Authors: Dacian Goina, Eduard Hogea, George Maties
Abstract: This paper presents a novel anomaly detection methodology termed Statistical Aggregated Anomaly Detection (SAAD). The SAAD approach integrates advanced statistical techniques with machine learning, and its efficacy is demonstrated through validation on real sensor data from a Hardware-in-the-Loop (HIL) environment within the automotive domain. The key innovation of SAAD lies in its ability to significantly enhance the accuracy and robustness of anomaly detection when combined with Fully Connected Networks (FCNs) augmented by dropout layers. Comprehensive experimental evaluations indicate that the standalone statistical method achieves an accuracy of 72.1%, whereas the deep learning model alone attains an accuracy of 71.5%. In contrast, the aggregated method achieves a superior accuracy of 88.3% and an F1 score of 0.921, thereby outperforming the individual models. These results underscore the effectiveness of SAAD, demonstrating its potential for broad application in various domains, including automotive systems.
Authors: Xueming Yan, Ziqi Wang, Yaochu Jin
Abstract: Federated multi-view clustering offers the potential to develop a global clustering model using data distributed across multiple devices. However, current methods face challenges due to the absence of label information and the paramount importance of data privacy. A significant issue is the feature heterogeneity across multi-view data, which complicates the effective mining of complementary clustering information. Additionally, the inherent incompleteness of multi-view data in a distributed setting can further complicate the clustering process. To address these challenges, we introduce a federated incomplete multi-view clustering framework with heterogeneous graph neural networks (FIM-GNNs). In the proposed FIM-GNNs, autoencoders built on heterogeneous graph neural network models are employed for feature extraction of multi-view data at each client site. At the server level, heterogeneous features from overlapping samples of each client are aggregated into a global feature representation. Global pseudo-labels are generated at the server to enhance the handling of incomplete view data, where these labels serve as a guide for integrating and refining the clustering process across different data views. Comprehensive experiments have been conducted on public benchmark datasets to verify the performance of the proposed FIM-GNNs in comparison with state-of-the-art algorithms.
Authors: Alejandro Polo-Molina, David Alfaya, Jose Portela
Abstract: Artificial Neural Networks (ANNs) have become a powerful tool for modeling complex relationships in large-scale datasets. However, their black-box nature poses ethical challenges. In certain situations, ensuring ethical predictions might require following specific partial monotonic constraints. However, certifying if an already-trained ANN is partially monotonic is challenging. Therefore, ANNs are often disregarded in some critical applications, such as credit scoring, where partial monotonicity is required. To address this challenge, this paper presents a novel algorithm (LipVor) that certifies if a black-box model, such as an ANN, is positive based on a finite number of evaluations. Therefore, as partial monotonicity can be stated as a positivity condition of the partial derivatives, the LipVor Algorithm can certify whether an already trained ANN is partially monotonic. To do so, for every positively evaluated point, the Lipschitzianity of the black-box model is used to construct a specific neighborhood where the function remains positive. Next, based on the Voronoi diagram of the evaluated points, a sufficient condition is stated to certify if the function is positive in the domain. Compared to prior methods, our approach is able to mathematically certify if an ANN is partially monotonic without needing constrained ANN's architectures or piece-wise linear activation functions. Therefore, LipVor could open up the possibility of using unconstrained ANN in some critical fields. Moreover, some other properties of an ANN, such as convexity, can be posed as positivity conditions, and therefore, LipVor could also be applied.
Authors: Guangjing Huang, Qiong Wu, Jingyi Li, Xu Chen
Abstract: Federated learning (FL) has emerged as a promising paradigm that enables clients to collaboratively train a shared global model without uploading their local data. To alleviate the heterogeneous data quality among clients, artificial intelligence-generated content (AIGC) can be leveraged as a novel data synthesis technique for FL model performance enhancement. Due to various costs incurred by AIGC-empowered FL (e.g., costs of local model computation and data synthesis), however, clients are usually reluctant to participate in FL without adequate economic incentives, which leads to an unexplored critical issue for enabling AIGC-empowered FL. To fill this gap, we first devise a data quality assessment method for data samples generated by AIGC and rigorously analyze the convergence performance of FL model trained using a blend of authentic and AI-generated data samples. We then propose a data quality-aware incentive mechanism to encourage clients' participation. In light of information asymmetry incurred by clients' private multi-dimensional attributes, we investigate clients' behavior patterns and derive the server's optimal incentive strategies to minimize server's cost in terms of both model accuracy loss and incentive payments for both complete and incomplete information scenarios. Numerical results demonstrate that our proposed mechanism exhibits highest training accuracy and reduces up to 53.34% of the server's cost with real-world datasets, compared with existing benchmark mechanisms.
