modeling via Transformer encoders in deep learning recommendation models (DLRM). Such architectures can significantly improve recommendation quality, but usually incur high latency cost necessitating infrastructure upgrades or very small Transformer models. An important part of user history modeling is early fusion of the candidate item and various methods have been studied. We revisit early fusion and compare concatenation of the candidate to each history item against appending it to the end of the list as a separate item. Using the latter method, allows us to reformulate the recently proposed amortized history inference algorithm M-FALCON \cite{zhai2024actions} for the case of DLRM models. We show via experimental results that appending with cross-attention performs on par with concatenation and that amortization significantly reduces inference costs. We conclude with results from deploying this model on the LinkedIn Feed and Ads surfaces, where amortization reduces latency by 30\% compared to non-amortized inference.
Authors: Jiachen Xu, Yushuai Li, Torben Bach Pedersen, Yuqiang He, Kim Guldstrand Larsen, Tianyi Li
Abstract: Emerging digital twin technology has the potential to revolutionize voltage control in power systems. However, the state-of-the-art digital twin method suffers from low computational and sampling efficiency, which hinders its applications. To address this issue, we propose a Gumbel-Consistency Digital Twin (GC-DT) method that enhances voltage control with improved computational and sampling efficiency. First, the proposed method incorporates a Gumbel-based strategy improvement that leverages the Gumbel-top trick to enhance non-repetitive sampling actions and reduce the reliance on Monte Carlo Tree Search simulations, thereby improving computational efficiency. Second, a consistency loss function aligns predicted hidden states with actual hidden states in the latent space, which increases both prediction accuracy and sampling efficiency. Experiments on IEEE 123-bus, 34-bus, and 13-bus systems demonstrate that the proposed GC-DT outperforms the state-of-the-art DT method in both computational and sampling efficiency.
Authors: Jorge Guevara, Victor Nascimento, Johannes Schmude, Daniel Salles, Simon Corbeil-L\'etourneau, Madalina Surcel, Dominique Brunet
Abstract: Wind downscaling is essential for improving the spatial resolution of weather forecasts, particularly in operational Numerical Weather Prediction (NWP). This study advances wind downscaling by extending the DownGAN framework introduced by Annau et al.,to operational datasets from the Global Deterministic Prediction System (GDPS) and High-Resolution Deterministic Prediction System (HRDPS), covering the entire Canadian domain. We enhance the model by incorporating high-resolution static covariates, such as HRDPS-derived topography, into a Conditional Wasserstein Generative Adversarial Network with Gradient Penalty, implemented using a UNET-based generator. Following the DownGAN framework, our methodology integrates low-resolution GDPS forecasts (15 km, 10-day horizon) and high-resolution HRDPS forecasts (2.5 km, 48-hour horizon) with Frequency Separation techniques adapted from computer vision. Through robust training and inference over the Canadian region, we demonstrate the operational scalability of our approach, achieving significant improvements in wind downscaling accuracy. Statistical validation highlights reductions in root mean square error (RMSE) and log spectral distance (LSD) metrics compared to the original DownGAN. High-resolution conditioning covariates and Frequency Separation strategies prove instrumental in enhancing model performance. This work underscores the potential for extending high-resolution wind forecasts beyond the 48-hour horizon, bridging the gap to the 10-day low resolution global forecast window.
Authors: A. Feder Cooper, Christopher A. Choquette-Choo, Miranda Bogen, Matthew Jagielski, Katja Filippova, Ken Ziyu Liu, Alexandra Chouldechova, Jamie Hayes, Yangsibo Huang, Niloofar Mireshghallah, Ilia Shumailov, Eleni Triantafillou, Peter Kairouz, Nicole Mitchell, Percy Liang, Daniel E. Ho, Yejin Choi, Sanmi Koyejo, Fernando Delgado, James Grimmelmann, Vitaly Shmatikov, Christopher De Sa, Solon Barocas, Amy Cyphert, Mark Lemley, danah boyd, Jennifer Wortman Vaughan, Miles Brundage, David Bau, Seth Neel, Abigail Z. Jacobs, Andreas Terzis, Hanna Wallach, Nicolas Papernot, Katherine Lee
Abstract: We articulate fundamental mismatches between technical methods for machine unlearning in Generative AI, and documented aspirations for broader impact that these methods could have for law and policy. These aspirations are both numerous and varied, motivated by issues that pertain to privacy, copyright, safety, and more. For example, unlearning is often invoked as a solution for removing the effects of targeted information from a generative-AI model's parameters, e.g., a particular individual's personal data or in-copyright expression of Spiderman that was included in the model's training data. Unlearning is also proposed as a way to prevent a model from generating targeted types of information in its outputs, e.g., generations that closely resemble a particular individual's data or reflect the concept of "Spiderman." Both of these goals--the targeted removal of information from a model and the targeted suppression of information from a model's outputs--present various technical and substantive challenges. We provide a framework for thinking rigorously about these challenges, which enables us to be clear about why unlearning is not a general-purpose solution for circumscribing generative-AI model behavior in service of broader positive impact. We aim for conceptual clarity and to encourage more thoughtful communication among machine learning (ML), law, and policy experts who seek to develop and apply technical methods for compliance with policy objectives.
Authors: Edward Ratner, Elliot Farmer, Brandon Warner, Christopher Douglas, Amaury Lendasse
Abstract: Utilizing machine learning techniques has always required choosing hyperparameters. This is true whether one uses a classical technique such as a KNN or very modern neural networks such as Deep Learning. Though in many applications, hyperparameters are chosen by hand, automated methods have become increasingly more common. These automated methods have become collectively known as automated machine learning, or AutoML. Several automated selection algorithms have shown similar or improved performance over state-of-the-art methods. This breakthrough has led to the development of cloud-based services like Google AutoML, which is based on Deep Learning and is widely considered to be the industry leader in AutoML services. Extreme Learning Machines (ELMs) use a fundamentally different type of neural architecture, producing better results at a significantly discounted computational cost. We benchmark the Extreme AutoML technology against Google's AutoML using several popular classification data sets from the University of California at Irvine's (UCI) repository, and several other data sets, observing significant advantages for Extreme AutoML in accuracy, Jaccard Indices, the variance of Jaccard Indices across classes (i.e. class variance) and training times.
Authors: Nora Belrose, Adam Scherlis
Abstract: We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian
Authors: Behzad Ousat, Mahshad Shariatnasab, Esteban Schafir, Farhad Shirani Chaharsooghi, Amin Kharraz
Abstract: Web traffic has evolved to include both human users and automated agents, ranging from benign web crawlers to adversarial scanners such as those capable of credential stuffing, command injection, and account hijacking at the web scale. The estimated financial costs of these adversarial activities are estimated to exceed tens of billions of dollars in 2023. In this work, we introduce WebGuard, a low-overhead in-application forensics engine, to enable robust identification and monitoring of automated web scanners, and help mitigate the associated security risks. WebGuard focuses on the following design criteria: (i) integration into web applications without any changes to the underlying software components or infrastructure, (ii) minimal communication overhead, (iii) capability for real-time detection, e.g., within hundreds of milliseconds, and (iv) attribution capability to identify new behavioral patterns and detect emerging agent categories. To this end, we have equipped WebGuard with multi-modal behavioral monitoring mechanisms, such as monitoring spatio-temporal data and browser events. We also design supervised and unsupervised learning architectures for real-time detection and offline attribution of human and automated agents, respectively. Information theoretic analysis and empirical evaluations are provided to show that multi-modal data analysis, as opposed to uni-modal analysis which relies solely on mouse movement dynamics, significantly improves time-to-detection and attribution accuracy. Various numerical evaluations using real-world data collected via WebGuard are provided achieving high accuracy in hundreds of milliseconds, with a communication overhead below 10 KB per second.
Authors: Hai V. Nguyen, Tan Bui-Thanh
Abstract: Efficient real-time solvers for forward and inverse problems are essential in engineering and science applications. Machine learning surrogate models have emerged as promising alternatives to traditional methods, offering substantially reduced computational time. Nevertheless, these models typically demand extensive training datasets to achieve robust generalization across diverse scenarios. While physics-based approaches can partially mitigate this data dependency and ensure physics-interpretable solutions, addressing scarce data regimes remains a challenge. Both purely data-driven and physics-based machine learning approaches demonstrate severe overfitting issues when trained with insufficient data. We propose a novel Tikhonov autoencoder model-constrained framework, called TAE, capable of learning both forward and inverse surrogate models using a single arbitrary observation sample. We develop comprehensive theoretical foundations including forward and inverse inference error bounds for the proposed approach for linear cases. For comparative analysis, we derive equivalent formulations for pure data-driven and model-constrained approach counterparts. At the heart of our approach is a data randomization strategy, which functions as a generative mechanism for exploring the training data space, enabling effective training of both forward and inverse surrogate models from a single observation, while regularizing the learning process. We validate our approach through extensive numerical experiments on two challenging inverse problems: 2D heat conductivity inversion and initial condition reconstruction for time-dependent 2D Navier-Stokes equations. Results demonstrate that TAE achieves accuracy comparable to traditional Tikhonov solvers and numerical forward solvers for both inverse and forward problems, respectively, while delivering orders of magnitude computational speedups.
Authors: Navyansh Mahla, Sunny Gupta, Amit Sethi
Abstract: Federated Learning (FL) has gained popularity for fine-tuning large language models (LLMs) across multiple nodes, each with its own private data. While LoRA has been widely adopted for parameter efficient federated fine-tuning, recent theoretical and empirical studies highlight its suboptimal performance in the federated learning context. In response, we propose a novel, simple, and more effective parameter-efficient fine-tuning method that does not rely on LoRA. Our approach introduces a small multi-layer perceptron (MLP) layer between two existing MLP layers the up proj (the FFN projection layer following the self-attention module) and down proj within the feed forward network of the transformer block. This solution addresses the bottlenecks associated with LoRA in federated fine tuning and outperforms recent LoRA-based approaches, demonstrating superior performance for both language models and vision encoders.
Authors: Ming Fan, Zezhong Zhang, Dan Lu, Guannan Zhang
Abstract: We introduce GenAI4UQ, a software package for inverse uncertainty quantification in model calibration, parameter estimation, and ensemble forecasting in scientific applications. GenAI4UQ leverages a generative artificial intelligence (AI) based conditional modeling framework to address the limitations of traditional inverse modeling techniques, such as Markov Chain Monte Carlo methods. By replacing computationally intensive iterative processes with a direct, learned mapping, GenAI4UQ enables efficient calibration of model input parameters and generation of output predictions directly from observations. The software's design allows for rapid ensemble forecasting with robust uncertainty quantification, while maintaining high computational and storage efficiency. GenAI4UQ simplifies the model training process through built-in auto-tuning of hyperparameters, making it accessible to users with varying levels of expertise. Its conditional generative framework ensures versatility, enabling applicability across a wide range of scientific domains. At its core, GenAI4UQ transforms the paradigm of inverse modeling by providing a fast, reliable, and user-friendly solution. It empowers researchers and practitioners to quickly estimate parameter distributions and generate model predictions for new observations, facilitating efficient decision-making and advancing the state of uncertainty quantification in computational modeling. (The code and data are available at https://github.com/patrickfan/GenAI4UQ).
Authors: Qian Yu, Zhen Xu, Zong Ke
Abstract: In the context of globalization and the rapid expansion of the digital economy, anti-money laundering (AML) has become a crucial aspect of financial oversight, particularly in cross-border transactions. The rising complexity and scale of international financial flows necessitate more intelligent and adaptive AML systems to combat increasingly sophisticated money laundering techniques. This paper explores the application of unsupervised learning models in cross-border AML systems, focusing on rule optimization through contrastive learning techniques. Five deep learning models, ranging from basic convolutional neural networks (CNNs) to hybrid CNNGRU architectures, were designed and tested to assess their performance in detecting abnormal transactions. The results demonstrate that as model complexity increases, so does the system's detection accuracy and responsiveness. In particular, the self-developed hybrid Convolutional-Recurrent Neural Integration Model (CRNIM) model showed superior performance in terms of accuracy and area under the receiver operating characteristic curve (AUROC). These findings highlight the potential of unsupervised learning models to significantly improve the intelligence, flexibility, and real-time capabilities of AML systems. By optimizing detection rules and enhancing adaptability to emerging money laundering schemes, this research provides both theoretical and practical contributions to the advancement of AML technologies, which are essential for safeguarding the global financial system against illicit activities.
Authors: Samuel Stocksieker, Denys Pommeret, Arthur Charpentier
Abstract: Learning from an imbalanced distribution presents a major challenge in predictive modeling, as it generally leads to a reduction in the performance of standard algorithms. Various approaches exist to address this issue, but many of them concern classification problems, with a limited focus on regression. In this paper, we introduce a novel method aimed at enhancing learning on tabular data in the Imbalanced Regression (IR) framework, which remains a significant problem. We propose to use variational autoencoders (VAE) which are known as a powerful tool for synthetic data generation, offering an interesting approach to modeling and capturing latent representations of complex distributions. However, VAEs can be inefficient when dealing with IR. Therefore, we develop a novel approach for generating data, combining VAE with a smoothed bootstrap, specifically designed to address the challenges of IR. We numerically investigate the scope of this method by comparing it against its competitors on simulations and datasets known for IR.
Authors: Sydney Anuyah, Mallika K Singh, Hope Nyavor
Abstract: The integration of artificial intelligence [AI] into clinical trials has revolutionized the process of drug development and personalized medicine. Among these advancements, deep learning and predictive modelling have emerged as transformative tools for optimizing clinical trial design, patient recruitment, and real-time monitoring. This study explores the application of deep learning techniques, such as convolutional neural networks [CNNs] and transformerbased models, to stratify patients, forecast adverse events, and personalize treatment plans. Furthermore, predictive modelling approaches, including survival analysis and time-series forecasting, are employed to predict trial outcomes, enhancing efficiency and reducing trial failure rates. To address challenges in analysing unstructured clinical data, such as patient notes and trial protocols, natural language processing [NLP] techniques are utilized for extracting actionable insights. A custom dataset comprising structured patient demographics, genomic data, and unstructured text is curated for training and validating these models. Key metrics, including precision, recall, and F1 scores, are used to evaluate model performance, while trade-offs between accuracy and computational efficiency are examined to identify the optimal model for clinical deployment. This research underscores the potential of AI-driven methods to streamline clinical trial workflows, improve patient-centric outcomes, and reduce costs associated with trial inefficiencies. The findings provide a robust framework for integrating predictive analytics into precision medicine, paving the way for more adaptive and efficient clinical trials. By bridging the gap between technological innovation and real-world applications, this study contributes to advancing the role of AI in healthcare, particularly in fostering personalized care and improving overall trial success rates.
Authors: Weihang Chen, Jie Ren, Zhiqiang Li, Ling Gao, Zheng Wang
Abstract: Real-life deployment of federated Learning (FL) often faces non-IID data, which leads to poor accuracy and slow convergence. Personalized FL (pFL) tackles these issues by tailoring local models to individual data sources and using weighted aggregation methods for client-specific learning. However, existing pFL methods often fail to provide each local model with global knowledge on demand while maintaining low computational overhead. Additionally, local models tend to over-personalize their data during the training process, potentially dropping previously acquired global information. We propose FLAYER, a novel layer-wise learning method for pFL that optimizes local model personalization performance. FLAYER considers the different roles and learning abilities of neural network layers of individual local models. It incorporates global information for each local model as needed to initialize the local model cost-effectively. It then dynamically adjusts learning rates for each layer during local training, optimizing the personalized learning process for each local model while preserving global knowledge. Additionally, to enhance global representation in pFL, FLAYER selectively uploads parameters for global aggregation in a layer-wise manner. We evaluate FLAYER on four representative datasets in computer vision and natural language processing domains. Compared to six state-of-the-art pFL methods, FLAYER improves the inference accuracy, on average, by 5.42% (up to 14.29%).
Authors: Yao Fu, Yinsicheng Jiang, Yeqi Huang, Ping Nie, Zhan Lu, Leyang Xue, Congjie He, Man-Kit Sit, Jilong Xue, Li Dong, Ziming Miao, Kai Zou, Edoardo Ponti, Luo Mai
Abstract: The sparse Mixture-of-Experts (MoE) architecture is increasingly favored for scaling Large Language Models (LLMs) efficiently; however, MoE systems rely on heterogeneous compute and memory resources. These factors collectively influence the system's Cost, Accuracy, and Performance (CAP), creating a challenging trade-off. Current benchmarks often fail to provide precise estimates of these effects, complicating practical considerations for deploying MoE systems. To bridge this gap, we introduce MoE-CAP, a benchmark specifically designed to evaluate MoE systems. Our findings highlight the difficulty of achieving an optimal balance of cost, accuracy, and performance with existing hardware capabilities. MoE systems often necessitate compromises on one factor to optimize the other two, a dynamic we term the MoE-CAP trade-off. To identify the best trade-off, we propose novel performance evaluation metrics - Sparse Memory Bandwidth Utilization (S-MBU) and Sparse Model FLOPS Utilization (S-MFU) - and develop cost models that account for the heterogeneous compute and memory hardware integral to MoE systems. This benchmark is publicly available on HuggingFace: https://huggingface.co/spaces/sparse-generative-ai/open-moe-llm-leaderboard.
URLs: https://huggingface.co/spaces/sparse-generative-ai/open-moe-llm-leaderboard.
Authors: Peter Lalor
Abstract: Machine learning methods in gamma spectroscopy have the potential to provide accurate, real-time classification of unknown radioactive samples. However, obtaining sufficient experimental training data is often prohibitively expensive and time-consuming, and models trained solely on synthetic data can struggle to generalize to the unpredictable range of real-world operating scenarios. In this work, we pretrain a model using physically derived synthetic data and subsequently leverage transfer learning techniques to fine-tune the model for a specific target domain. This paradigm enables us to embed physical principles during the pretraining step, thus requiring less data from the target domain compared to classical machine learning methods. Results of this analysis indicate that fine-tuned models significantly outperform those trained exclusively on synthetic data or solely on target-domain data, particularly in the intermediate data regime (${\approx} 10^4$ training samples). This conclusion is consistent across four different machine learning architectures (MLP, CNN, Transformer, and LSTM) considered in this study. This research serves as proof of concept for applying transfer learning techniques to application scenarios where access to experimental data is limited.
Authors: Joel Daniel Andersson, Rasmus Pagh
Abstract: In differential privacy, $\textit{continual observation}$ refers to problems in which we wish to continuously release a function of a dataset that is revealed one element at a time. The challenge is to maintain a good approximation while keeping the combined output over all time steps differentially private. In the special case of $\textit{continual counting}$ we seek to approximate a sum of binary input elements. This problem has received considerable attention lately, in part due to its relevance in implementations of differentially private stochastic gradient descent. $\textit{Factorization mechanisms}$ are the leading approach to continual counting, but the best such mechanisms do not work well in $\textit{streaming}$ settings since they require space proportional to the size of the input. In this paper, we present a simple approach to approximating factorization mechanisms in low space via $\textit{binning}$, where adjacent matrix entries with similar values are changed to be identical in such a way that a matrix-vector product can be maintained in sublinear space. Our approach has provable sublinear space guarantees for a class of lower triangular matrices whose entries are monotonically decreasing away from the diagonal. We show empirically that even with very low space usage we are able to closely match, and sometimes surpass, the performance of asymptotically optimal factorization mechanisms. Recently, and independently of our work, Dvijotham et al. have also suggested an approach to implementing factorization mechanisms in a streaming setting. Their work differs from ours in several respects: It only addresses factorization into $\textit{Toeplitz}$ matrices, only considers $\textit{maximum}$ error, and uses a different technique based on rational function approximation that seems less versatile than our binning approach.
Authors: Antonis Vasileiou, Ben Finkelshtein, Floris Geerts, Ron Levie, Christopher Morris
Abstract: The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful predictions beyond the training set -- remain less explored. Current generalization analyses often overlook graph structure, limit the focus to specific aggregation functions, and assume the impractical, hard-to-optimize $0$-$1$ loss function. Here, we extend recent advances in graph similarity theory to assess the influence of graph structure, aggregation, and loss functions on MPNNs' generalization abilities. Our empirical study supports our theoretical insights, improving our understanding of MPNNs' generalization properties.
Authors: Fei Ma, Yukan Li, Yifan Xie, Ying He, Yi Zhang, Hongwei Ren, Zhou Liu, Wei Yao, Fuji Ren, Fei Richard Yu, Shiguang Ni
Abstract: Human emotion synthesis is a crucial aspect of affective computing. It involves using computational methods to mimic and convey human emotions through various modalities, with the goal of enabling more natural and effective human-computer interactions. Recent advancements in generative models, such as Autoencoders, Generative Adversarial Networks, Diffusion Models, Large Language Models, and Sequence-to-Sequence Models, have significantly contributed to the development of this field. However, there is a notable lack of comprehensive reviews in this field. To address this problem, this paper aims to address this gap by providing a thorough and systematic overview of recent advancements in human emotion synthesis based on generative models. Specifically, this review will first present the review methodology, the emotion models involved, the mathematical principles of generative models, and the datasets used. Then, the review covers the application of different generative models to emotion synthesis based on a variety of modalities, including facial images, speech, and text. It also examines mainstream evaluation metrics. Additionally, the review presents some major findings and suggests future research directions, providing a comprehensive understanding of the role of generative technology in the nuanced domain of emotion synthesis.
Authors: Zirun Guo, Tao Jin, Wenlong Xu, Wang Lin, Yangyang Wu
Abstract: Multimodal sentiment analysis (MSA) is an emerging research topic that aims to understand and recognize human sentiment or emotions through multiple modalities. However, in real-world dynamic scenarios, the distribution of target data is always changing and different from the source data used to train the model, which leads to performance degradation. Common adaptation methods usually need source data, which could pose privacy issues or storage overheads. Therefore, test-time adaptation (TTA) methods are introduced to improve the performance of the model at inference time. Existing TTA methods are always based on probabilistic models and unimodal learning, and thus can not be applied to MSA which is often considered as a multimodal regression task. In this paper, we propose two strategies: Contrastive Adaptation and Stable Pseudo-label generation (CASP) for test-time adaptation for multimodal sentiment analysis. The two strategies deal with the distribution shifts for MSA by enforcing consistency and minimizing empirical risk, respectively. Extensive experiments show that CASP brings significant and consistent improvements to the performance of the model across various distribution shift settings and with different backbones, demonstrating its effectiveness and versatility. Our codes are available at https://github.com/zrguo/CASP.
Authors: Rui Li, Song Wang, Chen Wang
Abstract: Preconditioning techniques are crucial for enhancing the efficiency of solving large-scale linear equation systems that arise from partial differential equation (PDE) discretization. These techniques, such as Incomplete Cholesky factorization (IC) and data-driven neural network methods, accelerate the convergence of iterative solvers like Conjugate Gradient (CG) by approximating the original matrices. This paper introduces a novel approach that integrates Graph Neural Network (GNN) with traditional IC, addressing the shortcomings of direct generation methods based on GNN and achieving significant improvements in computational efficiency and scalability. Experimental results demonstrate an average reduction in iteration counts by 24.8% compared to IC and a two-order-of-magnitude increase in training scale compared to previous methods. A three-dimensional static structural analysis utilizing finite element methods was validated on training sparse matrices of up to 5 million dimensions and inference scales of up to 10 million. Furthermore, the approach demon-strates robust generalization capabilities across scales, facilitating the effective acceleration of CG solvers for large-scale linear equations using small-scale data on modest hardware. The method's robustness and scalability make it a practical solution for computational science.
Authors: Yang Jiao, Kai Yang, Chengtao Jian
Abstract: Trilevel learning (TLL) found diverse applications in numerous machine learning applications, ranging from robust hyperparameter optimization to domain adaptation. However, existing researches primarily focus on scenarios where TLL can be addressed with first order information available at each level, which is inadequate in many situations involving zeroth order constraints, such as when black-box models are employed. Moreover, in trilevel learning, data may be distributed across various nodes, necessitating strategies to address TLL problems without centralizing data on servers to uphold data privacy. To this end, an effective distributed trilevel zeroth order learning framework DTZO is proposed in this work to address the TLL problems with level-wise zeroth order constraints in a distributed manner. The proposed DTZO is versatile and can be adapted to a wide range of (grey-box) TLL problems with partial zeroth order constraints. In DTZO, the cascaded polynomial approximation can be constructed without relying on gradients or sub-gradients, leveraging a novel cut, i.e., zeroth order cut. Furthermore, we theoretically carry out the non-asymptotic convergence rate analysis for the proposed DTZO in achieving the $\epsilon$-stationary point. Extensive experiments have been conducted to demonstrate and validate the superior performance of the proposed DTZO, e.g., it approximately achieves up to a 40$\%$ improvement in performance.
Authors: Jacob Adkins, Michael Bowling, Adam White
Abstract: The performance of modern reinforcement learning algorithms critically relies on tuning ever-increasing numbers of hyperparameters. Often, small changes in a hyperparameter can lead to drastic changes in performance, and different environments require very different hyperparameter settings to achieve state-of-the-art performance reported in the literature. We currently lack a scalable and widely accepted approach to characterizing these complex interactions. This work proposes a new empirical methodology for studying, comparing, and quantifying the sensitivity of an algorithm's performance to hyperparameter tuning for a given set of environments. We then demonstrate the utility of this methodology by assessing the hyperparameter sensitivity of several commonly used normalization variants of PPO. The results suggest that several algorithmic performance improvements may, in fact, be a result of an increased reliance on hyperparameter tuning.
Authors: Ke Xue, Ruo-Tong Chen, Xi Lin, Yunqi Shi, Shixiong Kai, Siyuan Xu, Chao Qian
Abstract: In modern chip design, placement aims at placing millions of circuit modules, which is an essential step that significantly influences power, performance, and area (PPA) metrics. Recently, reinforcement learning (RL) has emerged as a promising technique for improving placement quality, especially macro placement. However, current RL-based placement methods suffer from long training times, low generalization ability, and inability to guarantee PPA results. A key issue lies in the problem formulation, i.e., using RL to place from scratch, which results in limits useful information and inaccurate rewards during the training process. In this work, we propose an approach that utilizes RL for the refinement stage, which allows the RL policy to learn how to adjust existing placement layouts, thereby receiving sufficient information for the policy to act and obtain relatively dense and precise rewards. Additionally, we introduce the concept of regularity during training, which is considered an important metric in the chip design industry but is often overlooked in current RL placement methods. We evaluate our approach on the ISPD 2005 and ICCAD 2015 benchmark, comparing the global half-perimeter wirelength and regularity of our proposed method against several competitive approaches. Besides, we test the PPA performance using commercial software, showing that RL as a regulator can achieve significant PPA improvements. Our RL regulator can fine-tune placements from any method and enhance their quality. Our work opens up new possibilities for the application of RL in placement, providing a more effective and efficient approach to optimizing chip design. Our code is available at \url{https://github.com/lamda-bbo/macro-regulator}.
Authors: Tal Zeevi, Ravid Shwartz-Ziv, Yann LeCun, Lawrence H. Staib, John A. Onofrey
Abstract: Accurate uncertainty estimation is crucial for deploying neural networks in risk-sensitive applications such as medical diagnosis. Monte Carlo Dropout is a widely used technique for approximating predictive uncertainty by performing stochastic forward passes with dropout during inference. However, using static dropout rates across all layers and inputs can lead to suboptimal uncertainty estimates, as it fails to adapt to the varying characteristics of individual inputs and network layers. Existing approaches optimize dropout rates during training using labeled data, resulting in fixed inference-time parameters that cannot adjust to new data distributions, compromising uncertainty estimates in Monte Carlo simulations. In this paper, we propose Rate-In, an algorithm that dynamically adjusts dropout rates during inference by quantifying the information loss induced by dropout in each layer's feature maps. By treating dropout as controlled noise injection and leveraging information-theoretic principles, Rate-In adapts dropout rates per layer and per input instance without requiring ground truth labels. By quantifying the functional information loss in feature maps, we adaptively tune dropout rates to maintain perceptual quality across diverse medical imaging tasks and architectural configurations. Our extensive empirical study on synthetic data and real-world medical imaging tasks demonstrates that Rate-In improves calibration and sharpens uncertainty estimates compared to fixed or heuristic dropout rates without compromising predictive performance. Rate-In offers a practical, unsupervised, inference-time approach to optimizing dropout for more reliable predictive uncertainty estimation in critical applications.
Authors: Vui Seng Chua, Yujie Pan, Nilesh Jain
Abstract: We present Statistical Calibrated Activation Pruning (SCAP), a post-training activation pruning framework that (1) generalizes sparsification by input activations of Fully-Connected layers for generic and flexible application across Transformers, and (2) features a simple Mode-Centering technique to pre-calibrate activation distributions for maximizing post-training sparsity. Our results demonstrate robust Pareto efficiency compared to prior methods, translating to a 1.5x additional LLM decoding speedup against CATS at iso model quality. SCAP effectiveness is empirically verified across a wide range of models, including recent Transformer Decoders, MoE, Mamba2, Encoding Transformer, and pre-quantized models, highlighting its practicality and scalability. The code is available at: https://github.com/IntelLabs/SCAP.
Authors: Julien Roy
Abstract: In the last decade, Deep Reinforcement Learning has evolved into a powerful tool for complex sequential decision-making problems. It combines deep learning's proficiency in processing rich input signals with reinforcement learning's adaptability across diverse control tasks. At its core, an RL agent seeks to maximize its cumulative reward, enabling AI algorithms to uncover novel solutions previously unknown to experts. However, this focus on reward maximization also introduces a significant difficulty: improper reward specification can result in unexpected, misaligned agent behavior and inefficient learning. The complexity of accurately specifying the reward function is further amplified by the sequential nature of the task, the sparsity of learning signals, and the multifaceted aspects of the desired behavior. In this thesis, we survey the literature on effective reward specification strategies, identify core challenges relating to each of these approaches, and propose original contributions addressing the issue of sample efficiency and alignment in deep reinforcement learning. Reward specification represents one of the most challenging aspects of applying reinforcement learning in real-world domains. Our work underscores the absence of a universal solution to this complex and nuanced challenge; solving it requires selecting the most appropriate tools for the specific requirements of each unique application.
Authors: Shukuan Wang, Ke Xue, Lei Song, Xiaobin Huang, Chao Qian
Abstract: Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a transfer learning setup to speed up the optimization, where search space transfer is one of the most promising approaches and has shown impressive performance on many tasks. However, existing search space transfer methods either lack an adaptive mechanism or are not flexible enough, making it difficult to efficiently identify promising search space during the optimization process. In this paper, we propose a search space transfer learning method based on Monte Carlo tree search (MCTS), called MCTS-transfer, to iteratively divide, select, and optimize in a learned subspace. MCTS-transfer can not only provide a well-performing search space for warm-start but also adaptively identify and leverage the information of similar source tasks to reconstruct the search space during the optimization process. Experiments on synthetic functions, real-world problems, Design-Bench and hyper-parameter optimization show that MCTS-transfer can demonstrate superior performance compared to other search space transfer methods under different settings. Our code is available at \url{https://github.com/lamda-bbo/mcts-transfer}.
Authors: Pengxin Guo, Shuang Zeng, Wenhao Chen, Xiaodan Zhang, Weihong Ren, Yuyin Zhou, Liangqiong Qu
Abstract: Federated Learning (FL) aims to protect data privacy by enabling clients to collectively train machine learning models without sharing their raw data. However, recent studies demonstrate that information exchanged during FL is subject to Gradient Inversion Attacks (GIA) and, consequently, a variety of privacy-preserving methods have been integrated into FL to thwart such attacks, such as Secure Multi-party Computing (SMC), Homomorphic Encryption (HE), and Differential Privacy (DP). Despite their ability to protect data privacy, these approaches inherently involve substantial privacy-utility trade-offs. By revisiting the key to privacy exposure in FL under GIA, which lies in the frequent sharing of model gradients that contain private data, we take a new perspective by designing a novel privacy preserve FL framework that effectively ``breaks the direct connection'' between the shared parameters and the local private data to defend against GIA. Specifically, we propose a Hypernetwork Federated Learning (HyperFL) framework that utilizes hypernetworks to generate the parameters of the local model and only the hypernetwork parameters are uploaded to the server for aggregation. Theoretical analyses demonstrate the convergence rate of the proposed HyperFL, while extensive experimental results show the privacy-preserving capability and comparable performance of HyperFL. Code is available at https://github.com/Pengxin-Guo/HyperFL.
Authors: Yushun Dong, Patrick Soga, Yinhan He, Song Wang, Jundong Li
Abstract: Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based learning tasks. While their performance is often attributed to the powerful neighborhood aggregation mechanism, recent studies suggest that other components such as non-linear layers may also significantly affecting how GNNs process the input graph data in the spectral domain. Such evidence challenges the prevalent opinion that neighborhood aggregation mechanisms dominate the behavioral characteristics of GNNs in the spectral domain. To demystify such a conflict, this paper introduces a comprehensive benchmark to measure and evaluate GNNs' capability in capturing and leveraging the information encoded in different frequency components of the input graph data. Specifically, we first conduct an exploratory study demonstrating that GNNs can flexibly yield outputs with diverse frequency components even when certain frequencies are absent or filtered out from the input graph data. We then formulate a novel research problem of measuring and benchmarking the performance of GNNs from a spectral perspective. To take an initial step towards a comprehensive benchmark, we design an evaluation protocol supported by comprehensive theoretical analysis. Finally, we introduce a comprehensive benchmark on real-world datasets, revealing insights that challenge prevalent opinions from a spectral perspective. We believe that our findings will open new avenues for future advancements in this area. Our implementations can be found at: https://github.com/yushundong/Spectral-benchmark.
Authors: Puhua Niu, Byung-Jun Yoon, Xiaoning Qian
Abstract: In this study, we focus on developing efficient calibration methods via Bayesian decision-making for the family of compartmental epidemiological models. The existing calibration methods usually assume that the compartmental model is cheap in terms of its output and gradient evaluation, which may not hold in practice when extending them to more general settings. Therefore, we introduce model calibration methods based on a "graybox" Bayesian optimization (BO) scheme, more efficient calibration for general epidemiological models. This approach uses Gaussian processes as a surrogate to the expensive model, and leverages the functional structure of the compartmental model to enhance calibration performance. Additionally, we develop model calibration methods via a decoupled decision-making strategy for BO, which further exploits the decomposable nature of the functional structure. The calibration efficiencies of the multiple proposed schemes are evaluated based on various data generated by a compartmental model mimicking real-world epidemic processes, and real-world COVID-19 datasets. Experimental results demonstrate that our proposed graybox variants of BO schemes can efficiently calibrate computationally expensive models and further improve the calibration performance measured by the logarithm of mean square errors and achieve faster performance convergence in terms of BO iterations. We anticipate that the proposed calibration methods can be extended to enable fast calibration of more complex epidemiological models, such as the agent-based models.