Authors: Jaehyun Nam, Kyuyoung Kim, Seunghyuk Oh, Jihoon Tack, Jaehyung Kim, Jinwoo Shin
Abstract: Learning effective representations from raw data is crucial for the success of deep learning methods. However, in the tabular domain, practitioners often prefer augmenting raw column features over using learned representations, as conventional tree-based algorithms frequently outperform competing approaches. As a result, feature engineering methods that automatically generate candidate features have been widely used. While these approaches are often effective, there remains ambiguity in defining the space over which to search for candidate features. Moreover, they often rely solely on validation scores to select good features, neglecting valuable feedback from past experiments that could inform the planning of future experiments. To address the shortcomings, we propose a new tabular learning framework based on large language models (LLMs), coined Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage LLMs' reasoning capabilities to find good feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. Here, we choose a decision tree as reasoning as it can be interpreted in natural language, effectively conveying knowledge of past experiments (i.e., the prediction models trained with the generated features) to the LLM. Our empirical results demonstrate that this simple framework consistently enhances the performance of various prediction models across diverse tabular benchmarks, outperforming competing automatic feature engineering methods.
Authors: Ossi R\"ais\"a, Stratis Markou, Matthew Ashman, Wessel P. Bruinsma, Marlon Tobaben, Antti Honkela, Richard E. Turner
Abstract: Many high-stakes applications require machine learning models that protect user privacy and provide well-calibrated, accurate predictions. While Differential Privacy (DP) is the gold standard for protecting user privacy, standard DP mechanisms typically significantly impair performance. One approach to mitigating this issue is pre-training models on simulated data before DP learning on the private data. In this work we go a step further, using simulated data to train a meta-learning model that combines the Convolutional Conditional Neural Process (ConvCNP) with an improved functional DP mechanism of Hall et al. [2013] yielding the DPConvCNP. DPConvCNP learns from simulated data how to map private data to a DP predictive model in one forward pass, and then provides accurate, well-calibrated predictions. We compare DPConvCNP with a DP Gaussian Process (GP) baseline with carefully tuned hyperparameters. The DPConvCNP outperforms the GP baseline, especially on non-Gaussian data, yet is much faster at test time and requires less tuning.
Authors: Miao Qi, Ramzi Idoughi, Wolfgang Heidrich
Abstract: Flow estimation problems are ubiquitous in scientific imaging. Often, the underlying flows are subject to physical constraints that can be exploited in the flow estimation; for example, incompressible (divergence-free) flows are expected for many fluid experiments, while irrotational (curl-free) flows arise in the analysis of optical distortions and wavefront sensing. In this work, we propose a Physics- Inspired Neural Network (PINN) named HDNet, which performs a Helmholtz decomposition of an arbitrary flow field, i.e., it decomposes the input flow into a divergence-only and a curl-only component. HDNet can be trained exclusively on synthetic data generated by reverse Helmholtz decomposition, which we call Helmholtz synthesis. As a PINN, HDNet is fully differentiable and can easily be integrated into arbitrary flow estimation problems.