Authors: Zheng Lin, Wei Wei, Zhe Chen, Chan-Tong Lam, Xianhao Chen, Yue Gao, Jun Luo
Abstract: As AI models expand in size, it has become increasingly challenging to deploy federated learning (FL) on resource-constrained edge devices. To tackle this issue, split federated learning (SFL) has emerged as an FL framework with reduced workload on edge devices via model splitting; it has received extensive attention from the research community in recent years. Nevertheless, most prior works on SFL focus only on a two-tier architecture without harnessing multi-tier cloudedge computing resources. In this paper, we intend to analyze and optimize the learning performance of SFL under multi-tier systems. Specifically, we propose the hierarchical SFL (HSFL) framework and derive its convergence bound. Based on the theoretical results, we formulate a joint optimization problem for model splitting (MS) and model aggregation (MA). To solve this rather hard problem, we then decompose it into MS and MA subproblems that can be solved via an iterative descending algorithm. Simulation results demonstrate that the tailored algorithm can effectively optimize MS and MA for SFL within virtually any multi-tier system.
Authors: Saaduddin Mahmud, Mason Nakamura, Shlomo Zilberstein
Abstract: The advent of large language models (LLMs) has sparked significant interest in using natural language for preference learning. However, existing methods often suffer from high computational burdens, taxing human supervision, and lack of interpretability. To address these issues, we introduce MAPLE, a framework for large language model-guided Bayesian active preference learning. MAPLE leverages LLMs to model the distribution over preference functions, conditioning it on both natural language feedback and conventional preference learning feedback, such as pairwise trajectory rankings. MAPLE also employs active learning to systematically reduce uncertainty in this distribution and incorporates a language-conditioned active query selection mechanism to identify informative and easy-to-answer queries, thus reducing human burden. We evaluate MAPLE's sample efficiency and preference inference quality across two benchmarks, including a real-world vehicle route planning benchmark using OpenStreetMap data. Our results demonstrate that MAPLE accelerates the learning process and effectively improves humans' ability to answer queries.
Authors: Aniket Bhanderi, Raj Bhatnagar
Abstract: The problem of analyzing data streams of very large volumes is important and is very desirable for many application domains. In this paper we present and demonstrate effective working of an algorithm to find clusters and anomalous data points in a streaming datasets. Entropy minimization is used as a criterion for defining and updating clusters formed from a streaming dataset. As the clusters are formed we also identify anomalous datapoints that show up far away from all known clusters. With a number of 2-D datasets we demonstrate the effectiveness of discovering the clusters and also identifying anomalous data points.
Authors: Wesley Chung, Lynn Cherif, David Meger, Doina Precup
Abstract: Loss of plasticity, trainability loss, and primacy bias have been identified as issues arising when training deep neural networks on sequences of tasks -- all referring to the increased difficulty in training on new tasks. We propose to use Parseval regularization, which maintains orthogonality of weight matrices, to preserve useful optimization properties and improve training in a continual reinforcement learning setting. We show that it provides significant benefits to RL agents on a suite of gridworld, CARL and MetaWorld tasks. We conduct comprehensive ablations to identify the source of its benefits and investigate the effect of certain metrics associated to network trainability including weight matrix rank, weight norms and policy entropy.
Authors: Wan Jiang, He Wang, Xin Zhang, Dan Guo, Zhaoxin Fan, Yunfeng Diao, Richang Hong
Abstract: Score-based Generative Models (SGMs) have demonstrated remarkable generalization abilities, e.g. generating unseen, but natural data. However, the greater the generalization power, the more likely the unintended generalization, and the more dangerous the abuse. Research on moderated generalization in SGMs remains limited. To fill this gap, we first examine the current 'gold standard' in Machine Unlearning (MU), i.e., re-training the model after removing the undesirable training data, and find it does not work in SGMs. Further analysis of score functions reveals that the MU 'gold standard' does not alter the original score function, which explains its ineffectiveness. Based on this insight, we propose the first Moderated Score-based Generative Model (MSGM), which introduces a novel score adjustment strategy that redirects the score function away from undesirable data during the continuous-time stochastic differential equation process. Extensive experimental results demonstrate that MSGM significantly reduces the likelihood of generating undesirable content while preserving high visual quality for normal image generation. Albeit designed for SGMs, MSGM is a general and flexible MU framework that is compatible with diverse diffusion architectures (SGM and DDPM) and training strategies (re-training and fine-tuning), and enables zero-shot transfer of the pre-trained models to downstream tasks, e.g. image inpainting and reconstruction. The code will be shared upon acceptance.
Authors: Biswadeep Chakraborty, Harshit Kumar, Saibal Mukhopadhyay
Abstract: Oversmoothing in Graph Neural Networks (GNNs) poses a significant challenge as network depth increases, leading to homogenized node representations and a loss of expressiveness. In this work, we approach the oversmoothing problem from a dynamical systems perspective, providing a deeper understanding of the stability and convergence behavior of GNNs. Leveraging insights from dynamical systems theory, we identify the root causes of oversmoothing and propose \textbf{\textit{DYNAMO-GAT}}. This approach utilizes noise-driven covariance analysis and Anti-Hebbian principles to selectively prune redundant attention weights, dynamically adjusting the network's behavior to maintain node feature diversity and stability. Our theoretical analysis reveals how DYNAMO-GAT disrupts the convergence to oversmoothed states, while experimental results on benchmark datasets demonstrate its superior performance and efficiency compared to traditional and state-of-the-art methods. DYNAMO-GAT not only advances the theoretical understanding of oversmoothing through the lens of dynamical systems but also provides a practical and effective solution for improving the stability and expressiveness of deep GNNs.
Authors: Serzhan Ossenov
Abstract: Traditional metrics like accuracy, F1-score, and precision are frequently used to evaluate machine learning models, however they may not be sufficient for evaluating performance on tiny, unbalanced, or high-dimensional datasets. A dataset-adaptive, normalized metric that incorporates dataset characteristics like size, feature dimensionality, class imbalance, and signal-to-noise ratio is presented in this study. Early insights into the model's performance potential in challenging circumstances are provided by the suggested metric, which offers a scalable and adaptable evaluation framework. The metric's capacity to accurately forecast model scalability and performance is demonstrated via experimental validation spanning classification, regression, and clustering tasks, guaranteeing solid assessments in settings with limited data. This method has important ramifications for effective resource allocation and model optimization in machine learning workflows.
Authors: Zining Wnag, Jinyang Guo, Ruihao Gong, Yang Yong, Aishan Liu, Yushi Huang, Jiaheng Liu, Xianglong Liu
Abstract: With the increased attention to model efficiency, post-training sparsity (PTS) has become more and more prevalent because of its effectiveness and efficiency. However, there remain questions on better practice of PTS algorithms and the sparsification ability of models, which hinders the further development of this area. Therefore, a benchmark to comprehensively investigate the issues above is urgently needed. In this paper, we propose the first comprehensive post-training sparsity benchmark called PTSBench towards algorithms and models. We benchmark 10+ PTS general-pluggable fine-grained techniques on 3 typical tasks using over 40 off-the-shelf model architectures. Through extensive experiments and analyses, we obtain valuable conclusions and provide several insights from both algorithms and model aspects. Our PTSBench can provide (1) new observations for a better understanding of the PTS algorithms, (2) in-depth and comprehensive evaluations for the sparsification ability of models, and (3) a well-structured and easy-integrate open-source framework. We hope this work will provide illuminating conclusions and advice for future studies of post-training sparsity methods and sparsification-friendly model design. The code for our PTSBench is released at \href{https://github.com/ModelTC/msbench}{https://github.com/ModelTC/msbench}.
URLs: https://github.com/ModelTC/msbench, https://github.com/ModelTC/msbench
Authors: Junwei Su, Shan Wu
Abstract: Temporal Graph Neural Networks (TGNNs) are a family of graph neural networks designed to model and learn dynamic information from temporal graphs. Given their substantial empirical success, there is an escalating interest in TGNNs within the research community. However, the majority of these efforts have been channelled towards algorithm and system design, with the evaluation metrics receiving comparatively less attention. Effective evaluation metrics are crucial for providing detailed performance insights, particularly in the temporal domain. This paper investigates the commonly used evaluation metrics for TGNNs and illustrates the failure mechanisms of these metrics in capturing essential temporal structures in the predictive behaviour of TGNNs. We provide a mathematical formulation of existing performance metrics and utilize an instance-based study to underscore their inadequacies in identifying volatility clustering (the occurrence of emerging errors within a brief interval). This phenomenon has profound implications for both algorithm and system design in the temporal domain. To address this deficiency, we introduce a new volatility-aware evaluation metric (termed volatility cluster statistics), designed for a more refined analysis of model temporal performance. Additionally, we demonstrate how this metric can serve as a temporal-volatility-aware training objective to alleviate the clustering of temporal errors. Through comprehensive experiments on various TGNN models, we validate our analysis and the proposed approach. The empirical results offer revealing insights: 1) existing TGNNs are prone to making errors with volatility clustering, and 2) TGNNs with different mechanisms to capture temporal information exhibit distinct volatility clustering patterns. Our empirical findings demonstrate that our proposed training objective effectively reduces volatility clusters in error.
Authors: Jonathan Garc\'ia, Philipp Petersen
Abstract: We prove that a classifier with a Barron-regular decision boundary can be approximated with a rate of high polynomial degree by ReLU neural networks with three hidden layers when a margin condition is assumed. In particular, for strong margin conditions, high-dimensional discontinuous classifiers can be approximated with a rate that is typically only achievable when approximating a low-dimensional smooth function. We demonstrate how these expression rate bounds imply fast-rate learning bounds that are close to $n^{-1}$ where $n$ is the number of samples. In addition, we carry out comprehensive numerical experimentation on binary classification problems with various margins. We study three different dimensions, with the highest dimensional problem corresponding to images from the MNIST data set.
Authors: Kartik Singhal, Gautam Shroff
Abstract: The Abstraction and Reasoning Corpus (ARC) poses a significant challenge to artificial intelligence, demanding broad generalization and few-shot learning capabilities that remain elusive for current deep learning methods, including large language models (LLMs). While LLMs excel in program synthesis, their direct application to ARC yields limited success. To address this, we introduce ConceptSearch, a novel function-search algorithm that leverages LLMs for program generation and employs a concept-based scoring method to guide the search efficiently. Unlike simplistic pixel-based metrics like Hamming distance, ConceptSearch evaluates programs on their ability to capture the underlying transformation concept reflected in the input-output examples. We explore three scoring functions: Hamming distance, a CNN-based scoring function, and an LLM-based natural language scoring function. Experimental results demonstrate the effectiveness of ConceptSearch, achieving a significant performance improvement over direct prompting with GPT-4. Moreover, our novel concept-based scoring exhibits up to 30% greater efficiency compared to Hamming distance, measured in terms of the number of iterations required to reach the correct solution. These findings highlight the potential of LLM-driven program search when integrated with concept-based guidance for tackling challenging generalization problems like ARC.
Authors: Daokun Zhang, Russell Tsuchida, Dino Sejdinovic
Abstract: Label distribution learning (LDL) provides a framework wherein a distribution over categories rather than a single category is predicted, with the aim of addressing ambiguity in labeled data. Existing research on LDL mainly focuses on the task of point estimation, i.e., pinpointing an optimal distribution in the probability simplex conditioned on the input sample. In this paper, we estimate a probability distribution of all possible label distributions over the simplex, by unleashing the expressive power of the recently introduced Squared Neural Family (SNEFY). With the modeled distribution, label distribution prediction can be achieved by performing the expectation operation to estimate the mean of the distribution of label distributions. Moreover, more information about the label distribution can be inferred, such as the prediction reliability and uncertainties. We conduct extensive experiments on the label distribution prediction task, showing that our distribution modeling based method can achieve very competitive label distribution prediction performance compared with the state-of-the-art baselines. Additional experiments on active learning and ensemble learning demonstrate that our probabilistic approach can effectively boost the performance in these settings, by accurately estimating the prediction reliability and uncertainties.
Authors: Yael Itzhakev, Amit Giloni, Yuval Elovici, Asaf Shabtai
Abstract: Machine learning models trained on tabular data are vulnerable to adversarial attacks, even in realistic scenarios where attackers have access only to the model's outputs. Researchers evaluate such attacks by considering metrics like success rate, perturbation magnitude, and query count. However, unlike other data domains, the tabular domain contains complex interdependencies among features, presenting a unique aspect that should be evaluated: the need for the attack to generate coherent samples and ensure feature consistency for indistinguishability. Currently, there is no established methodology for evaluating adversarial samples based on these criteria. In this paper, we address this gap by proposing new evaluation criteria tailored for tabular attacks' quality; we defined anomaly-based framework to assess the distinguishability of adversarial samples and utilize the SHAP explainability technique to identify inconsistencies in the model's decision-making process caused by adversarial samples. These criteria could form the basis for potential detection methods and be integrated into established evaluation metrics for assessing attack's quality Additionally, we introduce a novel technique for perturbing dependent features while maintaining coherence and feature consistency within the sample. We compare different attacks' strategies, examining black-box query-based attacks and transferability-based gradient attacks across four target models. Our experiments, conducted on benchmark tabular datasets, reveal significant differences between the examined attacks' strategies in terms of the attacker's risk and effort and the attacks' quality. The findings provide valuable insights on the strengths, limitations, and trade-offs of various adversarial attacks in the tabular domain, laying a foundation for future research on attacks and defense development.
Authors: Yufei Ma, Zihan Liang, Huangyu Dai, Ben Chen, Dehong Gao, Zhuoran Ran, Wang Zihan, Linbo Jin, Wen Jiang, Guannan Zhang, Xiaoyan Cai, Libin Yang
Abstract: The growing demand for larger-scale models in the development of \textbf{L}arge \textbf{L}anguage \textbf{M}odels (LLMs) poses challenges for efficient training within limited computational resources. Traditional fine-tuning methods often exhibit instability in multi-task learning and rely heavily on extensive training resources. Here, we propose MoDULA (\textbf{M}ixture \textbf{o}f \textbf{D}omain-Specific and \textbf{U}niversal \textbf{L}oR\textbf{A}), a novel \textbf{P}arameter \textbf{E}fficient \textbf{F}ine-\textbf{T}uning (PEFT) \textbf{M}ixture-\textbf{o}f-\textbf{E}xpert (MoE) paradigm for improved fine-tuning and parameter efficiency in multi-task learning. The paradigm effectively improves the multi-task capability of the model by training universal experts, domain-specific experts, and routers separately. MoDULA-Res is a new method within the MoDULA paradigm, which maintains the model's general capability by connecting universal and task-specific experts through residual connections. The experimental results demonstrate that the overall performance of the MoDULA-Flan and MoDULA-Res methods surpasses that of existing fine-tuning methods on various LLMs. Notably, MoDULA-Res achieves more significant performance improvements in multiple tasks while reducing training costs by over 80\% without losing general capability. Moreover, MoDULA displays flexible pluggability, allowing for the efficient addition of new tasks without retraining existing experts from scratch. This progressive training paradigm circumvents data balancing issues, enhancing training efficiency and model stability. Overall, MoDULA provides a scalable, cost-effective solution for fine-tuning LLMs with enhanced parameter efficiency and generalization capability.
Authors: Billy Joe Franks, Moshe Eliasof, Semih Cant\"urk, Guy Wolf, Carola-Bibiane Sch\"onlieb, Sophie Fellenz, Marius Kloft
Abstract: Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these encodings and their potential to serve as foundational representations for graphs remain uncertain. This paper investigates the fine-tuning efficiency, scalability with sample size, and generalization capability of learnable PSEs across diverse graph datasets. Specifically, we evaluate their potential as universal pre-trained models that can be easily adapted to new tasks with minimal fine-tuning and limited data. Furthermore, we assess the expressivity of the learned representations, particularly, when used to augment downstream GNNs. We demonstrate through extensive benchmarking and empirical analysis that PSEs generally enhance downstream models. However, some datasets may require specific PSE-augmentations to achieve optimal performance. Nevertheless, our findings highlight their significant potential to become integral components of future graph foundation models. We provide new insights into the strengths and limitations of PSEs, contributing to the broader discourse on foundation models in graph learning.
Authors: Ashutosh Singh, Khushdeep Singh, Amit Kumar, Abhishek Shrivastava, Santosh Kumar
Abstract: In today's world, stress is a big problem that affects people's health and happiness. More and more people are feeling stressed out, which can lead to lots of health issues like breathing problems, feeling overwhelmed, heart attack, diabetes, etc. This work endeavors to forecast stress and non-stress occurrences among college students by applying various machine learning algorithms: Decision Trees, Random Forest, Support Vector Machines, AdaBoost, Naive Bayes, Logistic Regression, and K-nearest Neighbors. The primary objective of this work is to leverage a research study to predict and mitigate stress and non-stress based on the collected questionnaire dataset. We conducted a workshop with the primary goal of studying the stress levels found among the students. This workshop was attended by Approximately 843 students aged between 18 to 21 years old. A questionnaire was given to the students validated under the guidance of the experts from the All India Institute of Medical Sciences (AIIMS) Raipur, Chhattisgarh, India, on which our dataset is based. The survey consists of 28 questions, aiming to comprehensively understand the multidimensional aspects of stress, including emotional well-being, physical health, academic performance, relationships, and leisure. This work finds that Support Vector Machines have a maximum accuracy for Stress, reaching 95\%. The study contributes to a deeper understanding of stress determinants. It aims to improve college student's overall quality of life and academic success, addressing the multifaceted nature of stress.
Authors: Siyaxolisa Kabane
Abstract: Credit card fraud detection remains a critical challenge in financial security, with machine learning models like XGBoost(eXtreme gradient boosting) emerging as powerful tools for identifying fraudulent transactions. However, the inherent class imbalance in credit card transaction datasets poses significant challenges for model performance. Although sampling techniques are commonly used to address this imbalance, their implementation sometimes precedes the train-test split, potentially introducing data leakage. This study presents a comparative analysis of XGBoost's performance in credit card fraud detection under three scenarios: Firstly without any imbalance handling techniques, secondly with sampling techniques applied only to the training set after the train-test split, and third with sampling techniques applied before the train-test split. We utilized a dataset from Kaggle of 284,807 credit card transactions, containing 0.172\% fraudulent cases, to evaluate these approaches. Our findings show that although sampling strategies enhance model performance, the reliability of results is greatly impacted by when they are applied. Due to a data leakage issue that frequently occurs in machine learning models during the sampling phase, XGBoost models trained on data where sampling was applied prior to the train-test split may have displayed artificially inflated performance metrics. Surprisingly, models trained with sampling techniques applied solely to the training set demonstrated significantly lower results than those with pre-split sampling, all the while preserving the integrity of the evaluation process.
Authors: Weihua Liu, Said Boumaraf, Jianwu Li, Chaochao Lin, Xiabi Liu, Lijuan Niu, Naoufel Werghi
Abstract: Natural gradient descent (NGD) is a powerful optimization technique for machine learning, but the computational complexity of the inverse Fisher information matrix limits its application in training deep neural networks. To overcome this challenge, we propose a novel optimization method for training deep neural networks called structured natural gradient descent (SNGD). Theoretically, we demonstrate that optimizing the original network using NGD is equivalent to using fast gradient descent (GD) to optimize the reconstructed network with a structural transformation of the parameter matrix. Thereby, we decompose the calculation of the global Fisher information matrix into the efficient computation of local Fisher matrices via constructing local Fisher layers in the reconstructed network to speed up the training. Experimental results on various deep networks and datasets demonstrate that SNGD achieves faster convergence speed than NGD while retaining comparable solutions. Furthermore, our method outperforms traditional GDs in terms of efficiency and effectiveness. Thus, our proposed method has the potential to significantly improve the scalability and efficiency of NGD in deep learning applications. Our source code is available at https://github.com/Chaochao-Lin/SNGD.
Authors: Kichang Lee, Jaeho Jin, JaeYeon Park, JeongGil Ko
Abstract: Federated learning enables decentralized model training without sharing raw data, preserving data privacy. However, its vulnerability towards critical security threats, such as gradient inversion and model poisoning by malicious clients, remain unresolved. Existing solutions often address these issues separately, sacrificing either system robustness or model accuracy. This work introduces Tazza, a secure and efficient federated learning framework that simultaneously addresses both challenges. By leveraging the permutation equivariance and invariance properties of neural networks via weight shuffling and shuffled model validation, Tazza enhances resilience against diverse poisoning attacks, while ensuring data confidentiality and high model accuracy. Comprehensive evaluations on various datasets and embedded platforms show that Tazza achieves robust defense with up to 6.7x improved computational efficiency compared to alternative schemes, without compromising performance.
Authors: Kai Yuan, Xiaobing Pei, Haoran Yang
Abstract: Graph Neural Networks (GNNs) have garnered significant interest among researchers due to their impressive performance in graph learning tasks. However, like other deep neural networks, GNNs are also vulnerable to adversarial attacks. In existing adversarial attack methods for GNNs, the metric between the attacked graph and the original graph is usually the attack budget or a measure of global graph properties. However, we have found that it is possible to generate attack graphs that disrupt the primary semantics even within these constraints. To address this problem, we propose a Adversarial Attacks on High-level Semantics in Graph Neural Networks (AHSG), which is a graph structure attack model that ensures the retention of primary semantics. The latent representations of each node can extract rich semantic information by applying convolutional operations on graph data. These representations contain both task-relevant primary semantic information and task-irrelevant secondary semantic information. The latent representations of same-class nodes with the same primary semantics can fulfill the objective of modifying secondary semantics while preserving the primary semantics. Finally, the latent representations with attack effects is mapped to an attack graph using Projected Gradient Descent (PGD) algorithm. By attacking graph deep learning models with some advanced defense strategies, we validate that AHSG has superior attack effectiveness compared to other attack methods. Additionally, we employ Contextual Stochastic Block Models (CSBMs) as a proxy for the primary semantics to detect the attacked graph, confirming that AHSG almost does not disrupt the original primary semantics of the graph.
Authors: Smruti Jagtap, Kanika Jadhav, Rushikesh Temkar, Minal Deshmukh
Abstract: The hearing-impaired community in India deserves the access to tools that help them communicate, however, there is limited known technology solutions that make use of Indian Sign Language (ISL) at present. Even though there are many ISL users, ISL cannot access social and education arenas because there is not yet an efficient technology to convert the ISL signal into speech or text. We initiated this initiative owing to the rising demand for products and technologies that are inclusive and help ISL, filling the gap of communication for the ones with hearing disability. Our goal is to build an reliable sign language recognition system with the help of Convolutional Neural Networks (CNN) to . By expanding communication access, we aspire toward better educational opportunities and a more inclusive society for hearing impaired people in India.
Authors: Hongshu Guo, Zeyuan Ma, Jiacheng Chen, Yining Ma, Zhiguang Cao, Xinglin Zhang, Yue-Jiao Gong
Abstract: Recent advances in Meta-learning for Black-Box Optimization (MetaBBO) have shown the potential of using neural networks to dynamically configure evolutionary algorithms (EAs), enhancing their performance and adaptability across various BBO instances. However, they are often tailored to a specific EA, which limits their generalizability and necessitates retraining or redesigns for different EAs and optimization problems. To address this limitation, we introduce ConfigX, a new paradigm of the MetaBBO framework that is capable of learning a universal configuration agent (model) for boosting diverse EAs. To achieve so, our ConfigX first leverages a novel modularization system that enables the flexible combination of various optimization sub-modules to generate diverse EAs during training. Additionally, we propose a Transformer-based neural network to meta-learn a universal configuration policy through multitask reinforcement learning across a designed joint optimization task space. Extensive experiments verify that, our ConfigX, after large-scale pre-training, achieves robust zero-shot generalization to unseen tasks and outperforms state-of-the-art baselines. Moreover, ConfigX exhibits strong lifelong learning capabilities, allowing efficient adaptation to new tasks through fine-tuning. Our proposed ConfigX represents a significant step toward an automatic, all-purpose configuration agent for EAs.
Authors: Koby Bibas
Abstract: Machine learning models have exhibited exceptional results in various domains. The most prevalent approach for learning is the empirical risk minimizer (ERM), which adapts the model's weights to reduce the loss on a training set and subsequently leverages these weights to predict the label for new test data. Nonetheless, ERM makes the assumption that the test distribution is similar to the training distribution, which may not always hold in real-world situations. In contrast, the predictive normalized maximum likelihood (pNML) was proposed as a min-max solution for the individual setting where no assumptions are made on the distribution of the tested input. This study investigates pNML's learnability for linear regression and neural networks, and demonstrates that pNML can improve the performance and robustness of these models on various tasks. Moreover, the pNML provides an accurate confidence measure for its output, showcasing state-of-the-art results for out-of-distribution detection, resistance to adversarial attacks, and active learning.
Authors: Aryan Bhosale, Samrat Mukherjee, Biplab Banerjee, Fabio Cuzzolin
Abstract: This paper explores the utility of diffusion-based models for anomaly detection, focusing on their efficacy in identifying deviations in both compact and high-resolution datasets. Diffusion-based architectures, including Denoising Diffusion Probabilistic Models (DDPMs) and Diffusion Transformers (DiTs), are evaluated for their performance using reconstruction objectives. By leveraging the strengths of these models, this study benchmarks their performance against traditional anomaly detection methods such as Isolation Forests, One-Class SVMs, and COPOD. The results demonstrate the superior adaptability, scalability, and robustness of diffusion-based methods in handling complex real-world anomaly detection tasks. Key findings highlight the role of reconstruction error in enhancing detection accuracy and underscore the scalability of these models to high-dimensional datasets. Future directions include optimizing encoder-decoder architectures and exploring multi-modal datasets to further advance diffusion-based anomaly detection.
Authors: Amin Abyaneh, Mahrokh G. Boroujeni, Hsiu-Chin Lin, Giancarlo Ferrari-Trecate
Abstract: Imitation learning is a data-driven approach to learning policies from expert behavior, but it is prone to unreliable outcomes in out-of-sample (OOS) regions. While previous research relying on stable dynamical systems guarantees convergence to a desired state, it often overlooks transient behavior. We propose a framework for learning policies using modeled by contractive dynamical systems, ensuring that all policy rollouts converge regardless of perturbations, and in turn, enable efficient OOS recovery. By leveraging recurrent equilibrium networks and coupling layers, the policy structure guarantees contractivity for any parameter choice, which facilitates unconstrained optimization. Furthermore, we provide theoretical upper bounds for worst-case and expected loss terms, rigorously establishing the reliability of our method in deployment. Empirically, we demonstrate substantial OOS performance improvements in robotics manipulation and navigation tasks in simulation.
Authors: Yiqian Yang, Xihua Zhu, Fan Zhang
Abstract: Adversarial training with Normalizing Flow (NF) models is an emerging research area aimed at improving model robustness through adversarial samples. In this study, we focus on applying adversarial training to NF models for gravitational wave parameter estimation. We propose an adaptive epsilon method for Fast Gradient Sign Method (FGSM) adversarial training, which dynamically adjusts perturbation strengths based on gradient magnitudes using logarithmic scaling. Our hybrid architecture, combining ResNet and Inverse Autoregressive Flow, reduces the Negative Log Likelihood (NLL) loss by 47\% under FGSM attacks compared to the baseline model, while maintaining an NLL of 4.2 on clean data (only 5\% higher than the baseline). For perturbation strengths between 0.01 and 0.1, our model achieves an average NLL of 5.8, outperforming both fixed-epsilon (NLL: 6.7) and progressive-epsilon (NLL: 7.2) methods. Under stronger Projected Gradient Descent attacks with perturbation strength of 0.05, our model maintains an NLL of 6.4, demonstrating superior robustness while avoiding catastrophic overfitting.
Authors: Pablo Zivic, Hernan Vazquez, Jorge Sanchez
Abstract: Modeling user preferences has been mainly addressed by looking at users' interaction history with the different elements available in the system. Tailoring content to individual preferences based on historical data is the main goal of sequential recommendation. The nature of the problem, as well as the good performance observed across various domains, has motivated the use of the transformer architecture, which has proven effective in leveraging increasingly larger amounts of training data when accompanied by an increase in the number of model parameters. This scaling behavior has brought a great deal of attention, as it provides valuable guidance in the design and training of even larger models. Taking inspiration from the scaling laws observed in training large language models, we explore similar principles for sequential recommendation. We use the full Amazon Product Data dataset, which has only been partially explored in other studies, and reveal scaling behaviors similar to those found in language models. Compute-optimal training is possible but requires a careful analysis of the compute-performance trade-offs specific to the application. We also show that performance scaling translates to downstream tasks by fine-tuning larger pre-trained models on smaller task-specific domains. Our approach and findings provide a strategic roadmap for model training and deployment in real high-dimensional preference spaces, facilitating better training and inference efficiency. We hope this paper bridges the gap between the potential of transformers and the intrinsic complexities of high-dimensional sequential recommendation in real-world recommender systems. Code and models can be found at https://github.com/mercadolibre/srt
Authors: Moritz Piening, Matthias Chung
Abstract: Wasserstein distances greatly influenced and coined various types of generative neural network models. Wasserstein autoencoders are particularly notable for their mathematical simplicity and straight-forward implementation. However, their adaptation to the conditional case displays theoretical difficulties. As a remedy, we propose the use of two paired autoencoders. Under the assumption of an optimal autoencoder pair, we leverage the pairwise independence condition of our prescribed Gaussian latent distribution to overcome this theoretical hurdle. We conduct several experiments to showcase the practical applicability of the resulting paired Wasserstein autoencoders. Here, we consider imaging tasks and enable conditional sampling for denoising, inpainting, and unsupervised image translation. Moreover, we connect our image translation model to the Monge map behind Wasserstein-2 distances.
Authors: Yanwei Yue, Guibin Zhang, Haoran Yang, Dawei Cheng
Abstract: Graph Neural Networks (GNNs) demonstrate superior performance in various graph learning tasks, yet their wider real-world application is hindered by the computational overhead when applied to large-scale graphs. To address the issue, the Graph Lottery Hypothesis (GLT) has been proposed, advocating the identification of subgraphs and subnetworks, \textit{i.e.}, winning tickets, without compromising performance. The effectiveness of current GLT methods largely stems from the use of iterative magnitude pruning (IMP), which offers higher stability and better performance than one-shot pruning. However, identifying GLTs is highly computationally expensive, due to the iterative pruning and retraining required by IMP. In this paper, we reevaluate the correlation between one-shot pruning and IMP: while one-shot tickets are suboptimal compared to IMP, they offer a \textit{fast track} to tickets with a stronger performance. We introduce a one-shot pruning and denoising framework to validate the efficacy of the \textit{fast track}. Compared to current IMP-based GLT methods, our framework achieves a double-win situation of graph lottery tickets with \textbf{higher sparsity} and \textbf{faster speeds}. Through extensive experiments across 4 backbones and 6 datasets, our method demonstrates $1.32\% - 45.62\%$ improvement in weight sparsity and a $7.49\% - 22.71\%$ increase in graph sparsity, along with a $1.7-44 \times$ speedup over IMP-based methods and $95.3\%-98.6\%$ MAC savings.
Authors: Paul Hagemann, Janina Sch\"utte, David Sommer, Martin Eigel, Gabriele Steidl
Abstract: Our method proposes the efficient generation of samples from an unnormalized Boltzmann density by solving the underlying continuity equation in the low-rank tensor train (TT) format. It is based on the annealing path commonly used in MCMC literature, which is given by the linear interpolation in the space of energies. Inspired by Sequential Monte Carlo, we alternate between deterministic time steps from the TT representation of the flow field and stochastic steps, which include Langevin and resampling steps. These adjust the relative weights of the different modes of the target distribution and anneal to the correct path distribution. We showcase the efficiency of our method on multiple numerical examples.
Authors: Lev V. Utkin, Semen P. Khomets, Vlada A. Efremenko, Andrei V. Konstantinov
Abstract: Many ensemble-based models have been proposed to solve machine learning problems in the survival analysis framework, including random survival forests, the gradient boosting machine with weak survival models, ensembles of the Cox models. To extend the set of models, a new ensemble-based model called SurvBETA (the Survival Beran estimator Ensemble using Three Attention mechanisms) is proposed where the Beran estimator is used as a weak learner in the ensemble. The Beran estimator can be regarded as a kernel regression model taking into account the relationship between instances. Outputs of weak learners in the form of conditional survival functions are aggregated with attention weights taking into account the distance between the analyzed instance and prototypes of all bootstrap samples. The attention mechanism is used three times: for implementation of the Beran estimators, for determining specific prototypes of bootstrap samples and for aggregating the weak model predictions. The proposed model is presented in two forms: in a general form requiring to solve a complex optimization problem for its training; in a simplified form by considering a special representation of the attention weights by means of the imprecise Huber's contamination model which leads to solving a simple optimization problem. Numerical experiments illustrate properties of the model on synthetic data and compare the model with other survival models on real data. A code implementing the proposed model is publicly available.
Authors: Reza Bayat, Mohammad Pezeshki, Elvis Dohmatob, David Lopez-Paz, Pascal Vincent
Abstract: Neural networks often learn simple explanations that fit the majority of the data while memorizing exceptions that deviate from these explanations.This behavior leads to poor generalization when the learned explanations rely on spurious correlations. In this work, we formalize the interplay between memorization and generalization, showing that spurious correlations would particularly lead to poor generalization when are combined with memorization. Memorization can reduce training loss to zero, leaving no incentive to learn robust, generalizable patterns. To address this, we propose memorization-aware training (MAT), which uses held-out predictions as a signal of memorization to shift a model's logits. MAT encourages learning robust patterns invariant across distributions, improving generalization under distribution shifts.
Authors: Anant Prakash Awasthi, Chandraketu Singh, Rakshit Varma, Sanchit Sharma
Abstract: The growing reliance on artificial intelligence (AI) in customer support has significantly improved operational efficiency and user experience. However, traditional machine learning (ML) approaches, which require extensive local training on sensitive datasets, pose substantial privacy risks and compliance challenges with regulations like the General Data Protection Regulation (GDPR) and California Consumer Privacy Act (CCPA). Existing privacy-preserving techniques, such as anonymization, differential privacy, and federated learning, address some concerns but face limitations in utility, scalability, and complexity. This paper introduces the Privacy-Preserving Zero-Shot Learning (PP-ZSL) framework, a novel approach leveraging large language models (LLMs) in a zero-shot learning mode. Unlike conventional ML methods, PP-ZSL eliminates the need for local training on sensitive data by utilizing pre-trained LLMs to generate responses directly. The framework incorporates real-time data anonymization to redact or mask sensitive information, retrieval-augmented generation (RAG) for domain-specific query resolution, and robust post-processing to ensure compliance with regulatory standards. This combination reduces privacy risks, simplifies compliance, and enhances scalability and operational efficiency. Empirical analysis demonstrates that the PP-ZSL framework provides accurate, privacy-compliant responses while significantly lowering the costs and complexities of deploying AI-driven customer support systems. The study highlights potential applications across industries, including financial services, healthcare, e-commerce, legal support, telecommunications, and government services. By addressing the dual challenges of privacy and performance, this framework establishes a foundation for secure, efficient, and regulatory-compliant AI applications in customer interactions.
Authors: Khandker Sadia Rahman, Charalampos Chelmis
Abstract: In recent years, there has been growing interest in leveraging machine learning for homeless service assignment. However, the categorical nature of administrative data recorded for homeless individuals hinders the development of accurate machine learning methods for this task. This work asserts that deriving latent representations of such features, while at the same time leveraging underlying relationships between instances is crucial in algorithmically enhancing the existing assignment decision-making process. Our proposed approach learns temporal and functional relationships between services from historical data, as well as unobserved but relevant relationships between individuals to generate features that significantly improve the prediction of the next service assignment compared to the state-of-the-art.
Authors: Korbinian P\"oppel, Maximilian Beck, Sepp Hochreiter
Abstract: While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as well as modern variants like sLSTM do have these capabilities at the cost of strictly sequential processing. While this is often seen as a strong limitation, we show how fast these networks can get with our hardware-optimization FlashRNN in Triton and CUDA, optimizing kernels to the register level on modern GPUs. We extend traditional RNNs with a parallelization variant that processes multiple RNNs of smaller hidden state in parallel, similar to the head-wise processing in Transformers. To enable flexibility on different GPU variants, we introduce a new optimization framework for hardware-internal cache sizes, memory and compute handling. It models the hardware in a setting using polyhedral-like constraints, including the notion of divisibility. This speeds up the solution process in our ConstrINT library for general integer constraint satisfaction problems (integer CSPs). We show that our kernels can achieve 50x speed-ups over a vanilla PyTorch implementation and allow 40x larger hidden sizes compared to our Triton implementation. Our open-source kernels and the optimization library are released here to boost research in the direction of state-tracking enabled RNNs and sequence modeling: \url{https://github.com/NX-AI/flashrnn}
Authors: Zhiyuan Zhou, Andy Peng, Qiyang Li, Sergey Levine, Aviral Kumar
Abstract: The modern paradigm in machine learning involves pre-training on diverse data, followed by task-specific fine-tuning. In reinforcement learning (RL), this translates to learning via offline RL on a diverse historical dataset, followed by rapid online RL fine-tuning using interaction data. Most RL fine-tuning methods require continued training on offline data for stability and performance. However, this is undesirable because training on diverse offline data is slow and expensive for large datasets, and in principle, also limit the performance improvement possible because of constraints or pessimism on offline data. In this paper, we show that retaining offline data is unnecessary as long as we use a properly-designed online RL approach for fine-tuning offline RL initializations. To build this approach, we start by analyzing the role of retaining offline data in online fine-tuning. We find that continued training on offline data is mostly useful for preventing a sudden divergence in the value function at the onset of fine-tuning, caused by a distribution mismatch between the offline data and online rollouts. This divergence typically results in unlearning and forgetting the benefits of offline pre-training. Our approach, Warm-start RL (WSRL), mitigates the catastrophic forgetting of pre-trained initializations using a very simple idea. WSRL employs a warmup phase that seeds the online RL run with a very small number of rollouts from the pre-trained policy to do fast online RL. The data collected during warmup helps ``recalibrate'' the offline Q-function to the online distribution, allowing us to completely discard offline data without destabilizing the online RL fine-tuning. We show that WSRL is able to fine-tune without retaining any offline data, and is able to learn faster and attains higher performance than existing algorithms irrespective of whether they retain offline data or not.
Authors: Zhen Liu, Tim Z. Xiao, Weiyang Liu, Yoshua Bengio, Dinghuai Zhang
Abstract: While one commonly trains large diffusion models by collecting datasets on target downstream tasks, it is often desired to align and finetune pretrained diffusion models on some reward functions that are either designed by experts or learned from small-scale datasets. Existing methods for finetuning diffusion models typically suffer from lack of diversity in generated samples, lack of prior preservation, and/or slow convergence in finetuning. Inspired by recent successes in generative flow networks (GFlowNets), a class of probabilistic models that sample with the unnormalized density of a reward function, we propose a novel GFlowNet method dubbed Nabla-GFlowNet (abbreviated as $\nabla$-GFlowNet), the first GFlowNet method that leverages the rich signal in reward gradients, together with an objective called $\nabla$-DB plus its variant residual $\nabla$-DB designed for prior-preserving diffusion alignment. We show that our proposed method achieves fast yet diversity- and prior-preserving alignment of Stable Diffusion, a large-scale text-conditioned image diffusion model, on different realistic reward functions.
Authors: Karol Radziszewski, Piotr Ociepka
Abstract: We present a large-scale news recommendation system implemented at Ringier Axel Springer Polska, focusing on enhancing prediction models with reinforcement learning techniques. The system, named Aureus, integrates a variety of algorithms, including multi-armed bandit methods and deep learning models based on large language models (LLMs). We detail the architecture and implementation of Aureus, emphasizing the significant improvements in online metrics achieved by combining ranking prediction models with reinforcement learning. The paper further explores the impact of different models mixing on key business performance indicators. Our approach effectively balances the need for personalized recommendations with the ability to adapt to rapidly changing news content, addressing common challenges such as the cold start problem and content freshness. The results of online evaluation demonstrate the effectiveness of the proposed system in a real-world production environment.
Authors: Subhasis Dasgupta, Pratik Satpati, Ishika Choudhary, Jaydip Sen
Abstract: In the recent past, there were several works on the prediction of stock price using different methods. Sentiment analysis of news and tweets and relating them to the movement of stock prices have already been explored. But, when we talk about the news, there can be several topics such as politics, markets, sports etc. It was observed that most of the prior analyses dealt with news or comments associated with particular stock prices only or the researchers dealt with overall sentiment scores only. However, it is quite possible that different topics having different levels of impact on the movement of the stock price or an index. The current study focused on bridging this gap by analysing the movement of Nifty 50 index with respect to the sentiments associated with news items related to various different topic such as sports, politics, markets etc. The study established that sentiment scores of news items of different other topics also have a significant impact on the movement of the index.
Authors: Chang Bi, Kailun Bai, Xing Li, Xuekui Zhang
Abstract: We introduce HiCat (Hybrid Cell Annotation using Transformative embeddings), a novel semi-supervised pipeline for annotating cell types from single-cell RNA sequencing data. HiCat fuses the strengths of supervised learning for known cell types with unsupervised learning to identify novel types. This hybrid approach incorporates both reference and query genomic data for feature engineering, enhancing the embedding learning process, increasing the effective sample size for unsupervised techniques, and improving the transferability of the supervised model trained on reference data when applied to query datasets. The pipeline follows six key steps: (1) removing batch effects using Harmony to generate a 50-dimensional principal component embedding; (2) applying UMAP for dimensionality reduction to two dimensions to capture crucial data patterns; (3) conducting unsupervised clustering of cells with DBSCAN, yielding a one-dimensional cluster membership vector; (4) merging the multi-resolution results of the previous steps into a 53-dimensional feature space that encompasses both reference and query data; (5) training a CatBoost model on the reference dataset to predict cell types in the query dataset; and (6) resolving inconsistencies between the supervised predictions and unsupervised cluster labels. When benchmarked on 10 publicly available genomic datasets, HiCat surpasses other methods, particularly in differentiating and identifying multiple new cell types. Its capacity to accurately classify novel cell types showcases its robustness and adaptability within intricate biological datasets.
Authors: Sanjay Chakraborty
Abstract: The working environment in healthcare analytics is transforming with the emergence of healthcare 5.0 and the advancements in quantum neural networks. In addition to analyzing a comprehensive set of case studies, we also review relevant literature from the fields of quantum computing applications and smart healthcare analytics, focusing on the implications of quantum deep neural networks. This study aims to shed light on the existing research gaps regarding the implications of quantum neural networks in healthcare analytics. We argue that the healthcare industry is currently transitioning from automation towards genuine collaboration with quantum networks, which presents new avenues for research and exploration. Specifically, this study focuses on evaluating the performance of Healthcare 5.0, which involves the integration of diverse quantum machine learning and quantum neural network systems. This study also explores a range of potential challenges and future directions for Healthcare 5.0, particularly focusing on the integration of quantum neural networks.
Authors: Kyle Higgins, Olga P. Nyssen, Joshua Southern, Ivan Laponogov, AIDA CONSORTIUM, Dennis Veselkov, Javier P. Gisbert, Tania Fleitas Kanonnikoff, Kirill Veselkov
Abstract: Helicobacter pylori (H. pylori) is the most common carcinogenic pathogen worldwide. Infecting roughly 1 in 2 individuals globally, it is the leading cause of peptic ulcer disease, chronic gastritis, and gastric cancer. To investigate whether personalized treatments would be optimal for patients suffering from infection, we developed the H. pylori AI-clinician recommendation system. This system was trained on data from tens of thousands of H. pylori-infected patients from Hp-EuReg, orders of magnitude greater than those experienced by a single real-world clinician. We first used a simulated dataset and demonstrated the ability of our AI Clinician method to identify patient subgroups that would benefit from differential optimal treatments. Next, we trained the AI Clinician on Hp-EuReg, demonstrating the AI Clinician reproduces known quality estimates of treatments, for example bismuth and quadruple therapies out-performing triple, with longer durations and higher dose proton pump inhibitor (PPI) showing higher quality estimation on average. Next we demonstrated that treatment was optimized by recommended personalized therapies in patient subsets, where 65% of patients were recommended a bismuth therapy of either metronidazole, tetracycline, and bismuth salts with PPI, or bismuth quadruple therapy with clarithromycin, amoxicillin, and bismuth salts with PPI, and 15% of patients recommended a quadruple non-bismuth therapy of clarithromycin, amoxicillin, and metronidazole with PPI. Finally, we determined trends in patient variables driving the personalized recommendations using random forest modelling. With around half of the world likely to experience H. pylori infection at some point in their lives, the identification of personalized optimal treatments will be crucial in both gastric cancer prevention and quality of life improvements for countless individuals worldwide.
Authors: Siyuan Guo, Lexuan Wang, Chang Jin, Jinxian Wang, Han Peng, Huayang Shi, Wengen Li, Jihong Guan, Shuigeng Zhou
Abstract: This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M$^{3}$-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M$^{3}$-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M$^{3}$-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M$^{3}$-20M in supporting AI-driven drug design and discovery. The dataset is available at \url{https://github.com/bz99bz/M-3}.
Authors: Kensuke Mitsuzawa, Margherita Grossi, Stefano Bortoli, Motonobu Kanagawa
Abstract: Given a pair of multivariate time-series data of the same length and dimensions, an approach is proposed to select variables and time intervals where the two series are significantly different. In applications where one time series is an output from a computationally expensive simulator, the approach may be used for validating the simulator against real data, for comparing the outputs of two simulators, and for validating a machine learning-based emulator against the simulator. With the proposed approach, the entire time interval is split into multiple subintervals, and on each subinterval, the two sample sets are compared to select variables that distinguish their distributions and a two-sample test is performed. The validity and limitations of the proposed approach are investigated in synthetic data experiments. Its usefulness is demonstrated in an application with a particle-based fluid simulator, where a deep neural network model is compared against the simulator, and in an application with a microscopic traffic simulator, where the effects of changing the simulator's parameters on traffic flows are analysed.
Authors: Zhaorun Chen, Francesco Pinto, Minzhou Pan, Bo Li
Abstract: With the rise of generative AI and rapid growth of high-quality video generation, video guardrails have become more crucial than ever to ensure safety and security across platforms. Current video guardrails, however, are either overly simplistic, relying on pure classification models trained on simple policies with limited unsafe categories, which lack detailed explanations, or prompting multimodal large language models (MLLMs) with long safety guidelines, which are inefficient and impractical for guardrailing real-world content. To bridge this gap, we propose SafeWatch, an efficient MLLM-based video guardrail model designed to follow customized safety policies and provide multi-label video guardrail outputs with content-specific explanations in a zero-shot manner. In particular, unlike traditional MLLM-based guardrails that encode all safety policies autoregressively, causing inefficiency and bias, SafeWatch uniquely encodes each policy chunk in parallel and eliminates their position bias such that all policies are attended simultaneously with equal importance. In addition, to improve efficiency and accuracy, SafeWatch incorporates a policy-aware visual token pruning algorithm that adaptively selects the most relevant video tokens for each policy, discarding noisy or irrelevant information. This allows for more focused, policy-compliant guardrail with significantly reduced computational overhead. Considering the limitations of existing video guardrail benchmarks, we propose SafeWatch-Bench, a large-scale video guardrail benchmark comprising over 2M videos spanning six safety categories which covers over 30 tasks to ensure a comprehensive coverage of all potential safety scenarios. SafeWatch outperforms SOTA by 28.2% on SafeWatch-Bench, 13.6% on benchmarks, cuts costs by 10%, and delivers top-tier explanations validated by LLM and human reviews.
Authors: Bharath Raj S, Garvit Suri, Vikrant Dewangan, Raghav Sonavane
Abstract: Traditional greedy tokenization methods have been a critical step in Natural Language Processing (NLP), influencing how text is converted into tokens and directly impacting model performance. While subword tokenizers like Byte-Pair Encoding (BPE) are widely used, questions remain about their optimality across model scales and languages. In this work, we demonstrate through extensive experiments that an optimal BPE configuration significantly reduces token count compared to greedy segmentation, yielding improvements in token-saving percentages and performance benefits, particularly for smaller models. We evaluate tokenization performance across various intrinsic and extrinsic tasks, including generation and classification. Our findings suggest that compression-optimized tokenization strategies could provide substantial advantages for multilingual and low-resource language applications, highlighting a promising direction for further research and inclusive NLP.
Authors: Aiden Lewington, Alekhya Vittalam, Anshumaan Singh, Anuja Uppuluri, Arjun Ashok, Ashrith Mandayam Athmaram, Austin Milt, Benjamin Smith, Charlie Weinberger, Chatanya Sarin, Christoph Bergmeir, Cliff Chang, Daivik Patel, Daniel Li, David Bell, Defu Cao, Donghwa Shin, Edward Kang, Edwin Zhang, Enhui Li, Felix Chen, Gabe Smithline, Haipeng Chen, Henry Gasztowtt, Hoon Shin, Jiayun Zhang, Joshua Gray, Khai Hern Low, Kishan Patel, Lauren Hannah Cooke, Marco Burstein, Maya Kalapatapu, Mitali Mittal, Raymond Chen, Rosie Zhao, Sameen Majid, Samya Potlapalli, Shang Wang, Shrenik Patel, Shuheng Li, Siva Komaragiri, Song Lu, Sorawit Siangjaeo, Sunghoo Jung, Tianyu Zhang, Valery Mao, Vikram Krishnakumar, Vincent Zhu, Wesley Kam, Xingzhe Li, Yumeng Liu
Abstract: Advances in artificial intelligence (AI) present significant risks and opportunities, requiring improved governance to mitigate societal harms and promote equitable benefits. Current incentive structures and regulatory delays may hinder responsible AI development and deployment, particularly in light of the transformative potential of large language models (LLMs). To address these challenges, we propose developing the following three contributions: (1) a large multimodal text and economic-timeseries foundation model that integrates economic and natural language policy data for enhanced forecasting and decision-making, (2) algorithmic mechanisms for eliciting diverse and representative perspectives, enabling the creation of data-driven public policy recommendations, and (3) an AI-driven web platform for supporting transparent, inclusive, and data-driven policymaking.
Authors: Osvaldo Gramaxo Freitas, Anastasios Theodoropoulos, Nino Villanueva, Tiago Fernandes, Solange Nunes, Jos\'e A. Font, Antonio Onofre, Alejandro Torres-Forn\'e, Jos\'e D. Martin-Guerrero
Abstract: Gravitational wave approximants are widely used tools in gravitational-wave astronomy. They allow for dense coverage of the parameter space of binary black hole (BBH) mergers for purposes of parameter inference, or, more generally, match filtering tasks, while avoiding the computationally expensive full evolution of numerical relativity simulations. However, this comes at a slight cost in terms of accuracy when compared to numerical relativity waveforms, depending on the approach. One way to minimize this is by constructing so-called~\textit{surrogate models} which, instead of using approximate physics or phenomenological formulae, rather interpolate within the space of numerical relativity waveforms. In this work, we introduce~\texttt{NRSurNN3dq4}, a surrogate model for non-precessing BBH merger waveforms powered by neural networks. By relying on the power of deep learning, this approximant is remarkably fast and competitively accurate, as it can generate millions of waveforms in a tenth of a second, while mismatches with numerical relativity waveforms are restrained below $10^{-3}$. We implement this approximant within the~\textsc{bilby} framework for gravitational-wave parameter inference, and show that it it is suitable for parameter estimation tasks.
Authors: Bardia Nadimi, Ghali Omar Boutaib, Hao Zheng
Abstract: Recently, there has been a growing interest in leveraging Large Language Models for Verilog code generation. However, the current quality of the generated Verilog code remains suboptimal. This is largely due to the absence of well-defined, well-organized datasets with high-quality samples, as well as a lack of innovative fine-tuning methods and models specifically trained on Verilog. In this paper, we introduce a novel open-source dataset and a corresponding fine-tuning technique, which utilizes a multi-layered structure that we refer to as PyraNet. Our experiments demonstrate that employing the proposed dataset and fine-tuning approach leads to a more accurate fine-tuned model, producing syntactically and functionally correct Verilog code. The evaluation results show improvements by up-to $32.6\%$ in comparison to the CodeLlama-7B baseline model and up-to $16.7\%$ in comparison to the state-of-the-art models using VerilogEval evaluation platform.
Authors: Ahmad Bin Rabiah, Nafis Sadeq, Julian McAuley
Abstract: Conversational recommendation systems (CRS) leverage contextual information from conversations to generate recommendations but often struggle due to a lack of collaborative filtering (CF) signals, which capture user-item interaction patterns essential for accurate recommendations. We introduce Reddit-ML32M, a dataset that links reddit conversations with interactions on MovieLens 32M, to enrich item representations by leveraging collaborative knowledge and addressing interaction sparsity in conversational datasets. We propose an LLM-based framework that uses Reddit-ML32M to align LLM-generated recommendations with CF embeddings, refining rankings for better performance. We evaluate our framework against three sets of baselines: CF-based recommenders using only interactions from CRS tasks, traditional CRS models, and LLM-based methods relying on conversational context without item representations. Our approach achieves consistent improvements, including a 12.32% increase in Hit Rate and a 9.9% improvement in NDCG, outperforming the best-performing baseline that relies on conversational context but lacks collaborative item representations.
Authors: Rozina L. Myoya, Vukosi Marivate, Idris Abdulmumin
Abstract: Public transport systems in many Sub-Saharan countries often receive less attention compared to other sectors, underscoring the need for innovative solutions to improve the Quality of Service (QoS) and overall user experience. This study explored commuter opinion mining to understand sentiments toward existing public transport systems in Kenya, Tanzania, and South Africa. We used a qualitative research design, analysing data from X (formerly Twitter) to assess sentiments across rail, mini-bus taxis, and buses. By leveraging Multilingual Opinion Mining techniques, we addressed the linguistic diversity and code-switching present in our dataset, thus demonstrating the application of Natural Language Processing (NLP) in extracting insights from under-resourced languages. We employed PLMs such as AfriBERTa, AfroXLMR, AfroLM, and PuoBERTa to conduct the sentiment analysis. The results revealed predominantly negative sentiments in South Africa and Kenya, while the Tanzanian dataset showed mainly positive sentiments due to the advertising nature of the tweets. Furthermore, feature extraction using the Word2Vec model and K-Means clustering illuminated semantic relationships and primary themes found within the different datasets. By prioritising the analysis of user experiences and sentiments, this research paves the way for developing more responsive, user-centered public transport systems in Sub-Saharan countries, contributing to the broader goal of improving urban mobility and sustainability.
Authors: Fu Wang, Xinquan Huang, Tariq Alkhalifah
Abstract: Full waveform inversion (FWI) often faces challenges due to inadequate seismic observations, resulting in band-limited and geologically inaccurate inversion results. Incorporating prior information from potential velocity distributions, well-log information, and our geological knowledge and expectations can significantly improve FWI convergence to a realistic model. While diffusion-regularized FWI has shown improved performance compared to conventional FWI by incorporating the velocity distribution prior, it can benefit even more by incorporating well-log information and other geological knowledge priors. To leverage this fact, we propose a geological class and well-information prior-assisted FWI using conditional diffusion models. This method seamlessly integrates multi-modal information into FWI, simultaneously achieving data fitting and universal geologic and geophysics prior matching, which is often not achieved with traditional regularization methods. Specifically, we propose to combine conditional diffusion models with FWI, where we integrate well-log data and geological class conditions into these conditional diffusion models using classifier-free guidance for multi-modal prior matching beyond the original velocity distribution prior. Numerical experiments on the OpenFWI datasets and field marine data demonstrate the effectiveness of our method compared to conventional FWI and the unconditional diffusion-regularized FWI.
Authors: Yash Savani, Marc Finzi, J. Zico Kolter
Abstract: We introduce a novel, training-free method for sampling differentiable representations (diffreps) using pretrained diffusion models. Rather than merely mode-seeking, our method achieves sampling by "pulling back" the dynamics of the reverse-time process--from the image space to the diffrep parameter space--and updating the parameters according to this pulled-back process. We identify an implicit constraint on the samples induced by the diffrep and demonstrate that addressing this constraint significantly improves the consistency and detail of the generated objects. Our method yields diffreps with substantially improved quality and diversity for images, panoramas, and 3D NeRFs compared to existing techniques. Our approach is a general-purpose method for sampling diffreps, expanding the scope of problems that diffusion models can tackle.
Authors: Guy Kornowski, Ohad Shamir
Abstract: We study the problem of solving matrix games of the form $\max_{\mathbf{w}\in\mathcal{W}}\min_{\mathbf{p}\in\Delta}\mathbf{p}^{\top}A\mathbf{w}$, where $A$ is some matrix and $\Delta$ is the probability simplex. This problem encapsulates canonical tasks such as finding a linear separator and computing Nash equilibria in zero-sum games. However, perhaps surprisingly, its inherent complexity (as formalized in the standard framework of oracle complexity [Nemirovski and Yudin, 1983]) is not well-understood. In this work, we first identify different oracle models which are implicitly used by prior algorithms, amounting to multiplying the matrix $A$ by a vector from either one or both sides. We then prove complexity lower bounds for algorithms under both access models, which in particular imply a separation between them. Specifically, we start by proving that algorithms for linear separability based on one-sided multiplications must require $\Omega(\gamma_A^{-2})$ iterations, where $\gamma_A$ is the margin, as matched by the Perceptron algorithm. We then prove that accelerated algorithms for this task, which utilize multiplications from both sides, must require $\tilde{\Omega}(\gamma_{A}^{-2/3})$ iterations, establishing the first oracle complexity barrier for such algorithms. Finally, by adapting our lower bound to $\ell_1$ geometry, we prove that computing an $\epsilon$-approximate Nash equilibrium requires $\tilde{\Omega}(\epsilon^{-2/5})$ iterations, which is an exponential improvement over the previously best-known lower bound due to Hadiji et al. [2024].
Authors: Le Song, Eran Segal, Eric Xing
Abstract: We present an approach of using AI to model and simulate biology and life. Why is it important? Because at the core of medicine, pharmacy, public health, longevity, agriculture and food security, environmental protection, and clean energy, it is biology at work. Biology in the physical world is too complex to manipulate and always expensive and risky to tamper with. In this perspective, we layout an engineering viable approach to address this challenge by constructing an AI-Driven Digital Organism (AIDO), a system of integrated multiscale foundation models, in a modular, connectable, and holistic fashion to reflect biological scales, connectedness, and complexities. An AIDO opens up a safe, affordable and high-throughput alternative platform for predicting, simulating and programming biology at all levels from molecules to cells to individuals. We envision that an AIDO is poised to trigger a new wave of better-guided wet-lab experimentation and better-informed first-principle reasoning, which can eventually help us better decode and improve life.
Authors: Amirhossein Abaskohi, Spandana Gella, Giuseppe Carenini, Issam H. Laradji
Abstract: Multimodal multihop question answering is a complex task that requires reasoning over multiple sources of information, such as images and text, to answer questions. While there has been significant progress in visual question answering, the multihop setting remains unexplored due to the lack of high-quality datasets. Current methods focus on single-hop question answering or a single modality, which makes them unsuitable for real-world scenarios such as analyzing multimodal educational materials, summarizing lengthy academic articles, or interpreting scientific studies that combine charts, images, and text. To address this gap, we propose a novel methodology, introducing the first framework for creating a high-quality dataset that enables training models for multimodal multihop question answering. Our approach consists of a 5-stage pipeline that involves acquiring relevant multimodal documents from Wikipedia, synthetically generating high-level questions and answers, and validating them through rigorous criteria to ensure quality data. We evaluate our methodology by training models on our synthesized dataset and testing on two benchmarks, our results demonstrate that, with an equal sample size, models trained on our synthesized data outperform those trained on human-collected data by 1.9 in exact match (EM) on average. We believe our data synthesis method will serve as a strong foundation for training and evaluating multimodal multihop question answering models.
Authors: Mengying Lei, Lijun Sun
Abstract: Real-world datasets often contain missing or corrupted values. Completing multidimensional tensor-structured data with missing entries is essential for numerous applications. Smoothness-constrained low-rank factorization models have shown superior performance with reduced computational costs. While effective at capturing global and long-range correlations, these models struggle to reproduce short-scale, high-frequency variations in the data. In this paper, we introduce the \Generalized Least Squares Kernelized Tensor Factorization (GLSKF) framework for tensor completion. GLSKF integrates smoothness-constrained low-rank factorization with a locally correlated residual process; the resulting additive structure can effectively characterize both global dependencies and local variations. In particular, we define the covariance norm to enforce the smoothness of factor matrices in the global low-rank factorization, and use structured covariance/kernel functions to model the local processes. For model estimation, we develop an alternating least squares (ALS) procedure with closed-form solutions for each subproblem. To efficiently handle missing data, GLSKF utilizes projection matrices that preserve the Kronecker structure of covariances, facilitating fast computations through conjugate gradient (CG) and preconditioned conjugate gradient (PCG) algorithms. The proposed framework is evaluated on four real-world datasets across diverse tasks: traffic speed imputation, color image inpainting, video completion, and MRI image reconstruction. Experimental results confirm that GLSKF delivers superior effectiveness and scalability, establishing it as a robust solution for multidimensional tensor completion.
Authors: Wan He, Tina Eliassi-Rad, Samuel V. Scarpino
Abstract: Classifying genome sequences based on metadata has been an active area of research in comparative genomics for decades with many important applications across the life sciences. Established methods for classifying genomes can be broadly grouped into sequence alignment-based and alignment-free models. Conventional alignment-based models rely on genome similarity measures calculated based on local sequence alignments or consistent ordering among sequences. However, such methods are computationally expensive when dealing with large ensembles of even moderately sized genomes. In contrast, alignment-free (AF) approaches measure genome similarity based on summary statistics in an unsupervised setting and are efficient enough to analyze large datasets. However, both alignment-based and AF methods typically assume fixed scoring rubrics that lack the flexibility to assign varying importance to different parts of the sequences based on prior knowledge. In this study, we integrate AI and network science approaches to develop a comparative genomic analysis framework that addresses these limitations. Our approach, termed the Genome Misclassification Network Analysis (GMNA), simultaneously leverages misclassified instances, a learned scoring rubric, and label information to classify genomes based on associated metadata and better understand potential drivers of misclassification. We evaluate the utility of the GMNA using Naive Bayes and convolutional neural network models, supplemented by additional experiments with transformer-based models, to construct SARS-CoV-2 sampling location classifiers using over 500,000 viral genome sequences and study the resulting network of misclassifications. We demonstrate the global health potential of the GMNA by leveraging the SARS-CoV-2 genome misclassification networks to investigate the role human mobility played in structuring geographic clustering of SARS-CoV-2.
Authors: Yichen Li, Chicheng Zhang
Abstract: Imitation learning (IL) is a general paradigm for learning from experts in sequential decision-making problems. Recent advancements in IL have shown that offline imitation learning, specifically Behavior Cloning (BC) with log loss, is minimax optimal. Meanwhile, its interactive counterpart, DAgger, is shown to suffer from suboptimal sample complexity. In this note, we focus on realizable deterministic expert and revisit interactive imitation learning, particularly DAgger with log loss. We demonstrate: 1. A one-sample-per-round DAgger variant that outperforms BC in state-wise annotation. 2. Without recoverability assumption, DAgger with first-step mixture policies matches the performance of BC. Along the analysis, we introduce a new notion of decoupled Hellinger distance that separates state and action sequences, which can be of independent interest.
Authors: Peter Henderson, Mark A. Lemley
Abstract: Artificial intelligence (AI) model creators commonly attach restrictive terms of use to both their models and their outputs. These terms typically prohibit activities ranging from creating competing AI models to spreading disinformation. Often taken at face value, these terms are positioned by companies as key enforceable tools for preventing misuse, particularly in policy dialogs. But are these terms truly meaningful? There are myriad examples where these broad terms are regularly and repeatedly violated. Yet except for some account suspensions on platforms, no model creator has actually tried to enforce these terms with monetary penalties or injunctive relief. This is likely for good reason: we think that the legal enforceability of these licenses is questionable. This Article systematically assesses of the enforceability of AI model terms of use and offers three contributions. First, we pinpoint a key problem: the artifacts that they protect, namely model weights and model outputs, are largely not copyrightable, making it unclear whether there is even anything to be licensed. Second, we examine the problems this creates for other enforcement. Recent doctrinal trends in copyright preemption may further undermine state-law claims, while other legal frameworks like the DMCA and CFAA offer limited recourse. Anti-competitive provisions likely fare even worse than responsible use provisions. Third, we provide recommendations to policymakers. There are compelling reasons for many provisions to be unenforceable: they chill good faith research, constrain competition, and create quasi-copyright ownership where none should exist. There are, of course, downsides: model creators have fewer tools to prevent harmful misuse. But we think the better approach is for statutory provisions, not private fiat, to distinguish between good and bad uses of AI, restricting the latter.
Authors: Qiang Qu, Xiaoming Chen, Vera Chung, Zhibo Chen
Abstract: In multimedia broadcasting, no-reference image quality assessment (NR-IQA) is used to indicate the user-perceived quality of experience (QoE) and to support intelligent data transmission while optimizing user experience. This paper proposes an improved no-reference light field image quality assessment (NR-LFIQA) metric for future immersive media broadcasting services. First, we extend the concept of depthwise separable convolution (DSC) to the spatial domain of light field image (LFI) and introduce "light field depthwise separable convolution (LF-DSC)", which can extract the LFI's spatial features efficiently. Second, we further theoretically extend the LF-DSC to the angular space of LFI and introduce the novel concept of "light field anglewise separable convolution (LF-ASC)", which is capable of extracting both the spatial and angular features for comprehensive quality assessment with low complexity. Third, we define the spatial and angular feature estimations as auxiliary tasks in aiding the primary NR-LFIQA task by providing spatial and angular quality features as hints. To the best of our knowledge, this work is the first exploration of deep auxiliary learning with spatial-angular hints on NR-LFIQA. Experiments were conducted in mainstream LFI datasets such as Win5-LID and SMART with comparisons to the mainstream full reference IQA metrics as well as the state-of-the-art NR-LFIQA methods. The experimental results show that the proposed metric yields overall 42.86% and 45.95% smaller prediction errors than the second-best benchmarking metric in Win5-LID and SMART, respectively. In some challenging cases with particular distortion types, the proposed metric can reduce the errors significantly by more than 60%.
Authors: Junhua Chen, Lorenz Richter, Julius Berner, Denis Blessing, Gerhard Neumann, Anima Anandkumar
Abstract: An effective approach for sampling from unnormalized densities is based on the idea of gradually transporting samples from an easy prior to the complicated target distribution. Two popular methods are (1) Sequential Monte Carlo (SMC), where the transport is performed through successive annealed densities via prescribed Markov chains and resampling steps, and (2) recently developed diffusion-based sampling methods, where a learned dynamical transport is used. Despite the common goal, both approaches have different, often complementary, advantages and drawbacks. The resampling steps in SMC allow focusing on promising regions of the space, often leading to robust performance. While the algorithm enjoys asymptotic guarantees, the lack of flexible, learnable transitions can lead to slow convergence. On the other hand, diffusion-based samplers are learned and can potentially better adapt themselves to the target at hand, yet often suffer from training instabilities. In this work, we present a principled framework for combining SMC with diffusion-based samplers by viewing both methods in continuous time and considering measures on path space. This culminates in the new Sequential Controlled Langevin Diffusion (SCLD) sampling method, which is able to utilize the benefits of both methods and reaches improved performance on multiple benchmark problems, in many cases using only 10% of the training budget of previous diffusion-based samplers.
Authors: Olaoluwayimika Olugbenle, Logan Drake, Naveenkumar G. Venkataswamy, Arfina Rahman, Yemi Afolayanka, Masudul Imtiaz, Mahesh K. Banavar
Abstract: We present our work on leveraging low-frame-rate monochrome (blue light) videos of fingertips, captured with an off-the-shelf fingerprint capture device, to extract vital signs and identify users. These videos utilize photoplethysmography (PPG), commonly used to measure vital signs like heart rate. While prior research predominantly utilizes high-frame-rate, multi-wavelength PPG sensors (e.g., infrared, red, or RGB), our preliminary findings demonstrate that both user identification and vital sign extraction are achievable with the low-frame-rate data we collected. Preliminary results are promising, with low error rates for both heart rate estimation and user authentication. These results indicate promise for effective biometric systems. We anticipate further optimization will enhance accuracy and advance healthcare and security.
Authors: Sebastian Hereu, Qianfei Hu
Abstract: Convolutional neural networks (CNNs) have been combined with generative adversarial networks (GANs) to create deep convolutional generative adversarial networks (DCGANs) with great success. DCGANs have been used for generating images and videos from creative domains such as fashion design and painting. A common critique of the use of DCGANs in creative applications is that they are limited in their ability to generate creative products because the generator simply learns to copy the training distribution. We explore an extension of DCGANs, creative adversarial networks (CANs). Using CANs, we generate novel, creative portraits, using the WikiArt dataset to train the network. Moreover, we introduce our extension of CANs, conditional creative adversarial networks (CCANs), and demonstrate their potential to generate creative portraits conditioned on a style label. We argue that generating products that are conditioned, or inspired, on a style label closely emulates real creative processes in which humans produce imaginative work that is still rooted in previous styles.
Authors: Taira Tsuchiya, Shinji Ito, Haipeng Luo
Abstract: Learning in games is the problem where multiple players interact in a shared environment, each aiming to minimize their own regret, and it is known that an approximate equilibrium can be obtained when all players employ no-regret algorithms. Notably, by adopting optimistic follow-the-regularized-leader (OFTRL), the regret of each player after $T$ rounds is constant in two-player zero-sum games, implying that an equilibrium can be computed at a faster rate of $O(1/T)$. However, this acceleration is limited to the honest regime, where all players fully adhere to the given algorithms. To address this limitation, this paper presents corrupted learning dynamics that adaptively find an equilibrium at a rate dependent on the degree of deviation by each player from the given algorithm's output. First, in two-player zero-sum games, we provide learning dynamics where the external regret of the x-player (and similarly for the y-player) in the corrupted regime is roughly bounded by $O(\log (m_\mathrm{x} m_\mathrm{y}) + \sqrt{C_\mathrm{y}} + C_\mathrm{x})$, which implies a convergence rate of $\tilde{O}((\sqrt{C_\mathrm{y}} + C_\mathrm{x})/T)$ to a Nash equilibrium. Here, $m_\mathrm{x}$ and $m_\mathrm{y}$ are the number of actions of the x- and y-players, respectively, and $C_\mathrm{x}$ and $C_\mathrm{y}$ are the cumulative deviations of the x- and y-players from their given algorithms. Furthermore, we extend our approach to multi-player general-sum games, showing that the swap regret of player $i$ in the corrupted regime is bounded by $O(\log T + \sqrt{\sum_j C_j \log T} + C_i)$, where $C_i$ is the cumulative deviations of player $i$ from the given algorithm. This implies a convergence rate of $O((\log T + \sqrt{\sum_j C_j \log T} + C_i)/T)$ to a correlated equilibrium. Our learning dynamics are agnostic to the corruption levels and are based on OFTRL with new adaptive learning rates.