Authors: Haoxin Liu, Shangqing Xu, Zhiyuan Zhao, Lingkai Kong, Harshavardhan Kamarthi, Aditya B. Sasanur, Megha Sharma, Jiaming Cui, Qingsong Wen, Chao Zhang, B. Aditya Prakash
Abstract: Time series data are ubiquitous across a wide range of real-world domains. While real-world time series analysis (TSA) requires human experts to integrate numerical series data with multimodal domain-specific knowledge, most existing TSA models rely solely on numerical data, overlooking the significance of information beyond numerical series. This oversight is due to the untapped potential of textual series data and the absence of a comprehensive, high-quality multimodal dataset. To overcome this obstacle, we introduce Time-MMD, the first multi-domain, multimodal time series dataset covering 9 primary data domains. Time-MMD ensures fine-grained modality alignment, eliminates data contamination, and provides high usability. Additionally, we develop MM-TSFlib, the first multimodal time-series forecasting (TSF) library, seamlessly pipelining multimodal TSF evaluations based on Time-MMD for in-depth analyses. Extensive experiments conducted on Time-MMD through MM-TSFlib demonstrate significant performance enhancements by extending unimodal TSF to multimodality, evidenced by over 15% mean squared error reduction in general, and up to 40% in domains with rich textual data. More importantly, our datasets and library revolutionize broader applications, impacts, research topics to advance TSA. The dataset and library are available at https://github.com/AdityaLab/Time-MMD and https://github.com/AdityaLab/MM-TSFlib.
URLs: https://github.com/AdityaLab/Time-MMD, https://github.com/AdityaLab/MM-TSFlib.
Authors: Isaac Lage, Sonali Parbhoo, Finale Doshi-Velez
Abstract: Machine learning (ML) models can make decisions based on large amounts of data, but they can be missing personal knowledge available to human users about whom predictions are made. For example, a model trained to predict psychiatric outcomes may know nothing about a patient's social support system, and social support may look different for different patients. In this work, we introduce the problem of human feature integration, which provides a way to incorporate important personal-knowledge from users without domain expertise into ML predictions. We characterize this problem through illustrative user stories and comparisons to existing approaches; we formally describe this problem in a way that paves the ground for future technical solutions; and we provide a proof-of-concept study of a simple version of a solution to this problem in a semi-realistic setting.
Authors: Chi-Jane Chen, Haidong Yi, Natalie Stanley
Abstract: Single-cell technologies enable comprehensive profiling of diverse immune cell-types through the measurement of multiple genes or proteins per cell. In order to translate data from immune profiling assays into powerful diagnostics, machine learning approaches are used to compute per-sample immunological summaries, or featurizations that can be used as inputs to models for outcomes of interest. Current supervised learning approaches for computing per-sample representations are optimized based only on the outcome variable to be predicted and do not take into account clinically-relevant covariates that are likely to also be measured. Here we expand the optimization problem to also take into account such additional patient covariates to directly inform the learned per-sample representations. To do this, we introduce CytoCoSet, a set-based encoding method, which formulates a loss function with an additional triplet term penalizing samples with similar covariates from having disparate embedding results in per-sample representations. Overall, incorporating clinical covariates leads to improved prediction of clinical phenotypes.
Authors: John Arevalo, Ellen Su, Anne E Carpenter, Shantanu Singh
Abstract: Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTI$\mathcal{VE}$, a Morphological cOmpound Target Interaction Graph dataset that comprises Cell Painting features for $11,000$ genes and $3,600$ compounds along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTI$\mathcal{VE}$ accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTI$\mathcal{VE}$ resources are available at https://github.com/carpenter-singh-lab/motive.
Authors: Burak Var{\i}c{\i}, Dmitriy Katz-Rogozhnikov, Dennis Wei, Prasanna Sattigeri, Ali Tajer
Abstract: Causal interactions among a group of variables are often modeled by a single causal graph. In some domains, however, these interactions are best described by multiple co-existing causal graphs, e.g., in dynamical systems or genomics. This paper addresses the hitherto unknown role of interventions in learning causal interactions among variables governed by a mixture of causal systems, each modeled by one directed acyclic graph (DAG). Causal discovery from mixtures is fundamentally more challenging than single-DAG causal discovery. Two major difficulties stem from (i) inherent uncertainty about the skeletons of the component DAGs that constitute the mixture and (ii) possibly cyclic relationships across these component DAGs. This paper addresses these challenges and aims to identify edges that exist in at least one component DAG of the mixture, referred to as true edges. First, it establishes matching necessary and sufficient conditions on the size of interventions required to identify the true edges. Next, guided by the necessity results, an adaptive algorithm is designed that learns all true edges using ${\cal O}(n^2)$ interventions, where $n$ is the number of nodes. Remarkably, the size of the interventions is optimal if the underlying mixture model does not contain cycles across its components. More generally, the gap between the intervention size used by the algorithm and the optimal size is quantified. It is shown to be bounded by the cyclic complexity number of the mixture model, defined as the size of the minimal intervention that can break the cycles in the mixture, which is upper bounded by the number of cycles among the ancestors of a node.