Authors: Sayak Chakrabarty, Souradip Pal
Abstract: This paper introduces Multiple Choice Reasoning via. Process of Elimination using Multi-Modal models, herein referred to as Multi-Modal Process of Elimination (MM-PoE). This novel methodology is engineered to augment the efficacy of Vision-Language Models (VLMs) in multiple-choice visual reasoning tasks. Diverging from conventional approaches that evaluate each option independently, MM-PoE employs a dual-step scoring paradigm that initially identifies and excludes implausible choices, subsequently concentrating on the most probable remaining options. This method emulates human test-taking strategies, where individuals typically eliminate clearly incorrect answers prior to selecting the optimal response. Our empirical evaluations, conducted across three benchmark datasets, reveal that MM-PoE significantly improves both zero-shot and few-shot performance of contemporary state-of-the-art VLMs. Critically, this approach not only broadens the application of the elimination process to multi-modal contexts but also allows few-shot experiments, thereby addressing two principal limitations concerning usage of PoE only in zero-shot settings and only with a language-only framework. As a result, MM-PoE not only refines the reasoning capabilities of VLMs but also broadens their applicability to complex visual question-answering scenarios. All code and documentation supporting our work are available at https://pypi.org/project/mm-poe/, enabling researchers and practitioners to easily integrate and further develop these techniques.
Authors: Peijie Qiu, Satrajit Chakrabarty, Phuc Nguyen, Soumyendu Sekhar Ghosh, Aristeidis Sotiras
Abstract: Deep learning has made significant strides in automated brain tumor segmentation from magnetic resonance imaging (MRI) scans in recent years. However, the reliability of these tools is hampered by the presence of poor-quality segmentation outliers, particularly in out-of-distribution samples, making their implementation in clinical practice difficult. Therefore, there is a need for quality control (QC) to screen the quality of the segmentation results. Although numerous automatic QC methods have been developed for segmentation quality screening, most were designed for cardiac MRI segmentation, which involves a single modality and a single tissue type. Furthermore, most prior works only provided subject-level predictions of segmentation quality and did not identify erroneous parts segmentation that may require refinement. To address these limitations, we proposed a novel multi-task deep learning architecture, termed QCResUNet, which produces subject-level segmentation-quality measures as well as voxel-level segmentation error maps for each available tissue class. To validate the effectiveness of the proposed method, we conducted experiments on assessing its performance on evaluating the quality of two distinct segmentation tasks. First, we aimed to assess the quality of brain tumor segmentation results. For this task, we performed experiments on one internal and two external datasets. Second, we aimed to evaluate the segmentation quality of cardiac Magnetic Resonance Imaging (MRI) data from the Automated Cardiac Diagnosis Challenge. The proposed method achieved high performance in predicting subject-level segmentation-quality metrics and accurately identifying segmentation errors on a voxel basis. This has the potential to be used to guide human-in-the-loop feedback to improve segmentations in clinical settings.
Authors: Syed Saim Gardezi, Soyiba Jawed, Mahnoor Khan, Muneeba Bukhari, Rizwan Ahmed Khan
Abstract: A multitude of individuals across the globe grapple with motor disabilities. Neural prosthetics utilizing Brain-Computer Interface (BCI) technology exhibit promise for improving motor rehabilitation outcomes. The intricate nature of EEG data poses a significant hurdle for current BCI systems. Recently, a qualitative repository of EEG signals tied to both upper and lower limb execution of motor and motor imagery tasks has been unveiled. Despite this, the productivity of the Machine Learning (ML) Models that were trained on this dataset was alarmingly deficient, and the evaluation framework seemed insufficient. To enhance outcomes, robust feature engineering (signal processing) methodologies are implemented. A collection of time domain, frequency domain, and wavelet-derived features was obtained from 16-channel EEG signals, and the Maximum Relevance Minimum Redundancy (MRMR) approach was employed to identify the four most significant features. For classification K Nearest Neighbors (KNN), Support Vector Machine (SVM), Decision Tree (DT), and Na\"ive Bayes (NB) models were implemented with these selected features, evaluating their effectiveness through metrics such as testing accuracy, precision, recall, and F1 Score. By leveraging SVM with a Gaussian Kernel, a remarkable maximum testing accuracy of 92.50% for motor activities and 95.48% for imagery activities is achieved. These results are notably more dependable and gratifying compared to the previous study, where the peak accuracy was recorded at 74.36%. This research work provides an in-depth analysis of the MI Limb EEG dataset and it will help in designing and developing simple, cost-effective and reliable BCI systems for neuro-rehabilitation.
Authors: Zhaomeng Chen, Junting Duan, Victor Chernozhukov, Vasilis Syrgkanis
Abstract: This paper proposes the automatic Doubly Robust Random Forest (DRRF) algorithm for estimating the conditional expectation of a moment functional in the presence of high-dimensional nuisance functions. DRRF combines the automatic debiasing framework using the Riesz representer (Chernozhukov et al., 2022) with non-parametric, forest-based estimation methods for the conditional moment (Athey et al., 2019; Oprescu et al., 2019). In contrast to existing methods, DRRF does not require prior knowledge of the form of the debiasing term nor impose restrictive parametric or semi-parametric assumptions on the target quantity. Additionally, it is computationally efficient for making predictions at multiple query points and significantly reduces runtime compared to methods such as Orthogonal Random Forest (Oprescu et al., 2019). We establish the consistency and asymptotic normality results of DRRF estimator under general assumptions, allowing for the construction of valid confidence intervals. Through extensive simulations in heterogeneous treatment effect (HTE) estimation, we demonstrate the superior performance of DRRF over benchmark approaches in terms of estimation accuracy, robustness, and computational efficiency.
Authors: Zachary Coalson, Jeonghyun Woo, Shiyang Chen, Yu Sun, Lishan Yang, Prashant Nair, Bo Fang, Sanghyun Hong
Abstract: We introduce a new class of attacks on commercial-scale (human-aligned) language models that induce jailbreaking through targeted bitwise corruptions in model parameters. Our adversary can jailbreak billion-parameter language models with fewer than 25 bit-flips in all cases$-$and as few as 5 in some$-$using up to 40$\times$ less bit-flips than existing attacks on computer vision models at least 100$\times$ smaller. Unlike prompt-based jailbreaks, our attack renders these models in memory 'uncensored' at runtime, allowing them to generate harmful responses without any input modifications. Our attack algorithm efficiently identifies target bits to flip, offering up to 20$\times$ more computational efficiency than previous methods. This makes it practical for language models with billions of parameters. We show an end-to-end exploitation of our attack using software-induced fault injection, Rowhammer (RH). Our work examines 56 DRAM RH profiles from DDR4 and LPDDR4X devices with different RH vulnerabilities. We show that our attack can reliably induce jailbreaking in systems similar to those affected by prior bit-flip attacks. Moreover, our approach remains effective even against highly RH-secure systems (e.g., 46$\times$ more secure than previously tested systems). Our analyses further reveal that: (1) models with less post-training alignment require fewer bit flips to jailbreak; (2) certain model components, such as value projection layers, are substantially more vulnerable than others; and (3) our method is mechanistically different than existing jailbreaks. Our findings highlight a pressing, practical threat to the language model ecosystem and underscore the need for research to protect these models from bit-flip attacks.
Authors: Yujie Feng, Yin Yang, Xiaohong Fan, Zhengpeng Zhang, Lijing Bu, Jianping Zhang
Abstract: Recently, deep learning methods have gained remarkable achievements in the field of image restoration for remote sensing (RS). However, most existing RS image restoration methods focus mainly on conventional first-order degradation models, which may not effectively capture the imaging mechanisms of remote sensing images. Furthermore, many RS image restoration approaches that use deep learning are often criticized for their lacks of architecture transparency and model interpretability. To address these problems, we propose a novel progressive restoration network for high-order degradation imaging (HDI-PRNet), to progressively restore different image degradation. HDI-PRNet is developed based on the theoretical framework of degradation imaging, offering the benefit of mathematical interpretability within the unfolding network. The framework is composed of three main components: a module for image denoising that relies on proximal mapping prior learning, a module for image deblurring that integrates Neumann series expansion with dual-domain degradation learning, and a module for super-resolution. Extensive experiments demonstrate that our method achieves superior performance on both synthetic and real remote sensing images.
Authors: Yingchu Wang, Ji He, Shijie Yu
Abstract: Structural health monitoring (SHM) is essential for the early detection of infrastructure defects, such as cracks in concrete bridge pier. but often faces challenges in efficiency and accuracy in complex environments. Although the Segment Anything Model (SAM) achieves excellent segmentation performance, its computational demands limit its suitability for real-time applications on edge devices. To address these challenges, this paper proposes Crack-EdgeSAM, a self-prompting crack segmentation system that integrates YOLOv8 for generating prompt boxes and a fine-tuned EdgeSAM model for crack segmentation. To ensure computational efficiency, the method employs ConvLoRA, a Parameter-Efficient Fine-Tuning (PEFT) technique, along with DiceFocalLoss to fine-tune the EdgeSAM model. Our experimental results on public datasets and the climbing robot automatic inspections demonstrate that the system achieves high segmentation accuracy and significantly enhanced inference speed compared to the most recent methods. Notably, the system processes 1024 x 1024 pixels images at 46 FPS on our PC and 8 FPS on Jetson Orin Nano.
Authors: Jingjing Xue, Sheng Sun, Min Liu, Yuwei Wang, Zhuotao Liu, Jingyuan Wang
Abstract: To effectively manage and utilize massive distributed data at the network edge, Federated Learning (FL) has emerged as a promising edge computing paradigm across data silos. However, FL still faces two challenges: system heterogeneity (i.e., the diversity of hardware resources across edge devices) and statistical heterogeneity (i.e., non-IID data). Although sparsification can extract diverse submodels for diverse clients, most sparse FL works either simply assign submodels with artificially-given rigid rules or prune partial parameters using heuristic strategies, resulting in inflexible sparsification and poor performance. In this work, we propose Learnable Personalized Sparsification for heterogeneous Federated learning (FedLPS), which achieves the learnable customization of heterogeneous sparse models with importance-associated patterns and adaptive ratios to simultaneously tackle system and statistical heterogeneity. Specifically, FedLPS learns the importance of model units on local data representation and further derives an importance-based sparse pattern with minimal heuristics to accurately extract personalized data features in non-IID settings. Furthermore, Prompt Upper Confidence Bound Variance (P-UCBV) is designed to adaptively determine sparse ratios by learning the superimposed effect of diverse device capabilities and non-IID data, aiming at resource self-adaptation with promising accuracy. Extensive experiments show that FedLPS outperforms status quo approaches in accuracy and training costs, which improves accuracy by 1.28%-59.34% while reducing running time by more than 68.80%.
Authors: Kohei Fukuda, Hiroaki Aizawa
Abstract: Out-of-distribution (OOD) detection is the task of identifying data sampled from distributions that were not used during training. This task is essential for reliable machine learning and a better understanding of their generalization capabilities. Among OOD detection methods, Outlier Exposure (OE) significantly enhances OOD detection performance and generalization ability by exposing auxiliary OOD data to the model. However, constructing clean auxiliary OOD datasets, uncontaminated by in-distribution (ID) samples, is essential for OE; generally, a noisy OOD dataset contaminated with ID samples negatively impacts OE training dynamics and final detection performance. Furthermore, as dataset scale increases, constructing clean OOD data becomes increasingly challenging and costly. To address these challenges, we propose Taylor Outlier Exposure (TaylorOE), an OE-based approach with regularization that allows training on noisy OOD datasets contaminated with ID samples. Specifically, we represent the OE regularization term as a polynomial function via a Taylor expansion, allowing us to control the regularization strength for ID data in the auxiliary OOD dataset by adjusting the order of Taylor expansion. In our experiments on the OOD detection task with clean and noisy OOD datasets, we demonstrate that the proposed method consistently outperforms conventional methods and analyze our regularization term to show its effectiveness. Our implementation code of TaylorOE is available at \url{https://github.com/fukuchan41/TaylorOE}.
Authors: Zong Ke, Jingyu Xu, Zizhou Zhang, Yu Cheng, Wenjun Wu
Abstract: This paper provides a unique approach with AI algorithms to predict emerging stock markets volatility. Traditionally, stock volatility is derived from historical volatility,Monte Carlo simulation and implied volatility as well. In this paper, the writer designs a consolidated model with back-propagation neural network and genetic algorithm to predict future volatility of emerging stock markets and found that the results are quite accurate with low errors.
Authors: Siyang Li, Ziwei Wang, Hanbin Luo, Lieyun Ding, Dongrui Wu
Abstract: Objective: An electroencephalogram (EEG)-based brain-computer interface (BCI) enables direct communication between the human brain and a computer. Due to individual differences and non-stationarity of EEG signals, such BCIs usually require a subject-specific calibration session before each use, which is time-consuming and user-unfriendly. Transfer learning (TL) has been proposed to shorten or eliminate this calibration, but existing TL approaches mainly consider offline settings, where all unlabeled EEG trials from the new user are available. Methods: This paper proposes Test-Time Information Maximization Ensemble (T-TIME) to accommodate the most challenging online TL scenario, where unlabeled EEG data from the new user arrive in a stream, and immediate classification is performed. T-TIME initializes multiple classifiers from the aligned source data. When an unlabeled test EEG trial arrives, T-TIME first predicts its labels using ensemble learning, and then updates each classifier by conditional entropy minimization and adaptive marginal distribution regularization. Our code is publicized. Results: Extensive experiments on three public motor imagery based BCI datasets demonstrated that T-TIME outperformed about 20 classical and state-of-the-art TL approaches. Significance: To our knowledge, this is the first work on test time adaptation for calibration-free EEG-based BCIs, making plug-and-play BCIs possible.
Authors: Lubin Meng, Xue Jiang, Xiaoqing Chen, Wenzhong Liu, Hanbin Luo, Dongrui Wu
Abstract: A brain-computer interface (BCI) enables direct communication between the brain and an external device. Electroencephalogram (EEG) is a common input signal for BCIs, due to its convenience and low cost. Most research on EEG-based BCIs focuses on the accurate decoding of EEG signals, while ignoring their security. Recent studies have shown that machine learning models in BCIs are vulnerable to adversarial attacks. This paper proposes adversarial filtering based evasion and backdoor attacks to EEG-based BCIs, which are very easy to implement. Experiments on three datasets from different BCI paradigms demonstrated the effectiveness of our proposed attack approaches. To our knowledge, this is the first study on adversarial filtering for EEG-based BCIs, raising a new security concern and calling for more attention on the security of BCIs.
Authors: Jiquan Wang, Sha Zhao, Zhiling Luo, Yangxuan Zhou, Haiteng Jiang, Shijian Li, Tao Li, Gang Pan
Abstract: Electroencephalography (EEG) is a non-invasive technique to measure and record brain electrical activity, widely used in various BCI and healthcare applications. Early EEG decoding methods rely on supervised learning, limited by specific tasks and datasets, hindering model performance and generalizability. With the success of large language models, there is a growing body of studies focusing on EEG foundation models. However, these studies still leave challenges: Firstly, most of existing EEG foundation models employ full EEG modeling strategy. It models the spatial and temporal dependencies between all EEG patches together, but ignores that the spatial and temporal dependencies are heterogeneous due to the unique structural characteristics of EEG signals. Secondly, existing EEG foundation models have limited generalizability on a wide range of downstream BCI tasks due to varying formats of EEG data, making it challenging to adapt to. To address these challenges, we propose a novel foundation model called CBraMod. Specifically, we devise a criss-cross transformer as the backbone to thoroughly leverage the structural characteristics of EEG signals, which can model spatial and temporal dependencies separately through two parallel attention mechanisms. And we utilize an asymmetric conditional positional encoding scheme which can encode positional information of EEG patches and be easily adapted to the EEG with diverse formats. CBraMod is pre-trained on a very large corpus of EEG through patch-based masked EEG reconstruction. We evaluate CBraMod on up to 10 downstream BCI tasks (12 public datasets). CBraMod achieves the state-of-the-art performance across the wide range of tasks, proving its strong capability and generalizability. The source code is publicly available at \url{https://github.com/wjq-learning/CBraMod}.
Authors: Fatma Yamac Sagirli, Xiaopeng Zhao, Zhenbo Wang
Abstract: The increasing rates of global urbanization and vehicle usage are leading to a shift of mobility to the third dimension-through Advanced Air Mobility (AAM)-offering a promising solution for faster, safer, cleaner, and more efficient transportation. As air transportation continues to evolve with more automated and autonomous systems, advancements in AAM require a deep understanding of human-computer interaction and human-AI collaboration to ensure safe and effective operations in complex urban and regional environments. There has been a significant increase in publications regarding these emerging applications; thus, there is a need to review developments in this area. This paper comprehensively reviews the current state of research on human-computer interaction and human-AI collaboration in AAM. Specifically, we focus on AAM applications related to the design of human-machine interfaces for various uses, including pilot training, air traffic management, and the integration of AI-assisted decision-making systems with immersive technologies such as extended, virtual, mixed, and augmented reality devices. Additionally, we provide a comprehensive analysis of the challenges AAM encounters in integrating human-computer frameworks, including unique challenges associated with these interactions, such as trust in AI systems and safety concerns. Finally, we highlight emerging opportunities and propose future research directions to bridge the gap between human factors and technological advancements in AAM.
Authors: Nikos Tsikouras, Constantine Caramanis, Christos Tzamos
Abstract: Embeddings play a pivotal role across various disciplines, offering compact representations of complex data structures. Randomized methods like Johnson-Lindenstrauss (JL) provide state-of-the-art and essentially unimprovable theoretical guarantees for achieving such representations. These guarantees are worst-case and in particular, neither the analysis, nor the algorithm, takes into account any potential structural information of the data. The natural question is: must we randomize? Could we instead use an optimization-based approach, working directly with the data? A first answer is no: as we show, the distance-preserving objective of JL has a non-convex landscape over the space of projection matrices, with many bad stationary points. But this is not the final answer. We present a novel method motivated by diffusion models, that circumvents this fundamental challenge: rather than performing optimization directly over the space of projection matrices, we use optimization over the larger space of random solution samplers, gradually reducing the variance of the sampler. We show that by moving through this larger space, our objective converges to a deterministic (zero variance) solution, avoiding bad stationary points. This method can also be seen as an optimization-based derandomization approach and is an idea and method that we believe can be applied to many other problems.
Authors: Xin Zhao, Xiaojun Chen, Yuexin Xuan, Zhendong Zhao
Abstract: In the digital age, the proliferation of deep learning models has led to significant concerns about the generation of Not Safe for Work (NSFW) content. Existing defense methods primarily involve model fine-tuning and post-hoc content moderation. However, these approaches often lack scalability in eliminating harmful content, degrade the quality of benign image generation, or incur high inference costs. To tackle these challenges, we propose an innovative framework called \textbf{Buster}, which injects backdoor attacks into the text encoder to prevent NSFW content generation. Specifically, Buster leverages deep semantic information rather than explicit prompts as triggers, redirecting NSFW prompts towards targeted benign prompts. This approach demonstrates exceptional resilience and scalability in mitigating NSFW content. Remarkably, Buster fine-tunes the text encoder of Text-to-Image models within just five minutes, showcasing high efficiency. Our extensive experiments reveal that Buster outperforms all other baselines, achieving superior NSFW content removal rate while preserving the quality of harmless images.
Authors: Zhenpeng Wu, Jian Lou, Zibin Zheng, Chuan Chen
Abstract: Large language models (LLMs) have been shown to memorize and reproduce content from their training data, raising significant privacy concerns, especially with web-scale datasets. Existing methods for detecting memorization are largely sample-specific, relying on manually crafted or discretely optimized memory-inducing prompts generated on a per-sample basis, which become impractical for dataset-level detection due to the prohibitive computational cost of iterating over all samples. In real-world scenarios, data owners may need to verify whether a susceptible LLM has memorized their dataset, particularly if the LLM may have collected the data from the web without authorization. To address this, we introduce \textit{MemHunter}, which trains a memory-inducing LLM and employs hypothesis testing to efficiently detect memorization at the dataset level, without requiring sample-specific memory inducing. Experiments on models such as Pythia and Llama-2 demonstrate that \textit{MemHunter} can extract up to 40\% more training data than existing methods under constrained time resources and reduce search time by up to 80\% when integrated as a plug-in. Crucially, \textit{MemHunter} is the first method capable of dataset-level memorization detection, providing an indispensable tool for assessing privacy risks in LLMs that are powered by vast web-sourced datasets.
Authors: Kesen Wang, Minwoo Kim, Stefano Castruccio, Marc G. Genton
Abstract: In the past decades, clean and renewable energy has gained increasing attention due to a global effort on carbon footprint reduction. In particular, Saudi Arabia is gradually shifting its energy portfolio from an exclusive use of oil to a reliance on renewable energy, and, in particular, wind. Modeling wind for assessing potential energy output in a country as large, geographically diverse and understudied as Saudi Arabia is a challenge which implies highly non-linear dynamic structures in both space and time. To address this, we propose a spatio-temporal model whose spatial information is first reduced via an energy distance-based approach and then its dynamical behavior is informed by a sparse and stochastic recurrent neural network (Echo State Network). Finally, the full spatial data is reconstructed by means of a non-stationary stochastic partial differential equation-based approach. Our model can capture the fine scale wind structure and produce more accurate forecasts of both wind speed and energy in lead times of interest for energy grid management and save annually as much as one million dollar against the closest competitive model.
Authors: Romain Stora\"i, Seung-won Hwang
Abstract: This paper aims to improve the performance of large language models by addressing the variable computational demands in inference steps, where some tokens require more computational resources than others. We present HARP, a simple modification to "off-the-shelf" Transformer forward pass. Drawing from hesitation and the framing effect in decision-making, HARP selectively applies additional computation when the model encounters uncertainty during token generation. Our method mimics human cognitive processes by pausing at difficult decision points and reframing inputs for a different perspective. Unlike other approaches, HARP is model-agnostic, training-free, and easy to implement. We thoroughly evaluate our method across various downstream tasks and model sizes, demonstrating performance improvements up to +5.16%. Notably, HARP achieves these gains while maintaining inference times twice faster than beam search. Simple and yet with significant gains, HARP offers a practical solution for enhancing the performance of Transformer-based language models with minimal computational impact.
Authors: Nikolaos Manginas, George Paliouras, Luc De Raedt
Abstract: Neurosymbolic Artificial Intelligence (NeSy) has emerged as a promising direction to integrate low level perception with high level reasoning. Unfortunately, little attention has been given to developing NeSy systems tailored to temporal/sequential problems. This entails reasoning symbolically over sequences of subsymbolic observations towards a target prediction. We show that using a probabilistic semantics symbolic automata, which combine the power of automata for temporal structure specification with that of propositional logic, can be used to reason efficiently and differentiably over subsymbolic sequences. The proposed system, which we call NeSyA (Neuro Symbolic Automata), is shown to either scale or perform better than existing NeSy approaches when applied to problems with a temporal component.
Authors: Jacob Hume, Laura Balzano
Abstract: Discovering and tracking communities in time-varying networks is an important task in network science, motivated by applications in fields ranging from neuroscience to sociology. In this work, we characterize the celebrated family of spectral methods for static clustering in terms of the low-rank approximation of high-dimensional node embeddings. From this perspective, it becomes natural to view the evolving community detection problem as one of subspace tracking on the Grassmann manifold. While the resulting optimization problem is nonconvex, we adopt a block majorize-minimize Riemannian optimization scheme to learn the Grassmann geodesic which best fits the data. Our framework generalizes any static spectral community detection approach and leads to algorithms achieving favorable performance on synthetic and real temporal networks, including those that are weighted, signed, directed, mixed-membership, multiview, hierarchical, cocommunity-structured, bipartite, or some combination thereof. We demonstrate how to specifically cast a wide variety of methods into our framework, and demonstrate greatly improved dynamic community detection results in all cases.
Authors: Seongmin Park, Mincheol Yoon, Minjin Choi, Jongwuk Lee
Abstract: In sequential recommendation (SR), neural models have been actively explored due to their remarkable performance, but they suffer from inefficiency inherent to their complexity. On the other hand, linear SR models exhibit high efficiency and achieve competitive or superior accuracy compared to neural models. However, they solely deal with the sequential order of items (i.e., sequential information) and overlook the actual timestamp (i.e., temporal information). It is limited to effectively capturing various user preference drifts over time. To address this issue, we propose a novel linear SR model, named TemporAl LinEar item-item model (TALE), incorporating temporal information while preserving training/inference efficiency, with three key components. (i) Single-target augmentation concentrates on a single target item, enabling us to learn the temporal correlation for the target item. (ii) Time interval-aware weighting utilizes the actual timestamp to discern the item correlation depending on time intervals. (iii) Trend-aware normalization reflects the dynamic shift of item popularity over time. Our empirical studies show that TALE outperforms ten competing SR models by up to 18.71% gains on five benchmark datasets. It also exhibits remarkable effectiveness in evaluating long-tail items by up to 30.45% gains. The source code is available at https://github.com/psm1206/TALE.
Authors: Florin Condrea, Saikiran Rapaka, Marius Leordeanu
Abstract: Pulmonary Embolisms (PE) are a leading cause of cardiovascular death. Computed tomographic pulmonary angiography (CTPA) stands as the gold standard for diagnosing pulmonary embolisms (PE) and there has been a lot of interest in developing AI-based models for assisting in PE diagnosis. Performance of these algorithms has been hindered by the scarcity of annotated data, especially those with fine-grained delineation of the thromboembolic burden. In this paper we attempt to address this issue by introducing a weakly supervised learning pipeline, that leverages model explainability to generate fine-grained (pixel level) masks for embolisms starting from more coarse-grained (binary, image level) PE annotations. Furthermore, we show that training models using the automatically generated pixel annotations yields good PE localization performance. We demonstrate the effectiveness of our pipeline on the large-scale, multi-center RSPECT augmented dataset for PE detection and localization.
Authors: Ahmed Luqman, Khuzemah Qazi, Imdadullah Khan
Abstract: Despite the success of CNN models on a variety of Image classification and segmentation tasks, their extensive computational and storage demands pose considerable challenges for real-world deployment on resource constrained devices. Quantization is one technique that aims to alleviate these large storage requirements and speed up the inference process by reducing the precision of model parameters to lower-bit representations. In this paper, we introduce a novel post-training quantization method for model weights. Our method finds optimal clipping thresholds and scaling factors along with mathematical guarantees that our method minimizes quantization noise. Empirical results on Real World Datasets demonstrate that our quantization scheme significantly reduces model size and computational requirements while preserving model accuracy.
Authors: Gayathri Dandugula, Santhosh Boddana, Sudesh Mirashi
Abstract: Deploying radar object detection models on resource-constrained edge devices like the Raspberry Pi poses significant challenges due to the large size of the model and the limited computational power and the memory of the Pi. In this work, we explore the efficiency of Depthwise Separable Convolutions in radar object detection networks and integrate them into our model. Additionally, we introduce a novel Feature Enhancement and Compression (FEC) module to the PointPillars feature encoder to further improve the model performance. With these innovations, we propose the DSFEC-L model and its two versions, which outperform the baseline (23.9 mAP of Car class, 20.72 GFLOPs) on nuScenes dataset: 1). An efficient DSFEC-M model with a 14.6% performance improvement and a 60% reduction in GFLOPs. 2). A deployable DSFEC-S model with a 3.76% performance improvement and a remarkable 78.5% reduction in GFLOPs. Despite marginal performance gains, our deployable model achieves an impressive 74.5% reduction in runtime on the Raspberry Pi compared to the baseline.
Authors: Xuhui Zhang, Wenchao Liu, Jinke Ren, Huijun Xing, Gui Gui, Yanyan Shen, Shuguang Cui
Abstract: Federated learning (FL) has emerged as a pivotal solution for training machine learning models over wireless networks, particularly for Internet of Things (IoT) devices with limited computation resources. Despite its benefits, the efficiency of FL is often restricted by the communication quality between IoT devices and the central server. To address this issue, we introduce an innovative approach by deploying an unmanned aerial vehicle (UAV) as a mobile FL server to enhance the training process of FL. By leveraging the UAV's maneuverability, we establish robust line-of-sight connections with IoT devices, significantly improving communication capacity. To improve the overall training efficiency, we formulate a latency minimization problem by jointly optimizing the bandwidth allocation, computing frequencies, transmit power for both the UAV and IoT devices, and the UAV's trajectory. Then, an efficient alternating optimization algorithm is developed to solve it efficiently. Furthermore, we analyze the convergence and computational complexity of the proposed algorithm. Finally, numerical results demonstrate that our proposed scheme not only outperforms existing benchmark schemes in terms of latency but also achieves training efficiency that closely approximate the ideal scenario.
Authors: Huanjian Zhou, Masashi Sugiyama
Abstract: In recent years, there has been a surge of interest in proving discretization bounds for sampling under isoperimetry and for diffusion models. As data size grows, reducing the iteration cost becomes an important goal. Inspired by the great success of the parallel simulation of the initial value problem in scientific computation, we propose parallel Picard methods for sampling tasks. Rigorous theoretical analysis reveals that our algorithm achieves better dependence on dimension $d$ than prior works in iteration complexity (i.e., reduced from $\widetilde{O}(\log^2 d)$ to $\widetilde{O}(\log d)$), which is even optimal for sampling under isoperimetry with specific iteration complexity. Our work highlights the potential advantages of simulation methods in scientific computation for dynamics-based sampling and diffusion models.
Authors: Raanan Y. Rohekar, Yaniv Gurwicz, Sungduk Yu, Vasudev Lal
Abstract: Are generative pre-trained transformer (GPT) models only trained to predict the next token, or do they implicitly learn a world model from which a sequence is generated one token at a time? We examine this question by deriving a causal interpretation of the attention mechanism in GPT, and suggesting a causal world model that arises from this interpretation. Furthermore, we propose that GPT-models, at inference time, can be utilized for zero-shot causal structure learning for in-distribution sequences. Empirical evaluation is conducted in a controlled synthetic environment using the setup and rules of the Othello board game. A GPT, pre-trained on real-world games played with the intention of winning, is tested on synthetic data that only adheres to the game rules. We find that the GPT model tends to generate next moves that adhere to the game rules for sequences for which the attention mechanism encodes a causal structure with high confidence. In general, in cases for which the GPT model generates moves that do not adhere to the game rules, it also fails to capture any causal structure.
Authors: Hao Chen, Kai Yi, Lin Liu, Yu Guang Wang
Abstract: Causal discovery is a crucial initial step in establishing causality from empirical data and background knowledge. Numerous algorithms have been developed for this purpose. Among them, the score-matching method has demonstrated superior performance across various evaluation metrics, particularly for the commonly encountered Additive Nonlinear Causal Models. However, current score-matching-based algorithms are primarily designed to analyze independent and identically distributed (i.i.d.) data. More importantly, they suffer from high computational complexity due to the pruning step required for handling dense Directed Acyclic Graphs (DAGs). To enhance the scalability of score matching, we have developed a new parent-finding subroutine for leaf nodes in DAGs, significantly accelerating the most time-consuming part of the process: the pruning step. This improvement results in an efficiency-lifted score matching algorithm, termed Parent Identification-based Causal structure learning for both i.i.d. and temporal data on networKs, or PICK. The new score-matching algorithm extends the scope of existing algorithms and can handle static and temporal data on networks with weak network interference. Our proposed algorithm can efficiently cope with increasingly complex datasets that exhibit spatial and temporal dependencies, commonly encountered in academia and industry. The proposed algorithm can accelerate score-matching-based methods while maintaining high accuracy in real-world applications.
Authors: Yuki Kadokawa, Hirotaka Tahara, Takamitsu Matsubara
Abstract: In earthwork and construction, excavators often encounter large rocks mixed with various soil conditions, requiring skilled operators. This paper presents a framework for achieving autonomous excavation using reinforcement learning (RL) through a rock excavation simulator. In the simulation, resolution can be defined by the particle size/number in the whole soil space. Fine-resolution simulations closely mimic real-world behavior but demand significant calculation time and challenging sample collection, while coarse-resolution simulations enable faster sample collection but deviate from real-world behavior. To combine the advantages of both resolutions, we explore using policies developed in coarse-resolution simulations for pre-training in fine-resolution simulations. To this end, we propose a novel policy learning framework called Progressive-Resolution Policy Distillation (PRPD), which progressively transfers policies through some middle-resolution simulations with conservative policy transfer to avoid domain gaps that could lead to policy transfer failure. Validation in a rock excavation simulator and nine real-world rock environments demonstrated that PRPD reduced sampling time to less than 1/7 while maintaining task success rates comparable to those achieved through policy learning in a fine-resolution simulation.
Authors: \'Alvaro I. Riquelme
Abstract: In various geosciences branches, including mineral exploration, geometallurgical characterization on established mining operations, and remote sensing, the regionalized input variables are spatially well-sampled across the domain of interest, limiting the scope of spatial uncertainty quantification procedures. In turn, response outcomes such as the mineral potential in a given region, mining throughput, metallurgical recovery, or in-situ estimations from remote satellite imagery, are usually modeled from a much-restricted subset of testing samples, collected at certain locations due to accessibility restrictions and the high acquisition costs. Our limited understanding of these functions, in terms of the multi-dimensional complexity of causalities and unnoticed dependencies on inaccessible inputs, may lead to observing changes in such functions based on their geographical location. Pooling together different response functions across the domain is critical to correctly predict outcome responses, the uncertainty associated with these inferred values, and the significance of inputs in such predictions at unexplored areas. This paper introduces the notion of a dual random field (dRF), where the response function itself is considered a regionalized variable. In this way, different established response models across the geographic domain can be considered as observations of a dRF realization, enabling the spatial inference and uncertainty assessment of both response models and their predictions. We explain how dRFs inherit all the properties from classical random fields, allowing the use of standard Gaussian simulation procedures to simulate them. These models are combined to obtain a mineral potential response, providing an example of how to rigorously integrate machine learning approaches with geostatistics.
Authors: Branislava Lalic, Dinh Viet Cuong, Mina Petric, Vladimir Pavlovic, Ana Firanj Sremac, Mark Roantree
Abstract: Physics-based dynamic models (PBDMs) are simplified representations of complex dynamical systems. PBDMs take specific processes within a complex system and assign a fragment of variables and an accompanying set of parameters to depict the processes. As this often leads to suboptimal parameterisation of the system, a key challenge requires refining the empirical parameters and variables to reduce uncertainties while maintaining the model s explainability and enhancing its predictive accuracy. We demonstrate that a hybrid mosquito population dynamics model, which integrates a PBDM with Physics-Informed Neural Networks (PINN), retains the explainability of the PBDM by incorporating the PINN-learned model parameters in place of its empirical counterparts. Specifically, we address the limitations of traditional PBDMs by modelling the parameters of larva and pupa development rates using a PINN that encodes complex, learned interactions of air temperature, precipitation and humidity. Our results demonstrate improved mosquito population simulations including the difficult-to-predict mosquito population peaks. This opens the possibility of hybridisation concept application on other complex systems based on PBDMs such as cancer growth to address the challenges posed by scarce and noisy data, and to numerical weather prediction and climate modelling to overcome the gap between physics-based and data-driven weather prediction models.