Authors: Hang Gao, Peng Qiao, Yifan Jin, Fengge Wu, Jiangmeng Li, Changwen Zheng
Abstract: When engaging in end-to-end graph representation learning with Graph Neural Networks (GNNs), the intricate causal relationships and rules inherent in graph data pose a formidable challenge for the model in accurately capturing authentic data relationships. A proposed mitigating strategy involves the direct integration of rules or relationships corresponding to the graph data into the model. However, within the domain of graph representation learning, the inherent complexity of graph data obstructs the derivation of a comprehensive causal structure that encapsulates universal rules or relationships governing the entire dataset. Instead, only specialized diminutive causal structures, delineating specific causal relationships within constrained subsets of graph data, emerge as discernible. Motivated by empirical insights, it is observed that GNN models exhibit a tendency to converge towards such specialized causal structures during the training process. Consequently, we posit that the introduction of these specific causal structures is advantageous for the training of GNN models. Building upon this proposition, we introduce a novel method that enables GNN models to glean insights from these specialized diminutive causal structures, thereby enhancing overall performance. Our method specifically extracts causal knowledge from the model representation of these diminutive causal structures and incorporates interchange intervention to optimize the learning process. Theoretical analysis serves to corroborate the efficacy of our proposed method. Furthermore, empirical experiments consistently demonstrate significant performance improvements across diverse datasets.
Authors: Paul Whitten, Francis Wolff, Chris Papachristou
Abstract: Explainability is needed to establish confidence in machine learning results. Some explainable methods take a post hoc approach to explain the weights of machine learning models, others highlight areas of the input contributing to decisions. These methods do not adequately explain decisions, in plain terms. Explainable property-based systems have been shown to provide explanations in plain terms, however, they have not performed as well as leading unexplainable machine learning methods. This research focuses on the importance of metrics to explainability and contributes two methods yielding performance gains. The first method introduces a combination of explainable and unexplainable flows, proposing a metric to characterize explainability of a decision. The second method compares classic metrics for estimating the effectiveness of neural networks in the system, posing a new metric as the leading performer. Results from the new methods and examples from handwritten datasets are presented.
Authors: Tong Nie, Guoyang Qin, Wei Ma, Jian Sun
Abstract: $\textbf{This is the conference version of our paper: Spatiotemporal Implicit Neural Representation as a Generalized Traffic Data Learner}$. Spatiotemporal Traffic Data (STTD) measures the complex dynamical behaviors of the multiscale transportation system. Existing methods aim to reconstruct STTD using low-dimensional models. However, they are limited to data-specific dimensions or source-dependent patterns, restricting them from unifying representations. Here, we present a novel paradigm to address the STTD learning problem by parameterizing STTD as an implicit neural representation. To discern the underlying dynamics in low-dimensional regimes, coordinate-based neural networks that can encode high-frequency structures are employed to directly map coordinates to traffic variables. To unravel the entangled spatial-temporal interactions, the variability is decomposed into separate processes. We further enable modeling in irregular spaces such as sensor graphs using spectral embedding. Through continuous representations, our approach enables the modeling of a variety of STTD with a unified input, thereby serving as a generalized learner of the underlying traffic dynamics. It is also shown that it can learn implicit low-rank priors and smoothness regularization from the data, making it versatile for learning different dominating data patterns. We validate its effectiveness through extensive experiments in real-world scenarios, showcasing applications from corridor to network scales. Empirical results not only indicate that our model has significant superiority over conventional low-rank models, but also highlight that the versatility of the approach. We anticipate that this pioneering modeling perspective could lay the foundation for universal representation of STTD in various real-world tasks. $\textbf{The full version can be found at:}$ https://doi.org/10.48550/arXiv.2405.03185.