Authors: D. Cotroneo, F. C. Grasso, R. Natella, V. Orbinato
Abstract: Vulnerability prediction is valuable in identifying security issues more efficiently, even though it requires the source code of the target software system, which is a restrictive hypothesis. This paper presents an experimental study to predict vulnerabilities in binary code without source code or complex representations of the binary, leveraging the pivotal idea of decompiling the binary file through neural decompilation and predicting vulnerabilities through deep learning on the decompiled source code. The results outperform the state-of-the-art in both neural decompilation and vulnerability prediction, showing that it is possible to identify vulnerable programs with this approach concerning bi-class (vulnerable/non-vulnerable) and multi-class (type of vulnerability) analysis.
Authors: Zheng Cao, Helyette Geman
Abstract: This manuscript introduces the hype-adjusted probability measure developed in the context of a new Natural Language Processing (NLP) approach for market forecasting. A novel sentiment score equation is presented to capture component and memory effects and assign dynamic parameters, enhancing the impact of intraday news data on forecasting next-period volatility for selected U.S. semiconductor stocks. This approach integrates machine learning techniques to analyze and improve the predictive value of news. Building on the research of Geman's, this work improves forecast accuracy by assigning specific weights to each component of news sources and individual stocks in the portfolio, evaluating time-memory effects on market reactions, and incorporating shifts in sentiment direction. Finally, we propose the Hype-Adjusted Probability Measure, proving its existence and uniqueness, and discuss its theoretical applications in finance for NLP-based volatility forecasting, outlining future research pathways inspired by its concepts.
Authors: Zongkai Liu, Qian Lin, Chao Yu, Xiawei Wu, Yile Liang, Donghui Li, Xuetao Ding
Abstract: Offline Multi-Agent Reinforcement Learning (MARL) is an emerging field that aims to learn optimal multi-agent policies from pre-collected datasets. Compared to single-agent case, multi-agent setting involves a large joint state-action space and coupled behaviors of multiple agents, which bring extra complexity to offline policy optimization. In this work, we revisit the existing offline MARL methods and show that in certain scenarios they can be problematic, leading to uncoordinated behaviors and out-of-distribution (OOD) joint actions. To address these issues, we propose a new offline MARL algorithm, named In-Sample Sequential Policy Optimization (InSPO). InSPO sequentially updates each agent's policy in an in-sample manner, which not only avoids selecting OOD joint actions but also carefully considers teammates' updated policies to enhance coordination. Additionally, by thoroughly exploring low-probability actions in the behavior policy, InSPO can well address the issue of premature convergence to sub-optimal solutions. Theoretically, we prove InSPO guarantees monotonic policy improvement and converges to quantal response equilibrium (QRE). Experimental results demonstrate the effectiveness of our method compared to current state-of-the-art offline MARL methods.
Authors: Ashik E Rasul, Humaira Tasnim, Hyung-Jin Yoon, Ayoosh Bansal, Duo Wang, Naira Hovakimyan, Lui Sha, Petros Voulgaris
Abstract: Learning-based solutions have enabled incredible capabilities for autonomous systems. Autonomous vehicles, both aerial and ground, rely on DNN for various integral tasks, including perception. The efficacy of supervised learning solutions hinges on the quality of the training data. Discrepancies between training data and operating conditions result in faults that can lead to catastrophic incidents. However, collecting vast amounts of context-sensitive data, with broad coverage of possible operating environments, is prohibitively difficult. Synthetic data generation techniques for DNN allow for the easy exploration of diverse scenarios. However, synthetic data generation solutions for aerial vehicles are still lacking. This work presents a data augmentation framework for aerial vehicle's perception training, leveraging photorealistic simulation integrated with high-fidelity vehicle dynamics. Safe landing is a crucial challenge in the development of autonomous air taxis, therefore, landing maneuver is chosen as the focus of this work. With repeated simulations of landing in varying scenarios we assess the landing performance of the VTOL type UAV and gather valuable data. The landing performance is used as the objective function to optimize the DNN through retraining. Given the high computational cost of DNN retraining, we incorporated Bayesian Optimization in our framework that systematically explores the data augmentation parameter space to retrain the best-performing models. The framework allowed us to identify high-performing data augmentation parameters that are consistently effective across different landing scenarios. Utilizing the capabilities of this data augmentation framework, we obtained a robust perception model. The model consistently improved the perception-based landing success rate by at least 20% under different lighting and weather conditions.
Authors: Anubhav Jain, Yuya Kobayashi, Takashi Shibuya, Yuhta Takida, Nasir Memon, Julian Togelius, Yuki Mitsufuji
Abstract: Recent advancements in text-to-image diffusion models have brought them to the public spotlight, becoming widely accessible and embraced by everyday users. However, these models have been shown to generate harmful content such as not-safe-for-work (NSFW) images. While approaches have been proposed to erase such abstract concepts from the models, jail-breaking techniques have succeeded in bypassing such safety measures. In this paper, we propose TraSCE, an approach to guide the diffusion trajectory away from generating harmful content. Our approach is based on negative prompting, but as we show in this paper, conventional negative prompting is not a complete solution and can easily be bypassed in some corner cases. To address this issue, we first propose a modification of conventional negative prompting. Furthermore, we introduce a localized loss-based guidance that enhances the modified negative prompting technique by steering the diffusion trajectory. We demonstrate that our proposed method achieves state-of-the-art results on various benchmarks in removing harmful content including ones proposed by red teams; and erasing artistic styles and objects. Our proposed approach does not require any training, weight modifications, or training data (both image or prompt), making it easier for model owners to erase new concepts.
Authors: Shuo Yang, Bardh Prenkaj, Gjergji Kasneci
Abstract: Despite the widespread use of LLMs due to their superior performance in various tasks, their high computational costs often lead potential users to opt for the pretraining-finetuning pipeline. However, biases prevalent in manually constructed datasets can introduce spurious correlations between tokens and labels, creating so-called shortcuts and hindering the generalizability of fine-tuned models. Existing debiasing methods often rely on prior knowledge of specific dataset biases, which is challenging to acquire a priori. We propose RAZOR (Rewriting And Zero-bias Optimization Refinement), a novel, unsupervised, and data-focused debiasing approach based on text rewriting for shortcut mitigation. RAZOR leverages LLMs to iteratively rewrite potentially biased text segments by replacing them with heuristically selected alternatives in a shortcut space defined by token statistics and positional information. This process aims to align surface-level text features more closely with diverse label distributions, thereby promoting the learning of genuine linguistic patterns. Compared with unsupervised SoTA models, RAZOR improves by 3.5% on the FEVER and 6.5% on MNLI and SNLI datasets according to the F1 score. Additionally, RAZOR effectively mitigates specific known biases, reducing bias-related terms by x2 without requiring prior bias information, a result that is on par with SoTA models that leverage prior information. Our work prioritizes data manipulation over architectural modifications, emphasizing the pivotal role of data quality in enhancing model performance and fairness. This research contributes to developing more robust evaluation benchmarks for debiasing methods by incorporating metrics for bias reduction and overall model efficacy.
Authors: Jonas N\"u{\ss}lein, Maximilian Zorn, Fabian Ritz, Jonas Stein, Gerhard Stenzel, Julian Sch\"onberger, Thomas Gabor, Claudia Linnhoff-Popien
Abstract: Reinforcement Learning (RL) policies are designed to predict actions based on current observations to maximize cumulative future rewards. In real-world applications (i.e., non-simulated environments), sensors are essential for measuring the current state and providing the observations on which RL policies rely to make decisions. A significant challenge in deploying RL policies in real-world scenarios is handling sensor dropouts, which can result from hardware malfunctions, physical damage, or environmental factors like dust on a camera lens. A common strategy to mitigate this issue is the use of backup sensors, though this comes with added costs. This paper explores the optimization of backup sensor configurations to maximize expected returns while keeping costs below a specified threshold, C. Our approach uses a second-order approximation of expected returns and includes penalties for exceeding cost constraints. We then optimize this quadratic program using Tabu Search, a meta-heuristic algorithm. The approach is evaluated across eight OpenAI Gym environments and a custom Unity-based robotic environment (RobotArmGrasping). Empirical results demonstrate that our quadratic program effectively approximates real expected returns, facilitating the identification of optimal sensor configurations.
Authors: Alex Trevithick, Roni Paiss, Philipp Henzler, Dor Verbin, Rundi Wu, Hadi Alzayer, Ruiqi Gao, Ben Poole, Jonathan T. Barron, Aleksander Holynski, Ravi Ramamoorthi, Pratul P. Srinivasan
Abstract: Novel-view synthesis techniques achieve impressive results for static scenes but struggle when faced with the inconsistencies inherent to casual capture settings: varying illumination, scene motion, and other unintended effects that are difficult to model explicitly. We present an approach for leveraging generative video models to simulate the inconsistencies in the world that can occur during capture. We use this process, along with existing multi-view datasets, to create synthetic data for training a multi-view harmonization network that is able to reconcile inconsistent observations into a consistent 3D scene. We demonstrate that our world-simulation strategy significantly outperforms traditional augmentation methods in handling real-world scene variations, thereby enabling highly accurate static 3D reconstructions in the presence of a variety of challenging inconsistencies. Project page: https://alextrevithick.github.io/simvs
Authors: Md Nadim, Mohammad Hassan, Ashis Kumar Mandal, Chanchal K. Roy
Abstract: Software defect prediction is a critical aspect of software quality assurance, as it enables early identification and mitigation of defects, thereby reducing the cost and impact of software failures. Over the past few years, quantum computing has risen as an exciting technology capable of transforming multiple domains; Quantum Machine Learning (QML) is one of them. QML algorithms harness the power of quantum computing to solve complex problems with better efficiency and effectiveness than their classical counterparts. However, research into its application in software engineering to predict software defects still needs to be explored. In this study, we worked to fill the research gap by comparing the performance of three QML and five classical machine learning (CML) algorithms on the 20 software defect datasets. Our investigation reports the comparative scenarios of QML vs. CML algorithms and identifies the better-performing and consistent algorithms to predict software defects. We also highlight the challenges and future directions of employing QML algorithms in real software defect datasets based on the experience we faced while performing this investigation. The findings of this study can help practitioners and researchers further progress in this research domain by making software systems reliable and bug-free.
Authors: Zongyu Lin, Wei Liu, Chen Chen, Jiasen Lu, Wenze Hu, Tsu-Jui Fu, Jesse Allardice, Zhengfeng Lai, Liangchen Song, Bowen Zhang, Cha Chen, Yiran Fei, Yifan Jiang, Lezhi Li, Yizhou Sun, Kai-Wei Chang, Yinfei Yang
Abstract: The field of video generation has made remarkable advancements, yet there remains a pressing need for a clear, systematic recipe that can guide the development of robust and scalable models. In this work, we present a comprehensive study that systematically explores the interplay of model architectures, training recipes, and data curation strategies, culminating in a simple and scalable text-image-conditioned video generation method, named STIV. Our framework integrates image condition into a Diffusion Transformer (DiT) through frame replacement, while incorporating text conditioning via a joint image-text conditional classifier-free guidance. This design enables STIV to perform both text-to-video (T2V) and text-image-to-video (TI2V) tasks simultaneously. Additionally, STIV can be easily extended to various applications, such as video prediction, frame interpolation, multi-view generation, and long video generation, etc. With comprehensive ablation studies on T2I, T2V, and TI2V, STIV demonstrate strong performance, despite its simple design. An 8.7B model with 512 resolution achieves 83.1 on VBench T2V, surpassing both leading open and closed-source models like CogVideoX-5B, Pika, Kling, and Gen-3. The same-sized model also achieves a state-of-the-art result of 90.1 on VBench I2V task at 512 resolution. By providing a transparent and extensible recipe for building cutting-edge video generation models, we aim to empower future research and accelerate progress toward more versatile and reliable video generation solutions.
Authors: Juan Miguel Lopez Alcaraz, Wilhelm Haverkamp, Nils Strodthoff
Abstract: Background: Neoplasms remains a leading cause of mortality worldwide, with timely diagnosis being crucial for improving patient outcomes. Current diagnostic methods are often invasive, costly, and inaccessible to many populations. Electrocardiogram (ECG) data, widely available and non-invasive, has the potential to serve as a tool for neoplasms diagnosis by using physiological changes in cardiovascular function associated with neoplastic prescences. Methods: This study explores the application of machine learning models to analyze ECG features for the diagnosis of neoplasms. We developed a pipeline integrating tree-based models with Shapley values for explainability. The model was trained and internally validated and externally validated on a second large-scale independent external cohort to ensure robustness and generalizability. Findings: The results demonstrate that ECG data can effectively capture neoplasms-associated cardiovascular changes, achieving high performance in both internal testing and external validation cohorts. Shapley values identified key ECG features influencing model predictions, revealing established and novel cardiovascular markers linked to neoplastic conditions. This non-invasive approach provides a cost-effective and scalable alternative for the diagnosis of neoplasms, particularly in resource-limited settings. Similarly, useful for the management of secondary cardiovascular effects given neoplasms therapies. Interpretation: This study highlights the feasibility of leveraging ECG signals and machine learning to enhance neoplasms diagnostics. By offering interpretable insights into cardio-neoplasms interactions, this approach bridges existing gaps in non-invasive diagnostics and has implications for integrating ECG-based tools into broader neoplasms diagnostic frameworks, as well as neoplasms therapy management.
Authors: Ziqi Lu, Heng Yang, Danfei Xu, Boyi Li, Boris Ivanovic, Marco Pavone, Yue Wang
Abstract: Emerging 3D geometric foundation models, such as DUSt3R, offer a promising approach for in-the-wild 3D vision tasks. However, due to the high-dimensional nature of the problem space and scarcity of high-quality 3D data, these pre-trained models still struggle to generalize to many challenging circumstances, such as limited view overlap or low lighting. To address this, we propose LoRA3D, an efficient self-calibration pipeline to $\textit{specialize}$ the pre-trained models to target scenes using their own multi-view predictions. Taking sparse RGB images as input, we leverage robust optimization techniques to refine multi-view predictions and align them into a global coordinate frame. In particular, we incorporate prediction confidence into the geometric optimization process, automatically re-weighting the confidence to better reflect point estimation accuracy. We use the calibrated confidence to generate high-quality pseudo labels for the calibrating views and use low-rank adaptation (LoRA) to fine-tune the models on the pseudo-labeled data. Our method does not require any external priors or manual labels. It completes the self-calibration process on a $\textbf{single standard GPU within just 5 minutes}$. Each low-rank adapter requires only $\textbf{18MB}$ of storage. We evaluated our method on $\textbf{more than 160 scenes}$ from the Replica, TUM and Waymo Open datasets, achieving up to $\textbf{88% performance improvement}$ on 3D reconstruction, multi-view pose estimation and novel-view rendering.
Authors: Fatemeh Nazarieh, Zhenhua Feng, Diptesh Kanojia, Muhammad Awais, Josef Kittler
Abstract: Audio-driven talking face generation is a challenging task in digital communication. Despite significant progress in the area, most existing methods concentrate on audio-lip synchronization, often overlooking aspects such as visual quality, customization, and generalization that are crucial to producing realistic talking faces. To address these limitations, we introduce a novel, customizable one-shot audio-driven talking face generation framework, named PortraitTalk. Our proposed method utilizes a latent diffusion framework consisting of two main components: IdentityNet and AnimateNet. IdentityNet is designed to preserve identity features consistently across the generated video frames, while AnimateNet aims to enhance temporal coherence and motion consistency. This framework also integrates an audio input with the reference images, thereby reducing the reliance on reference-style videos prevalent in existing approaches. A key innovation of PortraitTalk is the incorporation of text prompts through decoupled cross-attention mechanisms, which significantly expands creative control over the generated videos. Through extensive experiments, including a newly developed evaluation metric, our model demonstrates superior performance over the state-of-the-art methods, setting a new standard for the generation of customizable realistic talking faces suitable for real-world applications.
Authors: Alan Nawzad Amin, Nate Gruver, Yilun Kuang, Lily Li, Hunter Elliott, Calvin McCarter, Aniruddh Raghu, Peyton Greenside, Andrew Gordon Wilson
Abstract: To build effective therapeutics, biologists iteratively mutate antibody sequences to improve binding and stability. Proposed mutations can be informed by previous measurements or by learning from large antibody databases to predict only typical antibodies. Unfortunately, the space of typical antibodies is enormous to search, and experiments often fail to find suitable antibodies on a budget. We introduce Clone-informed Bayesian Optimization (CloneBO), a Bayesian optimization procedure that efficiently optimizes antibodies in the lab by teaching a generative model how our immune system optimizes antibodies. Our immune system makes antibodies by iteratively evolving specific portions of their sequences to bind their target strongly and stably, resulting in a set of related, evolving sequences known as a clonal family. We train a large language model, CloneLM, on hundreds of thousands of clonal families and use it to design sequences with mutations that are most likely to optimize an antibody within the human immune system. We propose to guide our designs to fit previous measurements with a twisted sequential Monte Carlo procedure. We show that CloneBO optimizes antibodies substantially more efficiently than previous methods in realistic in silico experiments and designs stronger and more stable binders in in vitro wet lab experiments.
Authors: Matthew Wallingford, Anand Bhattad, Aditya Kusupati, Vivek Ramanujan, Matt Deitke, Sham Kakade, Aniruddha Kembhavi, Roozbeh Mottaghi, Wei-Chiu Ma, Ali Farhadi
Abstract: Three-dimensional (3D) understanding of objects and scenes play a key role in humans' ability to interact with the world and has been an active area of research in computer vision, graphics, and robotics. Large scale synthetic and object-centric 3D datasets have shown to be effective in training models that have 3D understanding of objects. However, applying a similar approach to real-world objects and scenes is difficult due to a lack of large-scale data. Videos are a potential source for real-world 3D data, but finding diverse yet corresponding views of the same content has shown to be difficult at scale. Furthermore, standard videos come with fixed viewpoints, determined at the time of capture. This restricts the ability to access scenes from a variety of more diverse and potentially useful perspectives. We argue that large scale 360 videos can address these limitations to provide: scalable corresponding frames from diverse views. In this paper, we introduce 360-1M, a 360 video dataset, and a process for efficiently finding corresponding frames from diverse viewpoints at scale. We train our diffusion-based model, Odin, on 360-1M. Empowered by the largest real-world, multi-view dataset to date, Odin is able to freely generate novel views of real-world scenes. Unlike previous methods, Odin can move the camera through the environment, enabling the model to infer the geometry and layout of the scene. Additionally, we show improved performance on standard novel view synthesis and 3D reconstruction benchmarks.
Authors: Chenhao Lu, Xuxin Cheng, Jialong Li, Shiqi Yang, Mazeyu Ji, Chengjing Yuan, Ge Yang, Sha Yi, Xiaolong Wang
Abstract: Humanoid robots require both robust lower-body locomotion and precise upper-body manipulation. While recent Reinforcement Learning (RL) approaches provide whole-body loco-manipulation policies, they lack precise manipulation with high DoF arms. In this paper, we propose decoupling upper-body control from locomotion, using inverse kinematics (IK) and motion retargeting for precise manipulation, while RL focuses on robust lower-body locomotion. We introduce PMP (Predictive Motion Priors), trained with Conditional Variational Autoencoder (CVAE) to effectively represent upper-body motions. The locomotion policy is trained conditioned on this upper-body motion representation, ensuring that the system remains robust with both manipulation and locomotion. We show that CVAE features are crucial for stability and robustness, and significantly outperforms RL-based whole-body control in precise manipulation. With precise upper-body motion and robust lower-body locomotion control, operators can remotely control the humanoid to walk around and explore different environments, while performing diverse manipulation tasks.
Authors: Alexander Pondaven, Aliaksandr Siarohin, Sergey Tulyakov, Philip Torr, Fabio Pizzati
Abstract: We propose DiTFlow, a method for transferring the motion of a reference video to a newly synthesized one, designed specifically for Diffusion Transformers (DiT). We first process the reference video with a pre-trained DiT to analyze cross-frame attention maps and extract a patch-wise motion signal called the Attention Motion Flow (AMF). We guide the latent denoising process in an optimization-based, training-free, manner by optimizing latents with our AMF loss to generate videos reproducing the motion of the reference one. We also apply our optimization strategy to transformer positional embeddings, granting us a boost in zero-shot motion transfer capabilities. We evaluate DiTFlow against recently published methods, outperforming all across multiple metrics and human evaluation.
Authors: Daniel Bakkelund
Abstract: We present a theory and an objective function for similarity-based hierarchical clustering of probabilistic partial orders and directed acyclic graphs (DAGs). Specifically, given elements $x \le y$ in the partial order, and their respective clusters $[x]$ and $[y]$, the theory yields an order relation $\le'$ on the clusters such that $[x]\le'[y]$. The theory provides a concise definition of order-preserving hierarchical clustering, and offers a classification theorem identifying the order-preserving trees (dendrograms). To determine the optimal order-preserving trees, we develop an objective function that frames the problem as a bi-objective optimisation, aiming to satisfy both the order relation and the similarity measure. We prove that the optimal trees under the objective are both order-preserving and exhibit high-quality hierarchical clustering. Since finding an optimal solution is NP-hard, we introduce a polynomial-time approximation algorithm and demonstrate that the method outperforms existing methods for order-preserving hierarchical clustering by a significant margin.
Authors: Carlo Alberto Barbano, Enzo Tartaglione, Marco Grangetto
Abstract: Deep neural networks often struggle to learn robust representations in the presence of dataset biases, leading to suboptimal generalization on unbiased datasets. This limitation arises because the models heavily depend on peripheral and confounding factors, inadvertently acquired during training. Existing approaches to address this problem typically involve explicit supervision of bias attributes or reliance on prior knowledge about the biases. In this study, we address the challenging scenario where no explicit annotations of bias are available, and there's no prior knowledge about its nature. We present a fully unsupervised debiasing framework with three key steps: firstly, leveraging the inherent tendency to learn malignant biases to acquire a bias-capturing model; next, employing a pseudo-labeling process to obtain bias labels; and finally, applying cutting-edge supervised debiasing techniques to achieve an unbiased model. Additionally, we introduce a theoretical framework for evaluating model biasedness and conduct a detailed analysis of how biases impact neural network training. Experimental results on both synthetic and real-world datasets demonstrate the effectiveness of our method, showcasing state-of-the-art performance in various settings, occasionally surpassing fully supervised debiasing approaches.
Authors: Charles Guille-Escuret, Pau Rodriguez, David Vazquez, Ioannis Mitliagkas, Joao Monteiro
Abstract: Handling out-of-distribution (OOD) samples has become a major stake in the real-world deployment of machine learning systems. This work explores the use of self-supervised contrastive learning to the simultaneous detection of two types of OOD samples: unseen classes and adversarial perturbations. First, we pair self-supervised contrastive learning with the maximum mean discrepancy (MMD) two-sample test. This approach enables us to robustly test whether two independent sets of samples originate from the same distribution, and we demonstrate its effectiveness by discriminating between CIFAR-10 and CIFAR-10.1 with higher confidence than previous work. Motivated by this success, we introduce CADet (Contrastive Anomaly Detection), a novel method for OOD detection of single samples. CADet draws inspiration from MMD, but leverages the similarity between contrastive transformations of a same sample. CADet outperforms existing adversarial detection methods in identifying adversarially perturbed samples on ImageNet and achieves comparable performance to unseen label detection methods on two challenging benchmarks: ImageNet-O and iNaturalist. Significantly, CADet is fully self-supervised and requires neither labels for in-distribution samples nor access to OOD examples.
Authors: Asuman Ozdaglar, Sarath Pattathil, Jiawei Zhang, Kaiqing Zhang
Abstract: Offline reinforcement learning (RL) aims to find an optimal policy for Markov decision processes (MDPs) using a pre-collected dataset. In this work, we revisit the linear programming (LP) reformulation of Markov decision processes for offline RL, with the goal of developing algorithms with optimal $O(1/\sqrt{n})$ sample complexity, where $n$ is the sample size, under partial data coverage and general function approximation, and with favorable computational tractability. To this end, we derive new \emph{error bounds} for both the dual and primal-dual formulations of the LP, and incorporate them properly as \emph{constraints} in the LP reformulation. We then show that under a completeness-type assumption, $O(1/\sqrt{n})$ sample complexity can be achieved under standard single-policy coverage assumption, when one properly \emph{relaxes} the occupancy validity constraint in the LP. This framework can readily handle both infinite-horizon discounted and average-reward MDPs, in both general function approximation and tabular cases. The instantiation to the tabular case achieves either state-of-the-art or the first sample complexities of offline RL in these settings. To further remove any completeness-type assumption, we then introduce a proper \emph{lower-bound constraint} in the LP, and a variant of the standard single-policy coverage assumption. Such an algorithm leads to a $O(1/\sqrt{n})$ sample complexity with dependence on the \emph{value-function gap}, with only realizability assumptions. Our properly constrained LP framework advances the existing results in several aspects, in relaxing certain assumptions and achieving the optimal $O(1/\sqrt{n})$ sample complexity, with simple analyses. We hope our results bring new insights into the use of LP formulations and the equivalent primal-dual minimax optimization for offline RL, through the error-bound induced constraints.
Authors: Yubin Lu, Zhongjian Wang, Guillaume Bal
Abstract: This paper concerns the mathematical analyses of the diffusion model in machine learning. The drift term of the backward sampling process is represented as a conditional expectation involving the data distribution and the forward diffusion. The training process aims to find such a drift function by minimizing the mean-squared residue related to the conditional expectation. Using small-time approximations of the Green's function of the forward diffusion, we show that the analytical mean drift function in DDPM and the score function in SGM asymptotically blow up in the final stages of the sampling process for singular data distributions such as those concentrated on lower-dimensional manifolds, and are therefore difficult to approximate by a network. To overcome this difficulty, we derive a new target function and associated loss, which remains bounded even for singular data distributions. We validate the theoretical findings with several numerical examples.
Authors: Piotr Teterwak, Kuniaki Saito, Theodoros Tsiligkaridis, Kate Saenko, Bryan A. Plummer
Abstract: Domain Generalization (DG) aims to develop classifiers that can generalize to new, unseen data distributions, a critical capability when collecting new domain-specific data is impractical. A common DG baseline minimizes the empirical risk on the source domains. Recent studies have shown that this approach, known as Empirical Risk Minimization (ERM), can outperform most more complex DG methods when properly tuned. However, these studies have primarily focused on a narrow set of hyperparameters, neglecting other factors that can enhance robustness and prevent overfitting and catastrophic forgetting, properties which are critical for strong DG performance. In our investigation of training data utilization (i.e., duration and setting validation splits), initialization, and additional regularizers, we find that tuning these previously overlooked factors significantly improves model generalization across diverse datasets without adding much complexity. We call this improved, yet simple baseline ERM++. Despite its ease of implementation, ERM++ improves DG performance by over 5\% compared to prior ERM baselines on a standard benchmark of 5 datasets with a ResNet-50 and over 15\% with a ViT-B/16. It also outperforms all state-of-the-art methods on DomainBed datasets with both architectures. Importantly, ERM++ is easy to integrate into existing frameworks like DomainBed, making it a practical and powerful tool for researchers and practitioners. Overall, ERM++ challenges the need for more complex DG methods by providing a stronger, more reliable baseline that maintains simplicity and ease of use. Code is available at \url{https://github.com/piotr-teterwak/erm_plusplus}
Authors: Riccardo Bonalli, Alessandro Rudi
Abstract: We propose a novel non-parametric learning paradigm for the identification of drift and diffusion coefficients of multi-dimensional non-linear stochastic differential equations, which relies upon discrete-time observations of the state. The key idea essentially consists of fitting a RKHS-based approximation of the corresponding Fokker-Planck equation to such observations, yielding theoretical estimates of non-asymptotic learning rates which, unlike previous works, become increasingly tighter when the regularity of the unknown drift and diffusion coefficients becomes higher. Our method being kernel-based, offline pre-processing may be profitably leveraged to enable efficient numerical implementation, offering excellent balance between precision and computational complexity.
Authors: Daniel Wesego, Pedram Rooshenas
Abstract: Multimodal Variational Autoencoders (VAEs) represent a promising group of generative models that facilitate the construction of a tractable posterior within the latent space given multiple modalities. Previous studies have shown that as the number of modalities increases, the generative quality of each modality declines. In this study, we explore an alternative approach to enhance the generative performance of multimodal VAEs by jointly modeling the latent space of independently trained unimodal VAEs using score-based models (SBMs). The role of the SBM is to enforce multimodal coherence by learning the correlation among the latent variables. Consequently, our model combines a better generative quality of unimodal VAEs with coherent integration across different modalities using the latent score-based model. In addition, our approach provides the best unconditional coherence.
Authors: Pengcheng Jiang, Cao Xiao, Tianfan Fu, Parminder Bhatia, Taha Kass-Hout, Jimeng Sun, Jiawei Han
Abstract: Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling molecular data, they often struggle to capture the full complexity of molecular representations. In this paper, we introduce a novel method called GODE, which accounts for the dual-level structure inherent in molecules. Molecules possess an intrinsic graph structure and simultaneously function as nodes within a broader molecular knowledge graph. GODE integrates individual molecular graph representations with multi-domain biochemical data from knowledge graphs. By pre-training two GNNs on different graph structures and employing contrastive learning, GODE effectively fuses molecular structures with their corresponding knowledge graph substructures. This fusion yields a more robust and informative representation, enhancing molecular property predictions by leveraging both chemical and biological information. When fine-tuned across 11 chemical property tasks, our model significantly outperforms existing benchmarks, achieving an average ROC-AUC improvement of 12.7% for classification tasks and an average RMSE/MAE improvement of 34.4% for regression tasks. Notably, GODE surpasses the current leading model in property prediction, with advancements of 2.2% in classification and 7.2% in regression tasks.
Authors: Zixuan Zhang, Kaiqi Zhang, Minshuo Chen, Yuma Takeda, Mengdi Wang, Tuo Zhao, Yu-Xiang Wang
Abstract: Convolutional residual neural networks (ConvResNets), though overparameterized, can achieve remarkable prediction performance in practice, which cannot be well explained by conventional wisdom. To bridge this gap, we study the performance of ConvResNeXts, which cover ConvResNets as a special case, trained with weight decay from the perspective of nonparametric classification. Our analysis allows for infinitely many building blocks in ConvResNeXts, and shows that weight decay implicitly enforces sparsity on these blocks. Specifically, we consider a smooth target function supported on a low-dimensional manifold, then prove that ConvResNeXts can adapt to the function smoothness and low-dimensional structures and efficiently learn the function without suffering from the curse of dimensionality. Our findings partially justify the advantage of overparameterized ConvResNeXts over conventional machine learning models.
Authors: Takashi Matsubara, Takaharu Yaguchi
Abstract: Physics-informed neural networks solve partial differential equations by training neural networks. Since this method approximates infinite-dimensional PDE solutions with finite collocation points, minimizing discretization errors by selecting suitable points is essential for accelerating the learning process. Inspired by number theoretic methods for numerical analysis, we introduce good lattice training and periodization tricks, which ensure the conditions required by the theory. Our experiments demonstrate that GLT requires 2-7 times fewer collocation points, resulting in lower computational cost, while achieving competitive performance compared to typical sampling methods.
Authors: Charles Guille-Escuret, Pierre-Andr\'e No\"el, Ioannis Mitliagkas, David Vazquez, Joao Monteiro
Abstract: Improving the reliability of deployed machine learning systems often involves developing methods to detect out-of-distribution (OOD) inputs. However, existing research often narrowly focuses on samples from classes that are absent from the training set, neglecting other types of plausible distribution shifts. This limitation reduces the applicability of these methods in real-world scenarios, where systems encounter a wide variety of anomalous inputs. In this study, we categorize five distinct types of distribution shifts and critically evaluate the performance of recent OOD detection methods on each of them. We publicly release our benchmark under the name BROAD (Benchmarking Resilience Over Anomaly Diversity). Our findings reveal that while these methods excel in detecting unknown classes, their performance is inconsistent when encountering other types of distribution shifts. In other words, they only reliably detect unexpected inputs that they have been specifically designed to expect. As a first step toward broad OOD detection, we learn a generative model of existing detection scores with a Gaussian mixture. By doing so, we present an ensemble approach that offers a more consistent and comprehensive solution for broad OOD detection, demonstrating superior performance compared to existing methods. Our code to download BROAD and reproduce our experiments is publicly available.
Authors: Jianxiang Yu, Yuxiang Ren, Chenghua Gong, Jiaqi Tan, Xiang Li, Xuecang Zhang
Abstract: Text-attributed graphs have recently garnered significant attention due to their wide range of applications in web domains. Existing methodologies employ word embedding models for acquiring text representations as node features, which are subsequently fed into Graph Neural Networks (GNNs) for training. Recently, the advent of Large Language Models (LLMs) has introduced their powerful capabilities in information retrieval and text generation, which can greatly enhance the text attributes of graph data. Furthermore, the acquisition and labeling of extensive datasets are both costly and time-consuming endeavors. Consequently, few-shot learning has emerged as a crucial problem in the context of graph learning tasks. In order to tackle this challenge, we propose a lightweight paradigm called LLM4NG, which adopts a plug-and-play approach to empower text-attributed graphs through node generation using LLMs. Specifically, we utilize LLMs to extract semantic information from the labels and generate samples that belong to these categories as exemplars. Subsequently, we employ an edge predictor to capture the structural information inherent in the raw dataset and integrate the newly generated samples into the original graph. This approach harnesses LLMs for enhancing class-level information and seamlessly introduces labeled nodes and edges without modifying the raw dataset, thereby facilitating the node classification task in few-shot scenarios. Extensive experiments demonstrate the outstanding performance of our proposed paradigm, particularly in low-shot scenarios. For instance, in the 1-shot setting of the ogbn-arxiv dataset, LLM4NG achieves a 76% improvement over the baseline model.
Authors: Charles Miranda, Janina Sch\"utte, David Sommer, Martin Eigel
Abstract: We sample from a given target distribution by constructing a neural network which maps samples from a simple reference, e.g. the standard normal distribution, to samples from the target. To that end, we propose using a neural network architecture inspired by the Langevin Monte Carlo (LMC) algorithm. Based on LMC perturbation results, we show approximation rates of the proposed architecture for smooth, log-concave target distributions measured in the Wasserstein-$2$ distance. The analysis heavily relies on the notion of sub-Gaussianity of the intermediate measures of the perturbed LMC process. In particular, we derive bounds on the growth of the intermediate variance proxies under different assumptions on the perturbations. Moreover, we propose an architecture similar to deep residual neural networks and derive expressivity results for approximating the sample to target distribution map.