Authors: Qinghua Tao, Francesco Tonin, Alex Lambert, Yingyi Chen, Panagiotis Patrinos, Johan A. K. Suykens
Abstract: In contrast with Mercer kernel-based approaches as used e.g., in Kernel Principal Component Analysis (KPCA), it was previously shown that Singular Value Decomposition (SVD) inherently relates to asymmetric kernels and Asymmetric Kernel Singular Value Decomposition (KSVD) has been proposed. However, the existing formulation to KSVD cannot work with infinite-dimensional feature mappings, the variational objective can be unbounded, and needs further numerical evaluation and exploration towards machine learning. In this work, i) we introduce a new asymmetric learning paradigm based on coupled covariance eigenproblem (CCE) through covariance operators, allowing infinite-dimensional feature maps. The solution to CCE is ultimately obtained from the SVD of the induced asymmetric kernel matrix, providing links to KSVD. ii) Starting from the integral equations corresponding to a pair of coupled adjoint eigenfunctions, we formalize the asymmetric Nystr\"om method through a finite sample approximation to speed up training. iii) We provide the first empirical evaluations verifying the practical utility and benefits of KSVD and compare with methods resorting to symmetrization or linear SVD across multiple tasks.
Authors: Rikako Kono, Keisuke Fujii
Abstract: In professional basketball, the accurate prediction of scoring opportunities based on strategic decision-making is crucial for space and player evaluations. However, traditional models often face challenges in accounting for the complexities of off-ball movements, which are essential for accurate predictive performance. In this study, we propose two mathematical models to predict off-ball scoring opportunities in basketball, considering both pass-to-score and dribble-to-score movements: the Ball Movement for Off-ball Scoring (BMOS) and the Ball Intercept and Movement for Off-ball Scoring (BIMOS) models. The BMOS adapts principles from the Off-Ball Scoring Opportunities (OBSO) model, originally designed for soccer, to basketball, whereas the BIMOS also incorporates the likelihood of interception during ball movements. We evaluated these models using player tracking data from 630 NBA games in the 2015-2016 regular season, demonstrating that the BIMOS outperforms the BMOS in terms of scoring prediction accuracy. Thus, our models provide valuable insights for tactical analysis and player evaluation in basketball.
Authors: Ruibing Jin, Qing Xu, Min Wu, Yuecong Xu, Dan Li, Xiaoli Li, Zhenghua Chen
Abstract: Limited by the scale and diversity of time series data, the neural networks trained on time series data often overfit and show unsatisfacotry performances. In comparison, large language models (LLMs) recently exhibit impressive generalization in diverse fields. Although massive LLM based approaches are proposed for time series tasks, these methods require to load the whole LLM in both training and reference. This high computational demands limit practical applications in resource-constrained settings, like edge-computing and IoT devices. To address this issue, we propose Knowledge Pruning (KP), a novel paradigm for time series learning in this paper. For a specific downstream task, we argue that the world knowledge learned by LLMs is much redundant and only the related knowledge termed as "pertinent knowledge" is useful. Unlike other methods, our KP targets to prune the redundant knowledge and only distill the pertinent knowledge into the target model. This reduces model size and computational costs significantly. Additionally, different from existing LLM based approaches, our KP does not require to load the LLM in the process of training and testing, further easing computational burdens. With our proposed KP, a lightweight network can effectively learn the pertinent knowledge, achieving satisfactory performances with a low computation cost. To verify the effectiveness of our KP, two fundamental tasks on edge-computing devices are investigated in our experiments, where eight diverse environments or benchmarks with different networks are used to verify the generalization of our KP. Through experiments, our KP demonstrates effective learning of pertinent knowledge, achieving notable performance improvements in regression (19.7% on average) and classification (up to 13.7%) tasks, showcasing state-of-the-art results.