Authors: Yuli Slavutsky, Yuval Benjamini
Abstract: Zero-shot learning methods typically assume that the new, unseen classes encountered during deployment come from the same distribution as the the classes in the training set. However, real-world scenarios often involve class distribution shifts (e.g., in age or gender for person identification), posing challenges for zero-shot classifiers that rely on learned representations from training classes. In this work, we propose and analyze a model that assumes that the attribute responsible for the shift is unknown in advance. We show that in this setting, standard training may lead to non-robust representations. To mitigate this, we develop an algorithm for learning robust representations in which (a) synthetic data environments are constructed via hierarchical sampling, and (b) environment balancing penalization, inspired by out-of-distribution problems, is applied. We show that our algorithm improves generalization to diverse class distributions in both simulations and experiments on real-world datasets.
Authors: Jamie J. R. Bennett, Aviad Susman, Yan Chak Li, Gaurav Pandey
Abstract: In this paper, we introduce eipy--an open-source Python package for developing effective, multi-modal heterogeneous ensembles for classification. eipy simultaneously provides both a rigorous, and user-friendly framework for comparing and selecting the best-performing multi-modal data integration and predictive modeling methods by systematically evaluating their performance using nested cross-validation. The package is designed to leverage scikit-learn-like estimators as components to build multi-modal predictive models. An up-to-date user guide, including API reference and tutorials, for eipy is maintained at https://eipy.readthedocs.io . The main repository for this project can be found on GitHub at https://github.com/GauravPandeyLab/eipy .
URLs: https://eipy.readthedocs.io, https://github.com/GauravPandeyLab/eipy
Authors: Xisen Jin, Xiang Ren
Abstract: Language models deployed in the wild make errors. However, simply updating the model with the corrected error instances causes catastrophic forgetting -- the updated model makes errors on instances learned during the instruction tuning or upstream training phase. Randomly replaying upstream data yields unsatisfactory performance and often comes with high variance and poor controllability. To this end, we try to forecast upstream examples that will be forgotten due to a model update for improved controllability of the replay process and interpretability. We train forecasting models given a collection of online learned examples and corresponding forgotten upstream pre-training examples. We propose a partially interpretable forecasting model based on the observation that changes in pre-softmax logit scores of pretraining examples resemble that of online learned examples, which performs decently on BART but fails on T5 models. We further show a black-box classifier based on inner products of example representations achieves better forecasting performance over a series of setups. Finally, we show that we reduce forgetting of upstream pretraining examples by replaying examples that are forecasted to be forgotten, demonstrating the practical utility of forecasting example forgetting.
Authors: Lu Chen, Shaofeng Li, Benhao Huang, Fan Yang, Zheng Li, Jie Li, Yuan Luo
Abstract: Existing works have extensively studied adversarial examples, which are minimal perturbations that can mislead the output of deep neural networks (DNNs) while remaining imperceptible to humans. However, in this work, we reveal the existence of a harmless perturbation space, in which perturbations drawn from this space, regardless of their magnitudes, leave the network output unchanged when applied to inputs. Essentially, the harmless perturbation space emerges from the usage of non-injective functions (linear or non-linear layers) within DNNs, enabling multiple distinct inputs to be mapped to the same output. For linear layers with input dimensions exceeding output dimensions, any linear combination of the orthogonal bases of the nullspace of the parameter consistently yields no change in their output. For non-linear layers, the harmless perturbation space may expand, depending on the properties of the layers and input samples. Inspired by this property of DNNs, we solve for a family of general perturbation spaces that are redundant for the DNN's decision, and can be used to hide sensitive data and serve as a means of model identification. Our work highlights the distinctive robustness of DNNs (i.e., consistency under large magnitude perturbations) in contrast to adversarial examples (vulnerability for small imperceptible noises).
Authors: Maurice Kraus, David Steinmann, Antonia W\"ust, Andre Kokozinski, Kristian Kersting
Abstract: The reliability of deep time series models is often compromised by their tendency to rely on confounding factors, which may lead to incorrect outputs. Our newly recorded, naturally confounded dataset named P2S from a real mechanical production line emphasizes this. To avoid "Clever-Hans" moments in time series, i.e., to mitigate confounders, we introduce the method Right on Time (RioT). RioT enables, for the first time, interactions with model explanations across both the time and frequency domain. Feedback on explanations in both domains is then used to constrain the model, steering it away from the annotated confounding factors. The dual-domain interaction strategy is crucial for effectively addressing confounders in time series datasets. We empirically demonstrate that RioT can effectively guide models away from the wrong reasons in P2S as well as popular time series classification and forecasting datasets.
Authors: Kaiwei Zhang, Yange Lin, Guangcheng Wu, Yuxiang Ren, Xuecang Zhang, Bo wang, Xiaoyu Zhang, Weitao Du
Abstract: The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge of designing molecular drugs or materials that incorporate multi-modality prior knowledge remains a critical and complex undertaking. Specifically, achieving a practical molecular design necessitates not only meeting the diversity requirements but also addressing structural and textural constraints with various symmetries outlined by domain experts. In this article, we present an innovative approach to tackle this inverse design problem by formulating it as a multi-modality guidance optimization task. Our proposed solution involves a textural-structure alignment symmetric diffusion framework for the implementation of molecular optimization tasks, namely 3DToMolo. 3DToMolo aims to harmonize diverse modalities including textual description features and graph structural features, aligning them seamlessly to produce molecular structures adhere to specified symmetric structural and textural constraints by experts in the field. Experimental trials across three guidance optimization settings have shown a superior hit optimization performance compared to state-of-the-art methodologies. Moreover, 3DToMolo demonstrates the capability to discover potential novel molecules, incorporating specified target substructures, without the need for prior knowledge. This work not only holds general significance for the advancement of deep learning methodologies but also paves the way for a transformative shift in molecular design strategies. 3DToMolo creates opportunities for a more nuanced and effective exploration of the vast chemical space, opening new frontiers in the development of molecular entities with tailored properties and functionalities.
Authors: Zhiqing Sun, Longhui Yu, Yikang Shen, Weiyang Liu, Yiming Yang, Sean Welleck, Chuang Gan
Abstract: Current AI alignment methodologies rely on human-provided demonstrations or judgments, and the learned capabilities of AI systems would be upper-bounded by human capabilities as a result. This raises a challenging research question: How can we keep improving the systems when their capabilities have surpassed the levels of humans? This paper answers this question in the context of tackling hard reasoning tasks (e.g., level 4-5 MATH problems) via learning from human annotations on easier tasks (e.g., level 1-3 MATH problems), which we term as easy-to-hard generalization. Our key insight is that an evaluator (reward model) trained on supervisions for easier tasks can be effectively used for scoring candidate solutions of harder tasks and hence facilitating easy-to-hard generalization over different levels of tasks. Based on this insight, we propose a novel approach to scalable alignment, which firstly trains the (process-supervised) reward models on easy problems (e.g., level 1-3), and then uses them to evaluate the performance of policy models on hard problems. We show that such easy-to-hard generalization from evaluators can enable easy-to-hard generalizations in generators either through re-ranking or reinforcement learning (RL). Notably, our process-supervised 7b RL model and 34b model (reranking@1024) achieves an accuracy of 34.0% and 52.5% on MATH500, respectively, despite only using human supervision on easy problems. Our approach suggests a promising path toward AI systems that advance beyond the frontier of human supervision.
Authors: Filip Granqvist, Congzheng Song, \'Aine Cahill, Rogier van Dalen, Martin Pelikan, Yi Sheng Chan, Xiaojun Feng, Natarajan Krishnaswami, Vojta Jina, Mona Chitnis
Abstract: Federated learning (FL) is an emerging machine learning (ML) training paradigm where clients own their data and collaborate to train a global model, without revealing any data to the server and other participants. Researchers commonly perform experiments in a simulation environment to quickly iterate on ideas. However, existing open-source tools do not offer the efficiency required to simulate FL on larger and more realistic FL datasets. We introduce pfl-research, a fast, modular, and easy-to-use Python framework for simulating FL. It supports TensorFlow, PyTorch, and non-neural network models, and is tightly integrated with state-of-the-art privacy algorithms. We study the speed of open-source FL frameworks and show that pfl-research is 7-72$\times$ faster than alternative open-source frameworks on common cross-device setups. Such speedup will significantly boost the productivity of the FL research community and enable testing hypotheses on realistic FL datasets that were previously too resource intensive. We release a suite of benchmarks that evaluates an algorithm's overall performance on a diverse set of realistic scenarios. The code is available on GitHub at https://github.com/apple/pfl-research.
Authors: Zhaolin Gao, Jonathan D. Chang, Wenhao Zhan, Owen Oertell, Gokul Swamy, Kiant\'e Brantley, Thorsten Joachims, J. Andrew Bagnell, Jason D. Lee, Wen Sun
Abstract: While originally developed for continuous control problems, Proximal Policy Optimization (PPO) has emerged as the work-horse of a variety of reinforcement learning (RL) applications, including the fine-tuning of generative models. Unfortunately, PPO requires multiple heuristics to enable stable convergence (e.g. value networks, clipping), and is notorious for its sensitivity to the precise implementation of these components. In response, we take a step back and ask what a minimalist RL algorithm for the era of generative models would look like. We propose REBEL, an algorithm that cleanly reduces the problem of policy optimization to regressing the relative reward between two completions to a prompt in terms of the policy, enabling strikingly lightweight implementation. In theory, we prove that fundamental RL algorithms like Natural Policy Gradient can be seen as variants of REBEL, which allows us to match the strongest known theoretical guarantees in terms of convergence and sample complexity in the RL literature. REBEL can also cleanly incorporate offline data and be extended to handle the intransitive preferences we frequently see in practice. Empirically, we find that REBEL provides a unified approach to language modeling and image generation with stronger or similar performance as PPO and DPO, all while being simpler to implement and more computationally efficient than PPO. When fine-tuning Llama-3-8B-Instruct, REBEL achieves strong performance in AlpacaEval 2.0, MT-Bench, and Open LLM Leaderboard.
Authors: Sebastian Bruch, Aditya Krishnan, Franco Maria Nardini
Abstract: Clustering-based nearest neighbor search is an effective method in which points are partitioned into geometric shards to form an index, with only a few shards searched during query processing to find a set of top-$k$ vectors. Even though the search efficacy is heavily influenced by the algorithm that identifies the shards to probe, it has received little attention in the literature. This work bridges that gap by studying routing in clustering-based maximum inner product search. We unpack existing routers and notice the surprising contribution of optimism. We then take a page from the sequential decision making literature and formalize that insight following the principle of ``optimism in the face of uncertainty.'' In particular, we present a framework that incorporates the moments of the distribution of inner products within each shard to estimate the maximum inner product. We then present an instance of our algorithm that uses only the first two moments to reach the same accuracy as state-of-the-art routers such as ScaNN by probing up to $50\%$ fewer points on benchmark datasets. Our algorithm is also space-efficient: we design a sketch of the second moment whose size is independent of the number of points and requires $\mathcal{O}(1)$ vectors per shard.
Authors: Minsu Kim, Walid Saad, Merouane Debbah, Choong Seon Hong
Abstract: The large communication and computation overhead of federated learning (FL) is one of the main challenges facing its practical deployment over resource-constrained clients and systems. In this work, SpaFL: a communication-efficient FL framework is proposed to optimize sparse model structures with low computational overhead. In SpaFL, a trainable threshold is defined for each filter/neuron to prune its all connected parameters, thereby leading to structured sparsity. To optimize the pruning process itself, only thresholds are communicated between a server and clients instead of parameters, thereby learning how to prune. Further, global thresholds are used to update model parameters by extracting aggregated parameter importance. The generalization bound of SpaFL is also derived, thereby proving key insights on the relation between sparsity and performance. Experimental results show that SpaFL improves accuracy while requiring much less communication and computing resources compared to sparse baselines. The code is available at https://github.com/news-vt/SpaFL_NeruIPS_2024
Authors: Marco Pacini, Xiaowen Dong, Bruno Lepri, Gabriele Santin
Abstract: The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.
Authors: Timoth\'ee Devergne, Vladimir Kostic, Michele Parrinello, Massimiliano Pontil
Abstract: We investigate learning the eigenfunctions of evolution operators for time-reversal invariant stochastic processes, a prime example being the Langevin equation used in molecular dynamics. Many physical or chemical processes described by this equation involve transitions between metastable states separated by high potential barriers that can hardly be crossed during a simulation. To overcome this bottleneck, data are collected via biased simulations that explore the state space more rapidly. We propose a framework for learning from biased simulations rooted in the infinitesimal generator of the process and the associated resolvent operator. We contrast our approach to more common ones based on the transfer operator, showing that it can provably learn the spectral properties of the unbiased system from biased data. In experiments, we highlight the advantages of our method over transfer operator approaches and recent developments based on generator learning, demonstrating its effectiveness in estimating eigenfunctions and eigenvalues. Importantly, we show that even with datasets containing only a few relevant transitions due to sub-optimal biasing, our approach recovers relevant information about the transition mechanism.
Authors: Utsav Singh, Souradip Chakraborty, Wesley A. Suttle, Brian M. Sadler, Vinay P Namboodiri, Amrit Singh Bedi
Abstract: Learning control policies to perform complex robotics tasks from human preference data presents significant challenges. On the one hand, the complexity of such tasks typically requires learning policies to perform a variety of subtasks, then combining them to achieve the overall goal. At the same time, comprehensive, well-engineered reward functions are typically unavailable in such problems, while limited human preference data often is; making efficient use of such data to guide learning is therefore essential. Methods for learning to perform complex robotics tasks from human preference data must overcome both these challenges simultaneously. In this work, we introduce DIPPER: Direct Preference Optimization to Accelerate Primitive-Enabled Hierarchical Reinforcement Learning, an efficient hierarchical approach that leverages direct preference optimization to learn a higher-level policy and reinforcement learning to learn a lower-level policy. DIPPER enjoys improved computational efficiency due to its use of direct preference optimization instead of standard preference-based approaches such as reinforcement learning from human feedback, while it also mitigates the well-known hierarchical reinforcement learning issues of non-stationarity and infeasible subgoal generation due to our use of primitive-informed regularization inspired by a novel bi-level optimization formulation of the hierarchical reinforcement learning problem. To validate our approach, we perform extensive experimental analysis on a variety of challenging robotics tasks, demonstrating that DIPPER outperforms hierarchical and non-hierarchical baselines, while ameliorating the non-stationarity and infeasible subgoal generation issues of hierarchical reinforcement learning.
Authors: Siyan Zhao, Tung Nguyen, Aditya Grover
Abstract: In-context learning is a key paradigm in large language models (LLMs) that enables them to generalize to new tasks and domains by simply prompting these models with a few exemplars without explicit parameter updates. Many attempts have been made to understand in-context learning in LLMs as a function of model scale, pretraining data, and other factors. In this work, we propose a new mechanism to probe and understand in-context learning from the lens of decision boundaries for in-context binary classification. Decision boundaries are straightforward to visualize and provide important information about the qualitative behavior of the inductive biases of standard classifiers. To our surprise, we find that the decision boundaries learned by current LLMs in simple binary classification tasks are often irregular and non-smooth, regardless of linear separability in the underlying task. This paper investigates the factors influencing these decision boundaries and explores methods to enhance their generalizability. We assess various approaches, including training-free and fine-tuning methods for LLMs, the impact of model architecture, and the effectiveness of active prompting techniques for smoothing decision boundaries in a data-efficient manner. Our findings provide a deeper understanding of in-context learning dynamics and offer practical improvements for enhancing robustness and generalizability of in-context learning.
Authors: Thea Br\"usch, Kristoffer Knutsen Wickstr{\o}m, Mikkel N. Schmidt, Tommy Sonne Alstr{\o}m, Robert Jenssen
Abstract: Time-series data are fundamentally important for many critical domains such as healthcare, finance, and climate, where explainable models are necessary for safe automated decision making. To develop explainable artificial intelligence in these domains therefore implies explaining salient information in the time series. Current methods for obtaining saliency maps assume localized information in the raw input space. In this paper, we argue that the salient information of a number of time series is more likely to be localized in the frequency domain. We propose FreqRISE, which uses masking-based methods to produce explanations in the frequency and time-frequency domain, and outperforms strong baselines across a number of tasks. The source code is available here: \url{https://github.com/theabrusch/FreqRISE}.
Authors: Tian Tian, Lin F. Yang, Csaba Szepesv\'ari
Abstract: The constrained Markov decision process (CMDP) framework emerges as an important reinforcement learning approach for imposing safety or other critical objectives while maximizing cumulative reward. However, the current understanding of how to learn efficiently in a CMDP environment with a potentially infinite number of states remains under investigation, particularly when function approximation is applied to the value functions. In this paper, we address the learning problem given linear function approximation with $q_{\pi}$-realizability, where the value functions of all policies are linearly representable with a known feature map, a setting known to be more general and challenging than other linear settings. Utilizing a local-access model, we propose a novel primal-dual algorithm that, after $\tilde{O}(\text{poly}(d) \epsilon^{-3})$ queries, outputs with high probability a policy that strictly satisfies the constraints while nearly optimizing the value with respect to a reward function. Here, $d$ is the feature dimension and $\epsilon > 0$ is a given error. The algorithm relies on a carefully crafted off-policy evaluation procedure to evaluate the policy using historical data, which informs policy updates through policy gradients and conserves samples. To our knowledge, this is the first result achieving polynomial sample complexity for CMDP in the $q_{\pi}$-realizable setting.
Authors: Core Francisco Park, Maya Okawa, Andrew Lee, Hidenori Tanaka, Ekdeep Singh Lubana
Abstract: Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.
Authors: Boyuan Chen, Diego Marti Monso, Yilun Du, Max Simchowitz, Russ Tedrake, Vincent Sitzmann
Abstract: This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a causal next-token prediction model to generate one or several future tokens without fully diffusing past ones. Our approach is shown to combine the strengths of next-token prediction models, such as variable-length generation, with the strengths of full-sequence diffusion models, such as the ability to guide sampling to desirable trajectories. Our method offers a range of additional capabilities, such as (1) rolling-out sequences of continuous tokens, such as video, with lengths past the training horizon, where baselines diverge and (2) new sampling and guiding schemes that uniquely profit from Diffusion Forcing's variable-horizon and causal architecture, and which lead to marked performance gains in decision-making and planning tasks. In addition to its empirical success, our method is proven to optimize a variational lower bound on the likelihoods of all subsequences of tokens drawn from the true joint distribution. Project website: https://boyuan.space/diffusion-forcing
Authors: Xuan Liu, Siqi Cai, Qihua Zhou, Song Guo, Ruibin Li, Kaiwei Lin
Abstract: Perturbation-based mechanisms, such as differential privacy, mitigate gradient leakage attacks by introducing noise into the gradients, thereby preventing attackers from reconstructing clients' private data from the leaked gradients. However, can gradient perturbation protection mechanisms truly defend against all gradient leakage attacks? In this paper, we present the first attempt to break the shield of gradient perturbation protection in Federated Learning for the extraction of private information. We focus on common noise distributions, specifically Gaussian and Laplace, and apply our approach to DNN and CNN models. We introduce Mjolnir, a perturbation-resilient gradient leakage attack that is capable of removing perturbations from gradients without requiring additional access to the original model structure or external data. Specifically, we leverage the inherent diffusion properties of gradient perturbation protection to develop a novel diffusion-based gradient denoising model for Mjolnir. By constructing a surrogate client model that captures the structure of perturbed gradients, we obtain crucial gradient data for training the diffusion model. We further utilize the insight that monitoring disturbance levels during the reverse diffusion process can enhance gradient denoising capabilities, allowing Mjolnir to generate gradients that closely approximate the original, unperturbed versions through adaptive sampling steps. Extensive experiments demonstrate that Mjolnir effectively recovers the protected gradients and exposes the Federated Learning process to the threat of gradient leakage, achieving superior performance in gradient denoising and private data recovery.
Authors: Tianrui Ji, Yuntian Hou, Di Zhang
Abstract: Through this comprehensive survey of Kolmogorov-Arnold Networks(KAN), we have gained a thorough understanding of its theoretical foundation, architectural design, application scenarios, and current research progress. KAN, with its unique architecture and flexible activation functions, excels in handling complex data patterns and nonlinear relationships, demonstrating wide-ranging application potential. While challenges remain, KAN is poised to pave the way for innovative solutions in various fields, potentially revolutionizing how we approach complex computational problems.
Authors: Daniel Tan, David Chanin, Aengus Lynch, Dimitrios Kanoulas, Brooks Paige, Adria Garriga-Alonso, Robert Kirk
Abstract: Steering vectors (SVs) are a new approach to efficiently adjust language model behaviour at inference time by intervening on intermediate model activations. They have shown promise in terms of improving both capabilities and model alignment. However, the reliability and generalisation properties of this approach are unknown. In this work, we rigorously investigate these properties, and show that steering vectors have substantial limitations both in- and out-of-distribution. In-distribution, steerability is highly variable across different inputs. Depending on the concept, spurious biases can substantially contribute to how effective steering is for each input, presenting a challenge for the widespread use of steering vectors. Out-of-distribution, while steering vectors often generalise well, for several concepts they are brittle to reasonable changes in the prompt, resulting in them failing to generalise well. Overall, our findings show that while steering can work well in the right circumstances, there remain many technical difficulties of applying steering vectors to guide models' behaviour at scale. Our code is available at https://github.com/dtch1997/steering-bench
Authors: Bahador Bahmani, Somdatta Goswami, Ioannis G. Kevrekidis, Michael D. Shields
Abstract: The Deep Operator Network (DeepONet) is a powerful neural operator architecture that uses two neural networks to map between infinite-dimensional function spaces. This architecture allows for the evaluation of the solution field at any location within the domain but requires input functions to be discretized at identical locations, limiting practical applications. We introduce a general framework for operator learning from input-output data with arbitrary sensor locations and counts. This begins by introducing a resolution-independent DeepONet (RI-DeepONet), which handles input functions discretized arbitrarily but sufficiently finely. To achieve this, we propose two dictionary learning algorithms that adaptively learn continuous basis functions, parameterized as implicit neural representations (INRs), from correlated signals on arbitrary point clouds. These basis functions project input function data onto a finite-dimensional embedding space, making it compatible with DeepONet without architectural changes. We specifically use sinusoidal representation networks (SIRENs) as trainable INR basis functions. Similarly, the dictionary learning algorithms identify basis functions for output data, defining a new neural operator architecture: the Resolution Independent Neural Operator (RINO). In RINO, the operator learning task reduces to mapping coefficients of input basis functions to output basis functions. We demonstrate RINO's robustness and applicability in handling arbitrarily sampled input and output functions during both training and inference through several numerical examples.
Authors: Muhammad Uzair Zahid, Serkan Kiranyaz, Alper Yildirim, Moncef Gabbouj
Abstract: Objective: Many studies on radar signal restoration in the literature focus on isolated restoration problems, such as denoising over a certain type of noise, while ignoring other types of artifacts. Additionally, these approaches usually assume a noisy environment with a limited set of fixed signal-to-noise ratio (SNR) levels. However, real-world radar signals are often corrupted by a blend of artifacts, including but not limited to unwanted echo, sensor noise, intentional jamming, and interference, each of which can vary in type, severity, and duration. This study introduces Blind Radar Signal Restoration using an Operational Generative Adversarial Network (BRSR-OpGAN), which uses a dual domain loss in the temporal and spectral domains. This approach is designed to improve the quality of radar signals, regardless of the diversity and intensity of the corruption. Methods: The BRSR-OpGAN utilizes 1D Operational GANs, which use a generative neuron model specifically optimized for blind restoration of corrupted radar signals. This approach leverages GANs' flexibility to adapt dynamically to a wide range of artifact characteristics. Results: The proposed approach has been extensively evaluated using a well-established baseline and a newly curated extended dataset called the Blind Radar Signal Restoration (BRSR) dataset. This dataset was designed to simulate real-world conditions and includes a variety of artifacts, each varying in severity. The evaluation shows an average SNR improvement over 15.1 dB and 14.3 dB for the baseline and BRSR datasets, respectively. Finally, even on resource-constrained platforms, the proposed approach can be applied in real-time.
Authors: Elyssa Hofgard, Rui Wang, Robin Walters, Tess Smidt
Abstract: 3D Euclidean symmetry equivariant neural networks have demonstrated notable success in modeling complex physical systems. We introduce a framework for relaxed $E(3)$ graph equivariant neural networks that can learn and represent symmetry breaking within continuous groups. Building on the existing e3nn framework, we propose the use of relaxed weights to allow for controlled symmetry breaking. We show empirically that these relaxed weights learn the correct amount of symmetry breaking.
Authors: Ignacy St\k{e}pka, Mateusz Lango, Jerzy Stefanowski
Abstract: Counterfactual explanations (CFEs) guide users on how to adjust inputs to machine learning models to achieve desired outputs. While existing research primarily addresses static scenarios, real-world applications often involve data or model changes, potentially invalidating previously generated CFEs and rendering user-induced input changes ineffective. Current methods addressing this issue often support only specific models or change types, require extensive hyperparameter tuning, or fail to provide probabilistic guarantees on CFE robustness to model changes. This paper proposes a novel approach for generating CFEs that provides probabilistic guarantees for any model and change type, while offering interpretable and easy-to-select hyperparameters. We establish a theoretical framework for probabilistically defining robustness to model change and demonstrate how our BetaRCE method directly stems from it. BetaRCE is a post-hoc method applied alongside a chosen base CFE generation method to enhance the quality of the explanation beyond robustness. It facilitates a transition from the base explanation to a more robust one with user-adjusted probability bounds. Through experimental comparisons with baselines, we show that BetaRCE yields robust, most plausible, and closest to baseline counterfactual explanations.
Authors: Wei Shen, Chuheng Zhang
Abstract: Reinforcement learning from human feedback (RLHF) is one of the key techniques that helps large language models (LLMs) to follow instructions and provide helpful and harmless responses. While direct policy optimization methods exist, state-of-the-art LLMs adopt RL-based methods (usually PPO) in RLHF to train the policy to generate good responses guided by a reward model learned from preference data. The main challenge of these methods is the inaccuracy of the intermediate reward model, especially in code generation tasks that require long and complex reasoning to score a response. We find that the reliability of the reward model varies across responses assigned with different rewards. This motivates us to filter the samples whose rewards may be unreliable to improve signal-to-noise ratio during policy learning, resulting in Policy Filtration for Proximal Policy Optimization (PF-PPO). To choose a proper policy filtration strategy for a given reward model, the coefficient of determination ($R^2$) between rewards and actual scores on filtered samples serves as a good metrics and helps us find several promising strategies. We provide extensive experiments to validate the effectiveness of PF-PPO in code generation tasks, and find that some variants of PF-PPO are highly effective and achieve new state-of-the-art performance across 7-billion-parameter models on HumanEval, MBPP, and a new and more challenging LeetCode Contest benchmark.
Authors: Arya Grayeli, Atharva Sehgal, Omar Costilla-Reyes, Miles Cranmer, Swarat Chaudhuri
Abstract: We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods by inducing a library of abstract textual concepts. Our algorithm, called LaSR, uses zero-shot queries to a large language model (LLM) to discover and evolve concepts occurring in known high-performing hypotheses. We discover new hypotheses using a mix of standard evolutionary steps and LLM-guided steps (obtained through zero-shot LLM queries) conditioned on discovered concepts. Once discovered, hypotheses are used in a new round of concept abstraction and evolution. We validate LaSR on the Feynman equations, a popular SR benchmark, as well as a set of synthetic tasks. On these benchmarks, LaSR substantially outperforms a variety of state-of-the-art SR approaches based on deep learning and evolutionary algorithms. Moreover, we show that LaSR can be used to discover a novel and powerful scaling law for LLMs.
Authors: Madhav Muthyala, Farshud Sorourifar, Joel A. Paulson
Abstract: Symbolic regression (SR) is a powerful machine learning approach that searches for both the structure and parameters of algebraic models, offering interpretable and compact representations of complex data. Unlike traditional regression methods, SR explores progressively complex feature spaces, which can uncover simple models that generalize well, even from small datasets. Among SR algorithms, the Sure Independence Screening and Sparsifying Operator (SISSO) has proven particularly effective in the natural sciences, helping to rediscover fundamental physical laws as well as discover new interpretable equations for materials property modeling. However, its widespread adoption has been limited by performance inefficiencies and the challenges posed by its FORTRAN-based implementation, especially in modern computing environments. In this work, we introduce TorchSISSO, a native Python implementation built in the PyTorch framework. TorchSISSO leverages GPU acceleration, easy integration, and extensibility, offering a significant speed-up and improved accuracy over the original. We demonstrate that TorchSISSO matches or exceeds the performance of the original SISSO across a range of tasks, while dramatically reducing computational time and improving accessibility for broader scientific applications.
Authors: Yuanqi Du, Michael Plainer, Rob Brekelmans, Chenru Duan, Frank No\'e, Carla P. Gomes, Al\'an Aspuru-Guzik, Kirill Neklyudov
Abstract: Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large space of trajectories. For settings where the dynamical system of interest follows a Brownian motion with known drift, the question of conditioning the process to reach a given endpoint or desired rare event is definitively answered by Doob's h-transform. However, the naive estimation of this transform is infeasible, as it requires simulating sufficiently many forward trajectories to estimate rare event probabilities. In this work, we propose a variational formulation of Doob's h-transform as an optimization problem over trajectories between a given initial point and the desired ending point. To solve this optimization, we propose a simulation-free training objective with a model parameterization that imposes the desired boundary conditions by design. Our approach significantly reduces the search space over trajectories and avoids expensive trajectory simulation and inefficient importance sampling estimators which are required in existing methods. We demonstrate the ability of our method to find feasible transition paths on real-world molecular simulation and protein folding tasks.
Authors: Mingliang Liang, Martha Larson
Abstract: We propose Word-Frequency-based Image-Text Pair Pruning (WFPP), a novel data pruning method that improves the efficiency of VLMs. Unlike MetaCLIP, our method does not need metadata for pruning, but selects text-image pairs to prune based on the content of the text. Specifically, WFPP prunes text-image pairs containing high-frequency words across the entire training dataset. The effect of WFPP is to reduce the dominance of frequent words. The result a better balanced word-frequency distribution in the dataset, which is known to improve the training of word embedding models. After pre-training on the pruned subset, we fine-tuned the model on the entire dataset for one additional epoch to achieve better performance. Our experiments demonstrate that applying WFPP when training a CLIP model improves performance on a wide range of downstream tasks. WFPP also provides the advantage of speeding up pre-training by using fewer samples. Additionally, we analyze the training data before and after pruning to visualize how WFPP changes the balance of word frequencies. We hope our work encourages researchers to consider the distribution of words in the training data when pre-training VLMs, not limited to CLIP.
Authors: Yuchen Cao, Jianglai Dai, Zhongyan Wang, Yeyubei Zhang, Xiaorui Shen, Yunchong Liu, Yexin Tian
Abstract: The global rise in depression necessitates innovative detection methods for early intervention. Social media provides a unique opportunity to identify depression through user-generated posts. This systematic review evaluates machine learning (ML) models for depression detection on social media, focusing on biases and methodological challenges throughout the ML lifecycle. A search of PubMed, IEEE Xplore, and Google Scholar identified 47 relevant studies published after 2010. The Prediction model Risk Of Bias ASsessment Tool (PROBAST) was utilized to assess methodological quality and risk of bias. Significant biases impacting model reliability and generalizability were found. There is a predominant reliance on Twitter (63.8%) and English-language content (over 90%), with most studies focusing on users from the United States and Europe. Non-probability sampling methods (approximately 80%) limit representativeness. Only 23% of studies explicitly addressed linguistic nuances like negations, crucial for accurate sentiment analysis. Inconsistent hyperparameter tuning was observed, with only 27.7% properly tuning models. About 17% did not adequately partition data into training, validation, and test sets, risking overfitting. While 74.5% used appropriate evaluation metrics for imbalanced data, others relied on accuracy without addressing class imbalance, potentially skewing results. Reporting transparency varied, often lacking critical methodological details. These findings highlight the need to diversify data sources, standardize preprocessing protocols, ensure consistent model development practices, address class imbalance, and enhance reporting transparency. By overcoming these challenges, future research can develop more robust and generalizable ML models for depression detection on social media, contributing to improved mental health outcomes globally.
Authors: Juyong Lee, Dongyoon Hahm, June Suk Choi, W. Bradley Knox, Kimin Lee
Abstract: Autonomous agents powered by large language models (LLMs) show promising potential in assistive tasks across various domains, including mobile device control. As these agents interact directly with personal information and device settings, ensuring their safe and reliable behavior is crucial to prevent undesirable outcomes. However, no benchmark exists for standardized evaluation of the safety of mobile device-control agents. In this work, we introduce MobileSafetyBench, a benchmark designed to evaluate the safety of device-control agents within a realistic mobile environment based on Android emulators. We develop a diverse set of tasks involving interactions with various mobile applications, including messaging and banking applications, challenging agents with managing risks encompassing misuse and negative side effects. These tasks include tests to evaluate the safety of agents in daily scenarios as well as their robustness against indirect prompt injection attacks. Our experiments demonstrate that baseline agents, based on state-of-the-art LLMs, often fail to effectively prevent harm while performing the tasks. To mitigate these safety concerns, we propose a prompting method that encourages agents to prioritize safety considerations. While this method shows promise in promoting safer behaviors, there is still considerable room for improvement to fully earn user trust. This highlights the urgent need for continued research to develop more robust safety mechanisms in mobile environments. We open-source our benchmark at: https://mobilesafetybench.github.io/.
Authors: Nicol\'as Nieto, Simon B. Eickhoff, Christian Jung, Martin Reuter, Kersten Diers, Malte Kelm, Artur Lichtenberg, Federico Raimondo, Kaustubh R. Patil
Abstract: Machine learning (ML) models benefit from large datasets. Collecting data in biomedical domains is costly and challenging, hence, combining datasets has become a common practice. However, datasets obtained under different conditions could present undesired site-specific variability. Data harmonization methods aim to remove site-specific variance while retaining biologically relevant information. This study evaluates the effectiveness of popularly used ComBat-based methods for harmonizing data in scenarios where the class balance is not equal across sites. We find that these methods struggle with data leakage issues. To overcome this problem, we propose a novel approach PrettYharmonize, designed to harmonize data by pretending the target labels. We validate our approach using controlled datasets designed to benchmark the utility of harmonization. Finally, using real-world MRI and clinical data, we compare leakage-prone methods with PrettYharmonize and show that it achieves comparable performance while avoiding data leakage, particularly in site-target-dependence scenarios.
Authors: Yunchong Liu, Xiaorui Shen, Yeyubei Zhang, Zhongyan Wang, Yexin Tian, Jianglai Dai, Yuchen Cao
Abstract: Social media platforms like Twitter, Facebook, and Instagram have facilitated the spread of misinformation, necessitating automated detection systems. This systematic review evaluates 36 studies that apply machine learning (ML) and deep learning (DL) models to detect fake news, spam, and fake accounts on social media. Using the Prediction model Risk Of Bias ASsessment Tool (PROBAST), the review identified key biases across the ML lifecycle: selection bias due to non-representative sampling, inadequate handling of class imbalance, insufficient linguistic preprocessing (e.g., negations), and inconsistent hyperparameter tuning. Although models such as Support Vector Machines (SVM), Random Forests, and Long Short-Term Memory (LSTM) networks showed strong potential, over-reliance on accuracy as an evaluation metric in imbalanced data settings was a common flaw. The review highlights the need for improved data preprocessing (e.g., resampling techniques), consistent hyperparameter tuning, and the use of appropriate metrics like precision, recall, F1 score, and AUROC. Addressing these limitations can lead to more reliable and generalizable ML/DL models for detecting deceptive content, ultimately contributing to the reduction of misinformation on social media.
Authors: Taiwo A. Adebiyi, Bach Do, Ruda Zhang
Abstract: Bayesian optimization devolves the global optimization of a costly objective function to the global optimization of a sequence of acquisition functions. This inner-loop optimization can be catastrophically difficult if it involves posterior sample paths, especially in higher dimensions. We introduce an efficient global optimization strategy for posterior samples based on global rootfinding. It provides gradient-based optimizers with two sets of judiciously selected starting points, designed to combine exploration and exploitation. The number of starting points can be kept small without sacrificing optimization quality. Remarkably, even with just one point from each set, the global optimum is discovered most of the time. The algorithm scales practically linearly to high dimensions, breaking the curse of dimensionality. For Gaussian process Thompson sampling (GP-TS), we demonstrate remarkable improvement in both inner- and outer-loop optimization, surprisingly outperforming alternatives like EI and GP-UCB in most cases. Our approach also improves the performance of other posterior sample-based acquisition functions, such as variants of entropy search. Furthermore, we propose a sample-average formulation of GP-TS, which has a parameter to explicitly control exploitation and can be computed at the cost of one posterior sample. Our implementation is available at https://github.com/UQUH/TSRoots .
Authors: Guan Zhe Hong, Yin Cui, Ariel Fuxman, Stanley Chan, Enming Luo
Abstract: Recent studies show that pretraining a deep neural network with fine-grained labeled data, followed by fine-tuning on coarse-labeled data for downstream tasks, often yields better generalization than pretraining with coarse-labeled data. While there is ample empirical evidence supporting this, the theoretical justification remains an open problem. This paper addresses this gap by introducing a "hierarchical multi-view" structure to confine the input data distribution. Under this framework, we prove that: 1) coarse-grained pretraining only allows a neural network to learn the common features well, while 2) fine-grained pretraining helps the network learn the rare features in addition to the common ones, leading to improved accuracy on hard downstream test samples.
Authors: Thanh Nguyen-Tang, Raman Arora
Abstract: We study learning in a dynamically evolving environment modeled as a Markov game between a learner and a strategic opponent that can adapt to the learner's strategies. While most existing works in Markov games focus on external regret as the learning objective, external regret becomes inadequate when the adversaries are adaptive. In this work, we focus on \emph{policy regret} -- a counterfactual notion that aims to compete with the return that would have been attained if the learner had followed the best fixed sequence of policy, in hindsight. We show that if the opponent has unbounded memory or if it is non-stationary, then sample-efficient learning is not possible. For memory-bounded and stationary, we show that learning is still statistically hard if the set of feasible strategies for the learner is exponentially large. To guarantee learnability, we introduce a new notion of \emph{consistent} adaptive adversaries, wherein, the adversary responds similarly to similar strategies of the learner. We provide algorithms that achieve $\sqrt{T}$ policy regret against memory-bounded, stationary, and consistent adversaries.
Authors: Tom Pelletreau-Duris, Ruud van Bakel, Michael Cochez
Abstract: Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made remarkable progress in the interpretability of ML models. However, the non-relational nature of Graph neural networks (GNNs) make it difficult to reuse already existing XAI methods. While other works have focused on instance-based explanation methods for GNNs, very few have investigated model-based methods and, to our knowledge, none have tried to probe the embedding of the GNNs for well-known structural graph properties. In this paper we present a model agnostic explainability pipeline for GNNs employing diagnostic classifiers. This pipeline aims to probe and interpret the learned representations in GNNs across various architectures and datasets, refining our understanding and trust in these models.
Authors: Jingqi Zeng, Xiaobin Jia
Abstract: Traditional Chinese Medicine (TCM) involves complex compatibility mechanisms characterized by multi-component and multi-target interactions, which are challenging to quantify. To address this challenge, we applied graph artificial intelligence to develop a TCM multi-dimensional knowledge graph that bridges traditional TCM theory and modern biomedical science (https://zenodo.org/records/13763953 ). Using feature engineering and embedding, we processed key TCM terminology and Chinese herbal pieces (CHP), introducing medicinal properties as virtual nodes and employing graph neural networks with attention mechanisms to model and analyze 6,080 Chinese herbal formulas (CHF). Our method quantitatively assessed the roles of CHP within CHF and was validated using 215 CHF designed for COVID-19 management. With interpretable models, open-source data, and code (https://github.com/ZENGJingqi/GraphAI-for-TCM ), this study provides robust tools for advancing TCM theory and drug discovery.
URLs: https://zenodo.org/records/13763953, https://github.com/ZENGJingqi/GraphAI-for-TCM
Authors: Alexander Capstick, Rahul G. Krishnan, Payam Barnaghi
Abstract: Large language models (LLMs), trained on diverse data effectively acquire a breadth of information across various domains. However, their computational complexity, cost, and lack of transparency hinder their direct application for specialised tasks. In fields such as clinical research, acquiring expert annotations or prior knowledge about predictive models is often costly and time-consuming. This study proposes the use of LLMs to elicit expert prior distributions for predictive models. This approach also provides an alternative to in-context learning, where language models are tasked with making predictions directly. In this work, we compare LLM-elicited and uninformative priors, evaluate whether LLMs truthfully generate parameter distributions, and propose a model selection strategy for in-context learning and prior elicitation. Our findings show that LLM-elicited prior parameter distributions significantly reduce predictive error compared to uninformative priors in low-data settings. Applied to clinical problems, this translates to fewer required biological samples, lowering cost and resources. Prior elicitation also consistently outperforms and proves more reliable than in-context learning at a lower cost, making it a preferred alternative in our setting. We demonstrate the utility of this method across various use cases, including clinical applications. For infection prediction, using LLM-elicited priors reduced the number of required labels to achieve the same accuracy as an uninformative prior by 55%, 200 days earlier in the study.
Authors: Wanxue Dong, Maria De-Arteaga, Maytal Saar-Tsechansky
Abstract: Biased human decisions have consequential impacts across various domains, yielding unfair treatment of individuals and resulting in suboptimal outcomes for organizations and society. In recognition of this fact, organizations regularly design and deploy interventions aimed at mitigating these biases. However, measuring human decision biases remains an important but elusive task. Organizations are frequently concerned with mistaken decisions disproportionately affecting one group. In practice, however, this is typically not possible to assess due to the scarcity of a gold standard: a label that indicates what the correct decision would have been. In this work, we propose a machine learning-based framework to assess bias in human-generated decisions when gold standard labels are scarce. We provide theoretical guarantees and empirical evidence demonstrating the superiority of our method over existing alternatives. This proposed methodology establishes a foundation for transparency in human decision-making, carrying substantial implications for managerial duties, and offering potential for alleviating algorithmic biases when human decisions are used as labels to train algorithms.
Authors: Hengkui Wu, Panpan Chi, Yongfeng Zhu, Liujiang Liu, Shuyang Hu, Yuexin Wang, Chen Zhou, Qihao Wang, Yingsi Xin, Bruce Liu, Dahao Liang, Xinglong Jia, Manqi Ruan
Abstract: For decades, researchers have developed task-specific models to address scientific challenges across diverse disciplines. Recently, large language models (LLMs) have shown enormous capabilities in handling general tasks; however, these models encounter difficulties in addressing real-world scientific problems, particularly in domains involving large-scale numerical data analysis, such as experimental high energy physics. This limitation is primarily due to BPE tokenization's inefficacy with numerical data. In this paper, we propose a task-agnostic architecture, BBT-Neutron, which employs a binary tokenization method to facilitate pretraining on a mixture of textual and large-scale numerical experimental data. We demonstrate the application of BBT-Neutron to Jet Origin Identification (JoI), a critical categorization challenge in high-energy physics that distinguishes jets originating from various quarks or gluons. Our results indicate that BBT-Neutron achieves comparable performance to state-of-the-art task-specific JoI models. Furthermore, we examine the scaling behavior of BBT-Neutron's performance with increasing data volume, suggesting the potential for BBT-Neutron to serve as a foundational model for particle physics data analysis, with possible extensions to a broad spectrum of scientific computing applications for Big Science experiments, industrial manufacturing and spacial computing. The project code is available at https://github.com/supersymmetry-technologies/bbt-neutron.
URLs: https://github.com/supersymmetry-technologies/bbt-neutron.
Authors: H. \c{C}a\u{g}r{\i} Bilgi, Lydia Y. Chen, Kubilay Atasu
Abstract: Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs, compute node representations by combining all connected edges at once, without distinguishing between edges from different neighbors. There are some GNN architectures proposed specifically for multigraphs, yet these architectures perform only node-level aggregation in their message passing layers, which limits their expressive power. Furthermore, these approaches either lack permutation equivariance when a strict total edge ordering is absent, or fail to preserve the topological structure of the multigraph. To address all these shortcomings, we propose MEGA-GNN, a unified framework for message passing on multigraphs that can effectively perform diverse graph learning tasks. Our approach introduces a two-stage aggregation process in the message passing layers: first, parallel edges are aggregated, followed by a node-level aggregation of messages from distinct neighbors. We show that MEGA-GNN is not only permutation equivariant but also universal given a strict total ordering on the edges. Experiments show that MEGA-GNN significantly outperforms state-of-the-art solutions by up to 13\% on Anti-Money Laundering datasets and is on par with their accuracy on real-world phishing classification datasets in terms of minority class F1 score.
Authors: Arnav Kharbanda, Advait Chandorkar
Abstract: Ensemble learning has proven effective in improving predictive performance and estimating uncertainty in neural networks. However, conventional ensemble methods often suffer from redundant parameter usage and computational inefficiencies due to entirely independent network training. To address these challenges, we propose the Divergent Ensemble Network (DEN), a novel architecture that combines shared representation learning with independent branching. DEN employs a shared input layer to capture common features across all branches, followed by divergent, independently trainable layers that form an ensemble. This shared-to-branching structure reduces parameter redundancy while maintaining ensemble diversity, enabling efficient and scalable learning.
Authors: Alex Havrilla, Andrew Dai, Laura O'Mahony, Koen Oostermeijer, Vera Zisler, Alon Albalak, Fabrizio Milo, Sharath Chandra Raparthy, Kanishk Gandhi, Baber Abbasi, Duy Phung, Maia Iyer, Dakota Mahan, Chase Blagden, Srishti Gureja, Mohammed Hamdy, Wen-Ding Li, Giovanni Paolini, Pawan Sasanka Ammanamanchi, Elliot Meyerson
Abstract: Synthetic data generation with Large Language Models is a promising paradigm for augmenting natural data over a nearly infinite range of tasks. Given this variety, direct comparisons among synthetic data generation algorithms are scarce, making it difficult to understand where improvement comes from and what bottlenecks exist. We propose to evaluate algorithms via the makeup of synthetic data generated by each algorithm in terms of data quality, diversity, and complexity. We choose these three characteristics for their significance in open-ended processes and the impact each has on the capabilities of downstream models. We find quality to be essential for in-distribution model generalization, diversity to be essential for out-of-distribution generalization, and complexity to be beneficial for both. Further, we emphasize the existence of Quality-Diversity trade-offs in training data and the downstream effects on model performance. We then examine the effect of various components in the synthetic data pipeline on each data characteristic. This examination allows us to taxonomize and compare synthetic data generation algorithms through the components they utilize and the resulting effects on data QDC composition. This analysis extends into a discussion on the importance of balancing QDC in synthetic data for efficient reinforcement learning and self-improvement algorithms. Analogous to the QD trade-offs in training data, often there exist trade-offs between model output quality and output diversity which impact the composition of synthetic data. We observe that many models are currently evaluated and optimized only for output quality, thereby limiting output diversity and the potential for self-improvement. We argue that balancing these trade-offs is essential to the development of future self-improvement algorithms and highlight a number of works making progress in this direction.
Authors: Thibault Le Sellier De Chezelles, Maxime Gasse, Alexandre Drouin, Massimo Caccia, L\'eo Boisvert, Megh Thakkar, Tom Marty, Rim Assouel, Sahar Omidi Shayegan, Lawrence Keunho Jang, Xing Han L\`u, Ori Yoran, Dehan Kong, Frank F. Xu, Siva Reddy, Quentin Cappart, Graham Neubig, Ruslan Salakhutdinov, Nicolas Chapados, Alexandre Lacoste
Abstract: The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs) for web interaction tasks. Many existing benchmarks suffer from fragmentation and inconsistent evaluation methodologies, making it challenging to achieve reliable comparisons and reproducible results. BrowserGym aims to solve this by providing a unified, gym-like environment with well-defined observation and action spaces, facilitating standardized evaluation across diverse benchmarks. Combined with AgentLab, a complementary framework that aids in agent creation, testing, and analysis, BrowserGym offers flexibility for integrating new benchmarks while ensuring consistent evaluation and comprehensive experiment management. This standardized approach seeks to reduce the time and complexity of developing web agents, supporting more reliable comparisons and facilitating in-depth analysis of agent behaviors, and could result in more adaptable, capable agents, ultimately accelerating innovation in LLM-driven automation. As a supporting evidence, we conduct the first large-scale, multi-benchmark web agent experiment and compare the performance of 6 state-of-the-art LLMs across all benchmarks currently available in BrowserGym. Among other findings, our results highlight a large discrepancy between OpenAI and Anthropic's latests models, with Claude-3.5-Sonnet leading the way on almost all benchmarks, except on vision-related tasks where GPT-4o is superior. Despite these advancements, our results emphasize that building robust and efficient web agents remains a significant challenge, due to the inherent complexity of real-world web environments and the limitations of current models.
Authors: Atit Pokharel, Shashank Dahal, Pratik Sapkota, Bhupendra Bimal Chhetri
Abstract: The rapid advancements in Artificial Intelligence, specifically Machine Learning (ML) and Deep Learning (DL), have opened new prospects in medical sciences for improved diagnosis, prognosis, and treatment of severe health conditions. This paper focuses on the development of an ML model with high predictive accuracy to classify arrhythmic electrocardiogram (ECG) signals. The ECG signals datasets utilized in this study were sourced from the PhysioNet and MIT-BIH databases. The research commenced with binary classification, where an optimized Bidirectional Long Short-Term Memory (Bi-LSTM) model yielded excellent results in differentiating normal and atrial fibrillation signals. A pivotal aspect of this research was a survey among medical professionals, which not only validated the practicality of AI-based ECG classifiers but also identified areas for improvement, including accuracy and the inclusion of more arrhythmia types. These insights drove the development of an advanced Convolutional Neural Network (CNN) system capable of classifying five different types of ECG signals with better accuracy and precision. The CNN model's robust performance was ensured through rigorous stratified 5-fold cross validation. A web portal was also developed to demonstrate real-world utility, offering access to the trained model for real-time classification. This study highlights the potential applications of such models in remote health monitoring, predictive healthcare, assistive diagnostic tools, and simulated environments for educational training and interdisciplinary collaboration between data scientists and medical personnel.
Authors: Xiaoyu Luo, Qiongxiu Li
Abstract: Adversarial robustness, the ability of a model to withstand manipulated inputs that cause errors, is essential for ensuring the trustworthiness of machine learning models in real-world applications. However, previous studies have shown that enhancing adversarial robustness through adversarial training increases vulnerability to privacy attacks. While differential privacy can mitigate these attacks, it often compromises robustness against both natural and adversarial samples. Our analysis reveals that differential privacy disproportionately impacts low-risk samples, causing an unintended performance drop. To address this, we propose DeMem, which selectively targets high-risk samples, achieving a better balance between privacy protection and model robustness. DeMem is versatile and can be seamlessly integrated into various adversarial training techniques. Extensive evaluations across multiple training methods and datasets demonstrate that DeMem significantly reduces privacy leakage while maintaining robustness against both natural and adversarial samples. These results confirm DeMem's effectiveness and broad applicability in enhancing privacy without compromising robustness.
Authors: Xinyu Yang, Jixuan Leng, Geyang Guo, Jiawei Zhao, Ryumei Nakada, Linjun Zhang, Huaxiu Yao, Beidi Chen
Abstract: Current PEFT methods for LLMs can achieve either high quality, efficient training, or scalable serving, but not all three simultaneously. To address this limitation, we investigate sparse fine-tuning and observe a remarkable improvement in generalization ability. Utilizing this key insight, we propose a family of Structured Sparse Fine-Tuning (S$^{2}$FT) methods for LLMs, which concurrently achieve state-of-the-art fine-tuning performance, training efficiency, and inference scalability. S$^{2}$FT accomplishes this by "selecting sparsely and computing densely". It selects a few heads and channels in the MHA and FFN modules for each Transformer block, respectively. Next, it co-permutes weight matrices on both sides of the coupled structures in LLMs to connect the selected components in each layer into a dense submatrix. Finally, S$^{2}$FT performs in-place gradient updates on all submatrices. Through theoretical analysis and empirical results, our method prevents overfitting and forgetting, delivers SOTA performance on both commonsense and arithmetic reasoning with 4.6% and 1.3% average improvements compared to LoRA, and surpasses full FT by 11.5% when generalizing to various domains after instruction tuning. Using our partial backpropagation algorithm, S$^{2}$FT saves training memory up to 3$\times$ and improves latency by 1.5-2.7$\times$ compared to full FT, while delivering an average 10% improvement over LoRA on both metrics. We further demonstrate that the weight updates in S$^{2}$FT can be decoupled into adapters, enabling effective fusion, fast switch, and efficient parallelism for serving multiple fine-tuned models.
Authors: Junhe Zhang, Wanli Ni, Dongyu Wang
Abstract: As a paradigm of distributed machine learning, federated learning typically requires all edge devices to train a complete model locally. However, with the increasing scale of artificial intelligence models, the limited resources on edge devices often become a bottleneck for efficient fine-tuning. To address this challenge, federated split learning (FedSL) implements collaborative training across the edge devices and the server through model splitting. In this paper, we propose a lightweight FedSL scheme, that further alleviates the training burden on resource-constrained edge devices by pruning the client-side model dynamicly and using quantized gradient updates to reduce computation overhead. Additionally, we apply random dropout to the activation values at the split layer to reduce communication overhead. We conduct theoretical analysis to quantify the convergence performance of the proposed scheme. Finally, simulation results verify the effectiveness and advantages of the proposed lightweight FedSL in wireless network environments.
Authors: Binrui Shen, Qiang Niu, Shengxin Zhu
Abstract: Graph matching aims to find correspondences between two graphs. This paper integrates several well-known graph matching algorithms into a framework: the constrained gradient method. The primary difference among these algorithms lies in tuning a step size parameter and constraining operators. By leveraging these insights, we propose an adaptive step size parameter to guarantee the underlying algorithms' convergence, simultaneously enhancing their efficiency and robustness. For the constraining operator, we introduce a scalable softassign for large graph matching problems. Compared to the original softassign, our approach offers increased speed, improved robustness, and reduced risk of overflow. The advanced constraining operator enables a CSGO for large graph matching, which outperforms state-of-the-art methods in experiments. Notably, in attributed graph matching tasks, CSGO achieves an over 10X increase in speed compared to current constrained gradient algorithms.
Authors: Vasilis Belis, Kinga Anna Wo\'zniak, Ema Puljak, Panagiotis Barkoutsos, G\"unther Dissertori, Michele Grossi, Maurizio Pierini, Florentin Reiter, Ivano Tavernelli, Sofia Vallecorsa
Abstract: The ongoing quest to discover new phenomena at the LHC necessitates the continuous development of algorithms and technologies. Established approaches like machine learning, along with emerging technologies such as quantum computing show promise in the enhancement of experimental capabilities. In this work, we propose a strategy for anomaly detection tasks at the LHC based on unsupervised quantum machine learning, and demonstrate its effectiveness in identifying new phenomena. The designed quantum models, an unsupervised kernel machine and two clustering algorithms, are trained to detect new-physics events using a latent representation of LHC data, generated by an autoencoder designed to accommodate current quantum hardware limitations on problem size. For kernel-based anomaly detection, we implement an instance of the model on a quantum computer, and we identify a regime where it significantly outperforms its classical counterparts. We show that the observed performance enhancement is related to the quantum resources utilised by the model.
Authors: Chunqiu Steven Xia, Yifeng Ding, Lingming Zhang
Abstract: Automated Program Repair (APR) aspires to automatically generate patches for an input buggy program. Traditional APR tools typically focus on specific bug types and fixes through the use of templates, heuristics, and formal specifications. However, these techniques are limited in terms of the bug types and patch variety they can produce. As such, researchers have designed various learning-based APR tools with recent work focused on directly using Large Language Models (LLMs) for APR. While LLM-based APR tools are able to achieve state-of-the-art performance on many repair datasets, the LLMs used for direct repair are not fully aware of the project-specific information such as unique variable or method names. The plastic surgery hypothesis is a well-known insight for APR, which states that the code ingredients to fix the bug usually already exist within the same project. Traditional APR tools have largely leveraged the plastic surgery hypothesis by designing manual or heuristic-based approaches to exploit such existing code ingredients. However, as recent APR research starts focusing on LLM-based approaches, the plastic surgery hypothesis has been largely ignored. In this paper, we ask the following question: How useful is the plastic surgery hypothesis in the era of LLMs? Interestingly, LLM-based APR presents a unique opportunity to fully automate the plastic surgery hypothesis via fine-tuning and prompting. To this end, we propose FitRepair, which combines the direct usage of LLMs with two domain-specific fine-tuning strategies and one prompting strategy for more powerful APR. Our experiments on the widely studied Defects4j 1.2 and 2.0 datasets show that FitRepair fixes 89 and 44 bugs (substantially outperforming the best-performing baseline by 15 and 8), respectively, demonstrating a promising future of the plastic surgery hypothesis in the era of LLMs.
Authors: Chunqiu Steven Xia, Lingming Zhang
Abstract: Automated Program Repair (APR) aims to automatically generate patches for buggy programs. Recent APR work has been focused on leveraging modern Large Language Models (LLMs) to directly generate patches for APR. Such LLM-based APR tools work by first constructing an input prompt built using the original buggy code and then queries the LLM to generate patches. While the LLM-based APR tools are able to achieve state-of-the-art results, it still follows the classic Generate and Validate repair paradigm of first generating lots of patches and then validating each one afterwards. This not only leads to many repeated patches that are incorrect but also miss the crucial information in test failures as well as in plausible patches. To address these limitations, we propose ChatRepair, the first fully automated conversation-driven APR approach that interleaves patch generation with instant feedback to perform APR in a conversational style. ChatRepair first feeds the LLM with relevant test failure information to start with, and then learns from both failures and successes of earlier patching attempts of the same bug for more powerful APR. For earlier patches that failed to pass all tests, we combine the incorrect patches with their corresponding relevant test failure information to construct a new prompt for the LLM to generate the next patch. In this way, we can avoid making the same mistakes. For earlier patches that passed all the tests, we further ask the LLM to generate alternative variations of the original plausible patches. In this way, we can further build on and learn from earlier successes to generate more plausible patches to increase the chance of having correct patches. While our approach is general, we implement ChatRepair using state-of-the-art dialogue-based LLM -- ChatGPT. By calculating the cost of accessing ChatGPT, we can fix 162 out of 337 bugs for \$0.42 each!
Authors: Dongqi Liu, Yifan Wang, Vera Demberg
Abstract: For text summarization, the role of discourse structure is pivotal in discerning the core content of a text. Regrettably, prior studies on incorporating Rhetorical Structure Theory (RST) into transformer-based summarization models only consider the nuclearity annotation, thereby overlooking the variety of discourse relation types. This paper introduces the 'RSTformer', a novel summarization model that comprehensively incorporates both the types and uncertainty of rhetorical relations. Our RST-attention mechanism, rooted in document-level rhetorical structure, is an extension of the recently devised Longformer framework. Through rigorous evaluation, the model proposed herein exhibits significant superiority over state-of-the-art models, as evidenced by its notable performance on several automatic metrics and human evaluation.
Authors: Dongqi Liu, Vera Demberg
Abstract: Large-scale language models, like ChatGPT, have garnered significant media attention and stunned the public with their remarkable capacity for generating coherent text from short natural language prompts. In this paper, we aim to conduct a systematic inspection of ChatGPT's performance in two controllable generation tasks, with respect to ChatGPT's ability to adapt its output to different target audiences (expert vs. layman) and writing styles (formal vs. informal). Additionally, we evaluate the faithfulness of the generated text, and compare the model's performance with human-authored texts. Our findings indicate that the stylistic variations produced by humans are considerably larger than those demonstrated by ChatGPT, and the generated texts diverge from human samples in several characteristics, such as the distribution of word types. Moreover, we observe that ChatGPT sometimes incorporates factual errors or hallucinations when adapting the text to suit a specific style.
Authors: Chunqiu Steven Xia, Matteo Paltenghi, Jia Le Tian, Michael Pradel, Lingming Zhang
Abstract: Fuzzing has achieved tremendous success in discovering bugs and vulnerabilities in various software systems. Systems under test (SUTs) that take in programming or formal language as inputs, e.g., compilers, runtime engines, constraint solvers, and software libraries with accessible APIs, are especially important as they are fundamental building blocks of software development. However, existing fuzzers for such systems often target a specific language, and thus cannot be easily applied to other languages or even other versions of the same language. Moreover, the inputs generated by existing fuzzers are often limited to specific features of the input language, and thus can hardly reveal bugs related to other or new features. This paper presents Fuzz4All, the first fuzzer that is universal in the sense that it can target many different input languages and many different features of these languages. The key idea behind Fuzz4All is to leverage large language models (LLMs) as an input generation and mutation engine, which enables the approach to produce diverse and realistic inputs for any practically relevant language. To realize this potential, we present a novel autoprompting technique, which creates LLM prompts that are wellsuited for fuzzing, and a novel LLM-powered fuzzing loop, which iteratively updates the prompt to create new fuzzing inputs. We evaluate Fuzz4All on nine systems under test that take in six different languages (C, C++, Go, SMT2, Java and Python) as inputs. The evaluation shows, across all six languages, that universal fuzzing achieves higher coverage than existing, language-specific fuzzers. Furthermore, Fuzz4All has identified 98 bugs in widely used systems, such as GCC, Clang, Z3, CVC5, OpenJDK, and the Qiskit quantum computing platform, with 64 bugs already confirmed by developers as previously unknown.
Authors: Jake Chanenson, Madison Pickering, Noah Apthorpe
Abstract: Identifying contextual integrity (CI) and governing knowledge commons (GKC) parameters in privacy policy texts can facilitate normative privacy analysis. However, GKC-CI annotation has heretofore required manual or crowdsourced effort. This paper demonstrates that high-accuracy GKC-CI parameter annotation of privacy policies can be performed automatically using large language models. We fine-tune 50 open-source and proprietary models on 21,588 ground truth GKC-CI annotations from 16 privacy policies. Our best performing model has an accuracy of 90.65%, which is comparable to the accuracy of experts on the same task. We apply our best performing model to 456 privacy policies from a variety of online services, demonstrating the effectiveness of scaling GKC-CI annotation for privacy policy exploration and analysis. We publicly release our model training code, training and testing data, an annotation visualizer, and all annotated policies for future GKC-CI research.
Authors: Ricardo Ferreira, Cl\'audia Soares, Marta Guimar\~aes
Abstract: The proliferation of space debris in LEO has become a major concern for the space industry. With the growing interest in space exploration, the prediction of potential collisions between objects in orbit has become a crucial issue. It is estimated that, in orbit, there are millions of fragments a few millimeters in size and thousands of inoperative satellites and discarded rocket stages. Given the high speeds that these fragments can reach, even fragments a few millimeters in size can cause fractures in a satellite's hull or put a serious crack in the window of a space shuttle. The conventional method proposed by Akella and Alfriend in 2000 remains widely used to estimate the probability of collision in short-term encounters. Given the small period of time, it is assumed that, during the encounter: (1) trajectories are represented by straight lines with constant velocity; (2) there is no velocity uncertainty and the position exhibits a stationary distribution throughout the encounter; and (3) position uncertainties are independent and represented by Gaussian distributions. This study introduces a novel derivation based on first principles that naturally allows for tight and fast upper and lower bounds for the probability of collision. We tested implementations of both probability and bound computations with the original and our formulation on a real CDM dataset used in ESA's Collision Avoidance Challenge. Our approach reduces the calculation of the probability to two one-dimensional integrals and has the potential to significantly reduce the processing time compared to the traditional method, from 80% to nearly real-time.
Authors: Bach Do, Ruda Zhang
Abstract: Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.
Authors: Nuoyan Zhou, Dawei Zhou, Decheng Liu, Nannan Wang, Xinbo Gao
Abstract: Adversarial fine-tuning methods enhance adversarial robustness via fine-tuning the pre-trained model in an adversarial training manner. However, we identify that some specific latent features of adversarial samples are confused by adversarial perturbation and lead to an unexpectedly increasing gap between features in the last hidden layer of natural and adversarial samples. To address this issue, we propose a disentanglement-based approach to explicitly model and further remove the specific latent features. We introduce a feature disentangler to separate out the specific latent features from the features of the adversarial samples, thereby boosting robustness by eliminating the specific latent features. Besides, we align clean features in the pre-trained model with features of adversarial samples in the fine-tuned model, to benefit from the intrinsic features of natural samples. Empirical evaluations on three benchmark datasets demonstrate that our approach surpasses existing adversarial fine-tuning methods and adversarial training baselines.
Authors: Vasilis Belis, Patrick Odagiu, Michele Grossi, Florentin Reiter, G\"unther Dissertori, Sofia Vallecorsa
Abstract: Quantum machine learning provides a fundamentally different approach to analyzing data. However, many interesting datasets are too complex for currently available quantum computers. Present quantum machine learning applications usually diminish this complexity by reducing the dimensionality of the data, e.g., via auto-encoders, before passing it through the quantum models. Here, we design a classical-quantum paradigm that unifies the dimensionality reduction task with a quantum classification model into a single architecture: the guided quantum compression model. We exemplify how this architecture outperforms conventional quantum machine learning approaches on a challenging binary classification problem: identifying the Higgs boson in proton-proton collisions at the LHC. Furthermore, the guided quantum compression model shows better performance compared to the deep learning benchmark when using solely the kinematic variables in our dataset.
Authors: Asad Aali, Dave Van Veen, Yamin Ishraq Arefeen, Jason Hom, Christian Bluethgen, Eduardo Pontes Reis, Sergios Gatidis, Namuun Clifford, Joseph Daws, Arash S. Tehrani, Jangwon Kim, Akshay S. Chaudhari
Abstract: Brief hospital course (BHC) summaries are clinical documents that summarize a patient's hospital stay. While large language models (LLMs) depict remarkable capabilities in automating real-world tasks, their capabilities for healthcare applications such as synthesizing BHCs from clinical notes have not been shown. We introduce a novel pre-processed dataset, the MIMIC-IV-BHC, encapsulating clinical note and brief hospital course (BHC) pairs to adapt LLMs for BHC synthesis. Furthermore, we introduce a benchmark of the summarization performance of two general-purpose LLMs and three healthcare-adapted LLMs. Using clinical notes as input, we apply prompting-based (using in-context learning) and fine-tuning-based adaptation strategies to three open-source LLMs (Clinical-T5-Large, Llama2-13B, FLAN-UL2) and two proprietary LLMs (GPT-3.5, GPT-4). We evaluate these LLMs across multiple context-length inputs using natural language similarity metrics. We further conduct a clinical study with five clinicians, comparing clinician-written and LLM-generated BHCs across 30 samples, focusing on their potential to enhance clinical decision-making through improved summary quality. We observe that the Llama2-13B fine-tuned LLM outperforms other domain-adapted models given quantitative evaluation metrics of BLEU and BERT-Score. GPT-4 with in-context learning shows more robustness to increasing context lengths of clinical note inputs than fine-tuned Llama2-13B. Despite comparable quantitative metrics, the reader study depicts a significant preference for summaries generated by GPT-4 with in-context learning compared to both Llama2-13B fine-tuned summaries and the original summaries, highlighting the need for qualitative clinical evaluation.
Authors: Han Ji, Xiping Wu
Abstract: Hybrid light fidelity (LiFi) and wireless fidelity (WiFi) networks (HLWNets) are an emerging indoor wireless communication paradigm, which combines the advantages of the capacious optical spectra of LiFi and ubiquitous coverage of WiFi. Meanwhile, load balancing (LB) becomes a key challenge in resource management for such hybrid networks. The existing LB methods are mostly network-centric, relying on a central unit to make a solution for the users all at once. Consequently, the solution needs to be updated for all users at the same pace, regardless of their moving status. This would affect the network performance in two aspects: i) when the update frequency is low, it would compromise the connectivity of fast-moving users; ii) when the update frequency is high, it would cause unnecessary handovers as well as hefty feedback costs for slow-moving users. Motivated by this, we investigate user-centric LB which allows users to update their solutions at different paces. The research is developed upon our previous work on adaptive target-condition neural network (ATCNN), which can conduct LB for individual users in quasi-static channels. In this paper, a deep neural network (DNN) model is designed to enable an adaptive update interval for each individual user. This new model is termed as mobility-supporting neural network (MSNN). Associating MSNN with ATCNN, a user-centric LB framework named mobility-supporting ATCNN (MS-ATCNN) is proposed to handle resource management and mobility management simultaneously. Results show that at the same level of average update interval, MS-ATCNN can achieve a network throughput up to 215\% higher than conventional LB methods such as game theory, especially for a larger number of users. In addition, MS-ATCNN costs an ultra low runtime at the level of 100s $\mu$s, which is two to three orders of magnitude lower than game theory.
Authors: Dongqi Liu, Yifan Wang, Jia Loy, Vera Demberg
Abstract: Scientific news reports serve as a bridge, adeptly translating complex research articles into reports that resonate with the broader public. The automated generation of such narratives enhances the accessibility of scholarly insights. In this paper, we present a new corpus to facilitate this paradigm development. Our corpus comprises a parallel compilation of academic publications and their corresponding scientific news reports across nine disciplines. To demonstrate the utility and reliability of our dataset, we conduct an extensive analysis, highlighting the divergences in readability and brevity between scientific news narratives and academic manuscripts. We benchmark our dataset employing state-of-the-art text generation models. The evaluation process involves both automatic and human evaluation, which lays the groundwork for future explorations into the automated generation of scientific news reports. The dataset and code related to this work are available at https://dongqi.me/projects/SciNews.
Authors: Kangfu Mei, Zhengzhong Tu, Mauricio Delbracio, Hossein Talebi, Vishal M. Patel, Peyman Milanfar
Abstract: We study the scaling properties of latent diffusion models (LDMs) with an emphasis on their sampling efficiency. While improved network architecture and inference algorithms have shown to effectively boost sampling efficiency of diffusion models, the role of model size -- a critical determinant of sampling efficiency -- has not been thoroughly examined. Through empirical analysis of established text-to-image diffusion models, we conduct an in-depth investigation into how model size influences sampling efficiency across varying sampling steps. Our findings unveil a surprising trend: when operating under a given inference budget, smaller models frequently outperform their larger equivalents in generating high-quality results. Moreover, we extend our study to demonstrate the generalizability of the these findings by applying various diffusion samplers, exploring diverse downstream tasks, evaluating post-distilled models, as well as comparing performance relative to training compute. These findings open up new pathways for the development of LDM scaling strategies which can be employed to enhance generative capabilities within limited inference budgets.
Authors: Ye Tian, Baolin Peng, Linfeng Song, Lifeng Jin, Dian Yu, Haitao Mi, Dong Yu
Abstract: Despite the impressive capabilities of Large Language Models (LLMs) on various tasks, they still struggle with scenarios that involves complex reasoning and planning. Recent work proposed advanced prompting techniques and the necessity of fine-tuning with high-quality data to augment LLMs' reasoning abilities. However, these approaches are inherently constrained by data availability and quality. In light of this, self-correction and self-learning emerge as viable solutions, employing strategies that allow LLMs to refine their outputs and learn from self-assessed rewards. Yet, the efficacy of LLMs in self-refining its response, particularly in complex reasoning and planning task, remains dubious. In this paper, we introduce AlphaLLM for the self-improvements of LLMs, which integrates Monte Carlo Tree Search (MCTS) with LLMs to establish a self-improving loop, thereby enhancing the capabilities of LLMs without additional annotations. Drawing inspiration from the success of AlphaGo, AlphaLLM addresses the unique challenges of combining MCTS with LLM for self-improvement, including data scarcity, the vastness search spaces of language tasks, and the subjective nature of feedback in language tasks. AlphaLLM is comprised of prompt synthesis component, an efficient MCTS approach tailored for language tasks, and a trio of critic models for precise feedback. Our experimental results in mathematical reasoning tasks demonstrate that AlphaLLM significantly enhances the performance of LLMs without additional annotations, showing the potential for self-improvement in LLMs.
Authors: Jing Cheng, Ruigang Wang, Ian R. Manchester
Abstract: In this paper, we introduce a novel class of neural differential equation, which are intrinsically Lyapunov stable, exponentially stable or passive. We take a recently proposed Polyak Lojasiewicz network (PLNet) as an Lyapunov function and then parameterize the vector field as the descent directions of the Lyapunov function. The resulting models have a same structure as the general Hamiltonian dynamics, where the Hamiltonian is lower- and upper-bounded by quadratic functions. Moreover, it is also positive definite w.r.t. either a known or learnable equilibrium. We illustrate the effectiveness of the proposed model on a damped double pendulum system.
Authors: Dongqi Liu, Vera Demberg
Abstract: For long document summarization, discourse structure is important to discern the key content of the text and the differences in importance level between sentences. Unfortunately, the integration of rhetorical structure theory (RST) into parameter-efficient fine-tuning strategies for long document summarization remains unexplored. Therefore, this paper introduces RST-LoRA and proposes four RST-aware variants to explicitly incorporate RST into the LoRA model. Our empirical evaluation demonstrates that incorporating the type and uncertainty of rhetorical relations can complementarily enhance the performance of LoRA in summarization tasks. Furthermore, the best-performing variant we introduced outperforms the vanilla LoRA and full-parameter fine-tuning models, as confirmed by multiple automatic and human evaluations, and even surpasses previous state-of-the-art methods.
Authors: Zhicheng Sun, Zhenhao Yang, Yang Jin, Haozhe Chi, Kun Xu, Kun Xu, Liwei Chen, Hao Jiang, Yang Song, Kun Gai, Yadong Mu
Abstract: Customizing diffusion models to generate identity-preserving images from user-provided reference images is an intriguing new problem. The prevalent approaches typically require training on extensive domain-specific images to achieve identity preservation, which lacks flexibility across different use cases. To address this issue, we exploit classifier guidance, a training-free technique that steers diffusion models using an existing classifier, for personalized image generation. Our study shows that based on a recent rectified flow framework, the major limitation of vanilla classifier guidance in requiring a special classifier can be resolved with a simple fixed-point solution, allowing flexible personalization with off-the-shelf image discriminators. Moreover, its solving procedure proves to be stable when anchored to a reference flow trajectory, with a convergence guarantee. The derived method is implemented on rectified flow with different off-the-shelf image discriminators, delivering advantageous personalization results for human faces, live subjects, and certain objects. Code is available at https://github.com/feifeiobama/RectifID.
Authors: Reid McIlroy-Young, Katrina Brown, Conlan Olson, Linjun Zhang, Cynthia Dwork
Abstract: The development of generative language models that can create long and coherent textual outputs via autoregression has lead to a proliferation of uses and a corresponding sweep of analyses as researches work to determine the limitations of this new paradigm. Unlike humans, these 'Large Language Models' (LLMs) are highly sensitive to small changes in their inputs, leading to unwanted inconsistency in their behavior. One problematic inconsistency when LLMs are used to answer multiple-choice questions or analyze multiple inputs is order dependency: the output of an LLM can (and often does) change significantly when sub-sequences are swapped, despite both orderings being semantically identical. In this paper we present Set-Based Prompting, a technique that guarantees the output of an LLM will not have order dependence on a specified set of sub-sequences. We show that this method provably eliminates order dependency, and that it can be applied to any transformer-based LLM to enable text generation that is unaffected by re-orderings. Delving into the implications of our method, we show that, despite our inputs being out of distribution, the impact on expected accuracy is small, where the expectation is over the order of uniformly chosen shuffling of the candidate responses, and usually significantly less in practice. Thus, Set-Based Prompting can be used as a 'dropped-in' method on fully trained models. Finally, we discuss how our method's success suggests that other strong guarantees can be obtained on LLM performance via modifying the input representations.
Authors: Lechen Feng, Yuan-Hua Ni, Xuebo Zhang
Abstract: A $\mathcal{H}_2$-guaranteed sparse-feedback linear-quadratic (LQ) optimal control with convex parameterization and convex-bounded uncertainty is studied in this paper, where $\ell_0$-penalty is added into the $\mathcal{H}_2$ cost to penalize the number of communication links among distributed controllers. Then, the sparse-feedback gain is investigated to minimize the modified $\mathcal{H}_2$ cost together with the stability guarantee, and the corresponding main results are of three parts. First, the $\ell_1$ relaxation sparse-feedback LQ problem is of concern, and a two-timescale algorithm is developed based on proximal coordinate descent and primal-dual splitting approach. Second, piecewise quadratic relaxation sparse-feedback LQ control is investigated, which exhibits an accelerated convergence rate. Third, sparse-feedback LQ problem with $\ell_0$-penalty is directly studied through BSUM (Block Successive Upper-bound Minimization) framework, and precise approximation method and variational properties are introduced.
Authors: Yamin Arefeen, Brett Levac, Zach Stoebner, Jonathan Tamir
Abstract: Implicit Neural Representations (INRs) are a learning-based approach to accelerate Magnetic Resonance Imaging (MRI) acquisitions, particularly in scan-specific settings when only data from the under-sampled scan itself are available. Previous work demonstrates that INRs improve rapid MRI through inherent regularization imposed by neural network architectures. Typically parameterized by fully-connected neural networks, INRs support continuous image representations by taking a physical coordinate location as input and outputting the intensity at that coordinate. Previous work has applied unlearned regularization priors during INR training and have been limited to 2D or low-resolution 3D acquisitions. Meanwhile, diffusion based generative models have received recent attention as they learn powerful image priors decoupled from the measurement model. This work proposes INFusion, a technique that regularizes the optimization of INRs from under-sampled MR measurements with pre-trained diffusion models for improved image reconstruction. In addition, we propose a hybrid 3D approach with our diffusion regularization that enables INR application on large-scale 3D MR datasets. 2D experiments demonstrate improved INR training with our proposed diffusion regularization, and 3D experiments demonstrate feasibility of INR training with diffusion regularization on 3D matrix sizes of 256 by 256 by 80.
Authors: Jiale Cheng, Yida Lu, Xiaotao Gu, Pei Ke, Xiao Liu, Yuxiao Dong, Hongning Wang, Jie Tang, Minlie Huang
Abstract: Although Large Language Models (LLMs) are becoming increasingly powerful, they still exhibit significant but subtle weaknesses, such as mistakes in instruction-following or coding tasks. As these unexpected errors could lead to severe consequences in practical deployments, it is crucial to investigate the limitations within LLMs systematically. Traditional benchmarking approaches cannot thoroughly pinpoint specific model deficiencies, while manual inspections are costly and not scalable. In this paper, we introduce a unified framework, AutoDetect, to automatically expose weaknesses in LLMs across various tasks. Inspired by the educational assessment process that measures students' learning outcomes, AutoDetect consists of three LLM-powered agents: Examiner, Questioner, and Assessor. The collaboration among these three agents is designed to realize comprehensive and in-depth weakness identification. Our framework demonstrates significant success in uncovering flaws, with an identification success rate exceeding 30% in prominent models such as ChatGPT and Claude. More importantly, these identified weaknesses can guide specific model improvements, proving more effective than untargeted data augmentation methods like Self-Instruct. Our approach has led to substantial enhancements in popular LLMs, including the Llama series and Mistral-7b, boosting their performance by over 10% across several benchmarks. Code and data are publicly available at https://github.com/thu-coai/AutoDetect.
Authors: Elisabeta-Iulia Dima, Pablo G\'omez, Sandor Kruk, Peter Kretschmar, Simon Rosen, C\u{a}lin-Adrian Popa
Abstract: Reflected or scattered light produce artefacts in astronomical observations that can negatively impact the scientific study. Hence, automated detection of these artefacts is highly beneficial, especially with the increasing amounts of data gathered. Machine learning methods are well-suited to this problem, but currently there is a lack of annotated data to train such approaches to detect artefacts in astronomical observations. In this work, we present a dataset of images from the XMM-Newton space telescope Optical Monitoring camera showing different types of artefacts. We hand-annotated a sample of 1000 images with artefacts which we use to train automated ML methods. We further demonstrate techniques tailored for accurate detection and masking of artefacts using instance segmentation. We adopt a hybrid approach, combining knowledge from both convolutional neural networks (CNNs) and transformer-based models and use their advantages in segmentation. The presented method and dataset will advance artefact detection in astronomical observations by providing a reproducible baseline. All code and data are made available (https://github.com/ESA-Datalabs/XAMI-model and https://github.com/ESA-Datalabs/XAMI-dataset).
URLs: https://github.com/ESA-Datalabs/XAMI-model, https://github.com/ESA-Datalabs/XAMI-dataset).
Authors: Zhiwei Li, Guodong Long, Tianyi Zhou, Jing Jiang, Chengqi Zhang
Abstract: Federated Collaborative Filtering (FedCF) is an emerging field focused on developing a new recommendation framework with preserving privacy in a federated setting. Existing FedCF methods typically combine distributed Collaborative Filtering (CF) algorithms with privacy-preserving mechanisms, and then preserve personalized information into a user embedding vector. However, the user embedding is usually insufficient to preserve the rich information of the fine-grained personalization across heterogeneous clients. This paper proposes a novel personalized FedCF method by preserving users' personalized information into a latent variable and a neural model simultaneously. Specifically, we decompose the modeling of user knowledge into two encoders, each designed to capture shared knowledge and personalized knowledge separately. A personalized gating network is then applied to balance personalization and generalization between the global and local encoders. Moreover, to effectively train the proposed framework, we model the CF problem as a specialized Variational AutoEncoder (VAE) task by integrating user interaction vector reconstruction with missing value prediction. The decoder is trained to reconstruct the implicit feedback from items the user has interacted with, while also predicting items the user might be interested in but has not yet interacted with. Experimental results on benchmark datasets demonstrate that the proposed method outperforms other baseline methods, showcasing superior performance. Our code is available at https://github.com/mtics/FedDAE.
Authors: Allen Z. Ren, Justin Lidard, Lars L. Ankile, Anthony Simeonov, Pulkit Agrawal, Anirudha Majumdar, Benjamin Burchfiel, Hongkai Dai, Max Simchowitz
Abstract: We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io
Authors: Taejin Park, Ivan Medennikov, Kunal Dhawan, Weiqing Wang, He Huang, Nithin Rao Koluguri, Krishna C. Puvvada, Jagadeesh Balam, Boris Ginsburg
Abstract: We propose Sortformer, a novel neural model for speaker diarization, trained with unconventional objectives compared to existing end-to-end diarization models. The permutation problem in speaker diarization has long been regarded as a critical challenge. Most prior end-to-end diarization systems employ permutation invariant loss (PIL), which optimizes for the permutation that yields the lowest error. In contrast, we introduce Sort Loss, which enables a diarization model to autonomously resolve permutation, with or without PIL. We demonstrate that combining Sort Loss and PIL achieves performance competitive with state-of-the-art end-to-end diarization models trained exclusively with PIL. Crucially, we present a streamlined multispeaker ASR architecture that leverages Sortformer as a speaker supervision model, embedding speaker label estimation within the ASR encoder state using a sinusoidal kernel function. This approach resolves the speaker permutation problem through sorted objectives, effectively bridging speaker-label timestamps and speaker tokens. In our experiments, we show that the proposed multispeaker ASR architecture, enhanced with speaker supervision, improves performance via adapter techniques. Code and trained models will be made publicly available via the NVIDIA NeMo framework.
Authors: Nicholas Kr\"amer
Abstract: Automatic differentiation is everywhere, but there exists only minimal documentation of how it works in complex arithmetic beyond stating "derivatives in $\mathbb{C}^d$" $\cong$ "derivatives in $\mathbb{R}^{2d}$" and, at best, shallow references to Wirtinger calculus. Unfortunately, the equivalence $\mathbb{C}^d \cong \mathbb{R}^{2d}$ becomes insufficient as soon as we need to derive custom gradient rules, e.g., to avoid differentiating "through" expensive linear algebra functions or differential equation simulators. To combat such a lack of documentation, this article surveys forward- and reverse-mode automatic differentiation with complex numbers, covering topics such as Wirtinger derivatives, a modified chain rule, and different gradient conventions while explicitly avoiding holomorphicity and the Cauchy--Riemann equations (which would be far too restrictive). To be precise, we will derive, explain, and implement a complex version of Jacobian-vector and vector-Jacobian products almost entirely with linear algebra without relying on complex analysis or differential geometry. This tutorial is a call to action, for users and developers alike, to take complex values seriously when implementing custom gradient propagation rules -- the manuscript explains how.
Authors: Stefan Smeu, Elisabeta Oneata, Dan Oneata
Abstract: Generative models can create entirely new images, but they can also partially modify real images in ways that are undetectable to the human eye. In this paper, we address the challenge of automatically detecting such local manipulations. One of the most pressing problems in deepfake detection remains the ability of models to generalize to different classes of generators. In the case of fully manipulated images, representations extracted from large self-supervised models (such as CLIP) provide a promising direction towards more robust detectors. Here, we introduce DeCLIP, a first attempt to leverage such large pretrained features for detecting local manipulations. We show that, when combined with a reasonably large convolutional decoder, pretrained self-supervised representations are able to perform localization and improve generalization capabilities over existing methods. Unlike previous work, our approach is able to perform localization on the challenging case of latent diffusion models, where the entire image is affected by the fingerprint of the generator. Moreover, we observe that this type of data, which combines local semantic information with a global fingerprint, provides more stable generalization than other categories of generative methods.
Authors: Neelabh Sinha, Vinija Jain, Aman Chadha
Abstract: Visual Question-Answering (VQA) has become key to user experience, particularly after improved generalization capabilities of Vision-Language Models (VLMs). But evaluating VLMs for an application requirement using a standardized framework in practical settings is still challenging. This paper aims to solve that using an end-to-end framework. We present VQA360 - a novel dataset derived from established VQA benchmarks, annotated with task types, application domains, and knowledge types, for a comprehensive evaluation. We also introduce GoEval, a multimodal evaluation metric developed using GPT-4o, achieving a correlation factor of 56.71% with human judgments. Our experiments with state-of-the-art VLMs reveal that no single model excels universally, thus, making a right choice a key design decision. Proprietary models such as Gemini-1.5-Pro and GPT-4o-mini generally outperform others, but open-source models like InternVL-2-8B and CogVLM-2-Llama-3-19B also demonstrate competitive strengths, while providing additional advantages. Our framework can also be extended to other tasks.
Authors: Wumei Du, Dong Liang, Yiqin Lv, Xingxing Liang, Guanlin Wu, Qi Wang, Zheng Xie
Abstract: Internet services have led to the eruption of network traffic, and machine learning on these Internet data has become an indispensable tool, especially when the application is risk-sensitive. This paper focuses on network traffic classification in the presence of severe class imbalance. Such a distributional trait mostly drifts the optimal decision boundary and results in an unsatisfactory solution. This raises safety concerns in the network traffic field when previous class imbalance methods hardly deal with numerous minority malicious classes. To alleviate these effects, we design a \textit{group \& reweight} strategy for alleviating class imbalance. Inspired by the group distributionally optimization framework, our approach heuristically clusters classes into groups, iteratively updates the non-parametric weights for separate classes, and optimizes the learning model by minimizing reweighted losses. We theoretically interpret the optimization process from a Stackelberg game and perform extensive experiments on typical benchmarks. Results show that our approach can not only suppress the negative effect of class imbalance but also improve the comprehensive performance in prediction.
Authors: Randy Ardywibowo, Rakesh Sunki, Lucy Kuo, Sankalp Nayak
Abstract: Information Retrieval (IR) systems used in search and recommendation platforms frequently employ Learning-to-Rank (LTR) models to rank items in response to user queries. These models heavily rely on features derived from user interactions, such as clicks and engagement data. This dependence introduces cold start issues for items lacking user engagement and poses challenges in adapting to non-stationary shifts in user behavior over time. We address both challenges holistically as an online learning problem and propose BayesCNS, a Bayesian approach designed to handle cold start and non-stationary distribution shifts in search systems at scale. BayesCNS achieves this by estimating prior distributions for user-item interactions, which are continuously updated with new user interactions gathered online. This online learning procedure is guided by a ranker model, enabling efficient exploration of relevant items using contextual information provided by the ranker. We successfully deployed BayesCNS in a large-scale search system and demonstrated its efficacy through comprehensive offline and online experiments. Notably, an online A/B experiment showed a 10.60% increase in new item interactions and a 1.05% improvement in overall success metrics over the existing production baseline.
Authors: Abhijith Jayakumar, Andrey Y. Lokhov, Sidhant Misra, Marc Vuffray
Abstract: Physically motivated stochastic dynamics are often used to sample from high-dimensional distributions. However such dynamics often get stuck in specific regions of their state space and mix very slowly to the desired stationary state. This causes such systems to approximately sample from a metastable distribution which is usually quite different from the desired, stationary distribution of the dynamic. We rigorously show that, in the case of multi-variable discrete distributions, the true model describing the stationary distribution can be recovered from samples produced from a metastable distribution under minimal assumptions about the system. This follows from a fundamental observation that the single-variable conditionals of metastable distributions that satisfy a strong metastability condition are on average close to those of the stationary distribution. This holds even when the metastable distribution differs considerably from the true model in terms of global metrics like Kullback-Leibler divergence or total variation distance. This property allows us to learn the true model using a conditional likelihood based estimator, even when the samples come from a metastable distribution concentrated in a small region of the state space. Explicit examples of such metastable states can be constructed from regions that effectively bottleneck the probability flow and cause poor mixing of the Markov chain. For specific cases of binary pairwise undirected graphical models (i.e. Ising models), we extend our results to further rigorously show that data coming from metastable states can be used to learn the parameters of the energy function and recover the structure of the model.
Authors: Shantanu Thorat, Tianbao Yang
Abstract: As LLMs increase in accessibility, LLM-generated texts have proliferated across several fields, such as scientific, academic, and creative writing. However, LLMs are not created equally; they may have different architectures and training datasets. Thus, some LLMs may be more challenging to detect than others. Using two datasets spanning four total writing domains, we train AI-generated (AIG) text classifiers using the LibAUC library - a deep learning library for training classifiers with imbalanced datasets. Our results in the Deepfake Text dataset show that AIG-text detection varies across domains, with scientific writing being relatively challenging. In the Rewritten Ivy Panda (RIP) dataset focusing on student essays, we find that the OpenAI family of LLMs was substantially difficult for our classifiers to distinguish from human texts. Additionally, we explore possible factors that could explain the difficulties in detecting OpenAI-generated texts.
Authors: Krishna Sayana, Raghavendra Vasudeva, Yuri Vasilevski, Kun Su, Liam Hebert, James Pine, Hubert Pham, Ambarish Jash, Sukhdeep Sodhi
Abstract: The recent advances in Large Language Model's generation and reasoning capabilities present an opportunity to develop truly conversational recommendation systems. However, effectively integrating recommender system knowledge into LLMs for natural language generation which is tailored towards recommendation tasks remains a challenge. This paper addresses this challenge by making two key contributions. First, we introduce a new dataset (REGEN) for natural language generation tasks in conversational recommendations. REGEN (Reviews Enhanced with GEnerative Narratives) extends the Amazon Product Reviews dataset with rich user narratives, including personalized explanations of product preferences, product endorsements for recommended items, and summaries of user purchase history. REGEN is made publicly available to facilitate further research. Furthermore, we establish benchmarks using well-known generative metrics, and perform an automated evaluation of the new dataset using a rater LLM. Second, the paper introduces a fusion architecture (CF model with an LLM) which serves as a baseline for REGEN. And to the best of our knowledge, represents the first attempt to analyze the capabilities of LLMs in understanding recommender signals and generating rich narratives. We demonstrate that LLMs can effectively learn from simple fusion architectures utilizing interaction-based CF embeddings, and this can be further enhanced using the metadata and personalization data associated with items. Our experiments show that combining CF and content embeddings leads to improvements of 4-12% in key language metrics compared to using either type of embedding individually. We also provide an analysis to interpret how CF and content embeddings contribute to this new generative task.
Authors: Yingzhen Yang, Ping Li
Abstract: We study nonparametric regression by an over-parameterized two-layer neural network trained by gradient descent (GD) in this paper. We show that, if the neural network is trained by GD with early stopping, then the trained network renders a sharp rate of the nonparametric regression risk of $\cO(\eps_n^2)$, which is the same rate as that for the classical kernel regression trained by GD with early stopping, where $\eps_n$ is the critical population rate of the Neural Tangent Kernel (NTK) associated with the network and $n$ is the size of the training data. It is remarked that our result does not require distributional assumptions about the covariate as long as the covariate is bounded, in a strong contrast with many existing results which rely on specific distributions of the covariates such as the spherical uniform data distribution or distributions satisfying certain restrictive conditions. The rate $\cO(\eps_n^2)$ is known to be minimax optimal for specific cases, such as the case that the NTK has a polynomial eigenvalue decay rate which happens under certain distributional assumptions on the covariates. Our result formally fills the gap between training a classical kernel regression model and training an over-parameterized but finite-width neural network by GD for nonparametric regression without distributional assumptions on the bounded covariate. We also provide confirmative answers to certain open questions or address particular concerns in the literature of training over-parameterized neural networks by GD with early stopping for nonparametric regression, including the characterization of the stopping time, the lower bound for the network width, and the constant learning rate used in GD.
Authors: Yizhe Huang, Xingbo Wang, Hao Liu, Fanqi Kong, Aoyang Qin, Min Tang, Xiaoxi Wang, Song-Chun Zhu, Mingjie Bi, Siyuan Qi, Xue Feng
Abstract: Traditional interactive environments limit agents' intelligence growth with fixed tasks. Recently, single-agent environments address this by generating new tasks based on agent actions, enhancing task diversity. We consider the decision-making problem in multi-agent settings, where tasks are further influenced by social connections, affecting rewards and information access. However, existing multi-agent environments lack a combination of adaptive physical surroundings and social connections, hindering the learning of intelligent behaviors. To address this, we introduce AdaSociety, a customizable multi-agent environment featuring expanding state and action spaces, alongside explicit and alterable social structures. As agents progress, the environment adaptively generates new tasks with social structures for agents to undertake. In AdaSociety, we develop three mini-games showcasing distinct social structures and tasks. Initial results demonstrate that specific social structures can promote both individual and collective benefits, though current reinforcement learning and LLM-based algorithms show limited effectiveness in leveraging social structures to enhance performance. Overall, AdaSociety serves as a valuable research platform for exploring intelligence in diverse physical and social settings. The code is available at https://github.com/bigai-ai/AdaSociety.
Authors: Chaymae El Jabri, Marc Frappier, Pierre-Martin Tardif
Abstract: This paper investigates the use of the ASTD language for ensemble anomaly detection in data logs. It uses a sliding window technique for continuous learning in data streams, coupled with updating learning models upon the completion of each window to maintain accurate detection and align with current data trends. It proposes ASTD patterns for combining learning models, especially in the context of unsupervised learning, which is commonly used for data streams. To facilitate this, a new ASTD operator is proposed, the Quantified Flow, which enables the seamless combination of learning models while ensuring that the specification remains concise. Our contribution is a specification pattern, highlighting the capacity of ASTDs to abstract and modularize anomaly detection systems. The ASTD language provides a unique approach to develop data flow anomaly detection systems, grounded in the combination of processes through the graphical representation of the language operators. This simplifies the design task for developers, who can focus primarily on defining the functional operations that constitute the system.
Authors: Shravan Venkatraman, Jaskaran Singh Walia, Joe Dhanith P R
Abstract: Image classification is a computer vision task where a model analyzes an image to categorize it into a specific label. Vision Transformers (ViT) improve this task by leveraging self-attention to capture complex patterns and long range relationships between image patches. However, a key challenge for ViTs is efficiently incorporating multiscale feature representations, which is inherent in CNNs through their hierarchical structure. In this paper, we introduce the Scale-Aware Graph Attention Vision Transformer (SAG-ViT), a novel framework that addresses this challenge by integrating multi-scale features. Using EfficientNet as a backbone, the model extracts multi-scale feature maps, which are divided into patches to preserve semantic information. These patches are organized into a graph based on spatial and feature similarities, with a Graph Attention Network (GAT) refining the node embeddings. Finally, a Transformer encoder captures long-range dependencies and complex interactions. The SAG-ViT is evaluated on benchmark datasets, demonstrating its effectiveness in enhancing image classification performance. Our code and weights are publicly available at https://github.com/shravan-18/SAG-ViT
Authors: Saeed Nasehi, Farhana Choudhury, Egemen Tanin
Abstract: Due to the substantial rise in online retail and e-commerce in recent years, the demand for efficient and fast solutions to Vehicle Routing Problems (VRP) has become critical. To manage the increasing demand, companies have adopted the strategy of adding more depots. However, the presence of multiple depots introduces additional complexities, making existing VRP solutions suboptimal for addressing the Multi-depot Vehicle Routing Problem (MDVRP). Traditional methods for solving the MDVRP often require significant computation time, making them unsuitable for large-scale instances. Additionally, existing learning-based solutions for the MDVRP struggle with generalizability and fail to deliver high-quality results for scenarios involving a large number of customers. In this paper, we propose a novel solution for MDVRP. Our approach employs an attention mechanism, featuring a decoder with two key layers: one layer to consider the states of all vehicles and learn to select the most suitable vehicle based on the proximity of unassigned customers, and another layer to focus on assigning a customer to the selected vehicle. This approach delivers high-quality solutions for large-scale MDVRP instances and demonstrates remarkable generalizability across varying numbers of customers and depots. Its adaptability and performance make it a practical and deployable solution for real-world logistics challenges.
Authors: Hong Lin, Shixin Wan, Zhongle Xie, Ke Chen, Meihui Zhang, Lidan Shou, Gang Chen
Abstract: Over the recent years, Shapley value (SV), a solution concept from cooperative game theory, has found numerous applications in data analytics (DA). This paper provides the first comprehensive study of SV used throughout the DA workflow, which involves three main steps: data fabric, data exploration, and result reporting. We summarize existing versatile forms of SV used in these steps by a unified definition and clarify the essential functionalities that SV can provide for data scientists. We categorize the arts in this field based on the technical challenges they tackled, which include computation efficiency, approximation error, privacy preservation, and appropriate interpretations. We discuss these challenges and analyze the corresponding solutions. We also implement SVBench, the first open-sourced benchmark for developing SV applications, and conduct experiments on six DA tasks to validate our analysis and discussions. Based on the qualitative and quantitative results, we identify the limitations of current efforts for applying SV to DA and highlight the directions of future research and engineering.
Authors: Xiangyu Han, Zhen Jia, Boyi Li, Yan Wang, Boris Ivanovic, Yurong You, Lingjie Liu, Yue Wang, Marco Pavone, Chen Feng, Yiming Li
Abstract: Photorealistic simulators are essential for the training and evaluation of vision-centric autonomous vehicles (AVs). At their core is Novel View Synthesis (NVS), a crucial capability that generates diverse unseen viewpoints to accommodate the broad and continuous pose distribution of AVs. Recent advances in radiance fields, such as 3D Gaussian Splatting, achieve photorealistic rendering at real-time speeds and have been widely used in modeling large-scale driving scenes. However, their performance is commonly evaluated using an interpolated setup with highly correlated training and test views. In contrast, extrapolation, where test views largely deviate from training views, remains underexplored, limiting progress in generalizable simulation technology. To address this gap, we leverage publicly available AV datasets with multiple traversals, multiple vehicles, and multiple cameras to build the first Extrapolated Urban View Synthesis (EUVS) benchmark. Meanwhile, we conduct quantitative and qualitative evaluations of state-of-the-art Gaussian Splatting methods across different difficulty levels. Our results show that Gaussian Splatting is prone to overfitting to training views. Besides, incorporating diffusion priors and improving geometry cannot fundamentally improve NVS under large view changes, highlighting the need for more robust approaches and large-scale training. We have released our data to help advance self-driving and urban robotics simulation technology.
Authors: Mingjing Li, Huihui Zhou, Xiaofeng Xu, Zhiwei Zhong, Puli Quan, Xueke Zhu, Yanyu Lin, Wenjie Lin, Hongyu Guo, Junchao Zhang, Yunhao Ma, Wei Wang, Zhengyu Ma, Guoqi Li, Xiaoxin Cui, Yonghong Tian
Abstract: There is a growing necessity for edge training to adapt to dynamically changing environment. Neuromorphic computing represents a significant pathway for high-efficiency intelligent computation in energy-constrained edges, but existing neuromorphic architectures lack the ability of directly training spiking neural networks (SNNs) based on backpropagation. We develop a multi-core neuromorphic architecture with Feedforward-Propagation, Back-Propagation, and Weight-Gradient engines in each core, supporting high efficient parallel computing at both the engine and core levels. It combines various data flows and sparse computation optimization by fully leveraging the sparsity in SNN training, obtaining a high energy efficiency of 1.05TFLOPS/W@ FP16 @ 28nm, 55 ~ 85% reduction of DRAM access compared to A100 GPU in SNN trainings, and a 20-core deep SNN training and a 5-worker federated learning on FPGAs. Our study develops the first multi-core neuromorphic architecture supporting the direct SNN training, facilitating the neuromorphic computing in edge-learnable applications.
Authors: Hyeonho Jeong, Chun-Hao Paul Huang, Jong Chul Ye, Niloy Mitra, Duygu Ceylan
Abstract: While recent foundational video generators produce visually rich output, they still struggle with appearance drift, where objects gradually degrade or change inconsistently across frames, breaking visual coherence. We hypothesize that this is because there is no explicit supervision in terms of spatial tracking at the feature level. We propose Track4Gen, a spatially aware video generator that combines video diffusion loss with point tracking across frames, providing enhanced spatial supervision on the diffusion features. Track4Gen merges the video generation and point tracking tasks into a single network by making minimal changes to existing video generation architectures. Using Stable Video Diffusion as a backbone, Track4Gen demonstrates that it is possible to unify video generation and point tracking, which are typically handled as separate tasks. Our extensive evaluations show that Track4Gen effectively reduces appearance drift, resulting in temporally stable and visually coherent video generation. Project page: hyeonho99.github.io/track4gen
Authors: Shuangfei Zhai, Ruixiang Zhang, Preetum Nakkiran, David Berthelot, Jiatao Gu, Huangjie Zheng, Tianrong Chen, Miguel Angel Bautista, Navdeep Jaitly, Josh Susskind
Abstract: Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In this work, we demonstrate that NFs are more powerful than previously believed. We present TarFlow: a simple and scalable architecture that enables highly performant NF models. TarFlow can be thought of as a Transformer-based variant of Masked Autoregressive Flows (MAFs): it consists of a stack of autoregressive Transformer blocks on image patches, alternating the autoregression direction between layers. TarFlow is straightforward to train end-to-end, and capable of directly modeling and generating pixels. We also propose three key techniques to improve sample quality: Gaussian noise augmentation during training, a post training denoising procedure, and an effective guidance method for both class-conditional and unconditional settings. Putting these together, TarFlow sets new state-of-the-art results on likelihood estimation for images, beating the previous best methods by a large margin, and generates samples with quality and diversity comparable to diffusion models, for the first time with a stand-alone NF model. We make our code available at https://github.com/apple/ml-tarflow.
Authors: Guillaume Marrelec, Alain Giron
Abstract: We propose to quantify dependence between two systems $X$ and $Y$ in a dataset $D$ based on the Bayesian comparison of two models: one, $H_0$, of statistical independence and another one, $H_1$, of dependence. In this framework, dependence between $X$ and $Y$ in $D$, denoted $B(X,Y|D)$, is quantified as $P(H_1|D)$, the posterior probability for the model of dependence given $D$, or any strictly increasing function thereof. It is therefore a measure of the evidence for dependence between $X$ and $Y$ as modeled by $H_1$ and observed in $D$. We review several statistical models and reconsider standard results in the light of $B(X,Y|D)$ as a measure of dependence. Using simulations, we focus on two specific issues: the effect of noise and the behavior of $B(X,Y|D)$ when $H_1$ has a parameter coding for the intensity of dependence. We then derive some general properties of $B(X,Y|D)$, showing that it quantifies the information contained in $D$ in favor of $H_1$ versus $H_0$. While some of these properties are typical of what is expected from a valid measure of dependence, others are novel and naturally appear as desired features for specific measures of dependence, which we call inferential. We finally put these results in perspective; in particular, we discuss the consequences of using the Bayesian framework as well as the similarities and differences between $B(X,Y|D)$ and mutual information.
Authors: Chujie Zheng, Zhenru Zhang, Beichen Zhang, Runji Lin, Keming Lu, Bowen Yu, Dayiheng Liu, Jingren Zhou, Junyang Lin
Abstract: As language models regularly make mistakes when solving math problems, automated identification of errors in the reasoning process becomes increasingly significant for their scalable oversight. In this paper, we introduce ProcessBench for measuring the ability to identify erroneous steps in mathematical reasoning. It consists of 3,400 test cases, primarily focused on competition- and Olympiad-level math problems. Each test case contains a step-by-step solution with error location annotated by human experts. Models are required to identify the earliest step that contains an error, or conclude that all steps are correct. We conduct extensive evaluation on ProcessBench, involving two types of models: process reward models (PRMs) and critic models, where for the latter we prompt general language models to critique each solution step by step. We draw two main observations: (1) Existing PRMs typically fail to generalize to more challenging math problems beyond GSM8K and MATH. They underperform both critic models (i.e., prompted general language models) and our own trained PRM that is straightforwardly fine-tuned on the PRM800K dataset. (2) The best open-source model, QwQ-32B-Preview, has demonstrated the critique capability competitive with the proprietary model GPT-4o, despite that it still lags behind the reasoning-specialized o1-mini. We hope ProcessBench can foster future research in reasoning process assessment, paving the way toward scalable oversight of language models.