Authors: Jay Revolinsky, Harry Shomer, Jiliang Tang
Abstract: Recently, multiple models proposed for link prediction (LP) demonstrate impressive results on benchmark datasets. However, many popular benchmark datasets often assume that dataset samples are drawn from the same distribution (i.e., IID samples). In real-world situations, this assumption is often incorrect; since uncontrolled factors may lead train and test samples to come from separate distributions. To tackle the distribution shift problem, recent work focuses on creating datasets that feature distribution shifts and designing generalization methods that perform well on the new data. However, those studies only consider distribution shifts that affect {\it node-} and {\it graph-level} tasks, thus ignoring link-level tasks. Furthermore, relatively few LP generalization methods exist. To bridge this gap, we introduce a set of LP-specific data splits which utilizes structural properties to induce a controlled distribution shift. We verify the shift's effect empirically through evaluation of different SOTA LP methods and subsequently couple these methods with generalization techniques. Interestingly, LP-specific methods frequently generalize poorly relative to heuristics or basic GNN methods. Finally, this work provides analysis to uncover insights for enhancing LP generalization. Our code is available at: \href{https://github.com/revolins/LPStructGen}{https://github.com/revolins/LPStructGen}
URLs: https://github.com/revolins/LPStructGen, https://github.com/revolins/LPStructGen
Authors: Alaleh Ahmadianshalchi, Syrine Belakaria, Janardhan Rao Doppa
Abstract: We consider the problem of multi-objective optimization (MOO) of expensive black-box functions with the goal of discovering high-quality and diverse Pareto fronts where we are allowed to evaluate a batch of inputs. This problem arises in many real-world applications including penicillin production where diversity of solutions is critical. We solve this problem in the framework of Bayesian optimization (BO) and propose a novel approach referred to as Pareto front-Diverse Batch Multi-Objective BO (PDBO). PDBO tackles two important challenges: 1) How to automatically select the best acquisition function in each BO iteration, and 2) How to select a diverse batch of inputs by considering multiple objectives. We propose principled solutions to address these two challenges. First, PDBO employs a multi-armed bandit approach to select one acquisition function from a given library. We solve a cheap MOO problem by assigning the selected acquisition function for each expensive objective function to obtain a candidate set of inputs for evaluation. Second, it utilizes Determinantal Point Processes (DPPs) to choose a Pareto-front-diverse batch of inputs for evaluation from the candidate set obtained from the first step. The key parameters for the methods behind these two steps are updated after each round of function evaluations. Experiments on multiple MOO benchmarks demonstrate that PDBO outperforms prior methods in terms of both the quality and diversity of Pareto solutions.
Authors: Harshit Sikchi, Caleb Chuck, Amy Zhang, Scott Niekum
Abstract: Demonstrations are an effective alternative to task specification for learning agents in settings where designing a reward function is difficult. However, demonstrating expert behavior in the action space of the agent becomes unwieldy when robots have complex, unintuitive morphologies. We consider the practical setting where an agent has a dataset of prior interactions with the environment and is provided with observation-only expert demonstrations. Typical learning from observations approaches have required either learning an inverse dynamics model or a discriminator as intermediate steps of training. Errors in these intermediate one-step models compound during downstream policy learning or deployment. We overcome these limitations by directly learning a multi-step utility function that quantifies how each action impacts the agent's divergence from the expert's visitation distribution. Using the principle of duality, we derive DILO(Dual Imitation Learning from Observations), an algorithm that can leverage arbitrary suboptimal data to learn imitating policies without requiring expert actions. DILO reduces the learning from observations problem to that of simply learning an actor and a critic, bearing similar complexity to vanilla offline RL. This allows DILO to gracefully scale to high dimensional observations, and demonstrate improved performance across the board. Project page (code and videos): $\href{https://hari-sikchi.github.io/dilo/}{\text{hari-sikchi.github.io/dilo/}}$
Authors: Zhining Liu, Ruizhong Qiu, Zhichen Zeng, Yada Zhu, Hendrik Hamann, Hanghang Tong
Abstract: Data collected in the real world often encapsulates historical discrimination against disadvantaged groups and individuals. Existing fair machine learning (FairML) research has predominantly focused on mitigating discriminative bias in the model prediction, with far less effort dedicated towards exploring how to trace biases present in the data, despite its importance for the transparency and interpretability of FairML. To fill this gap, we investigate a novel research problem: discovering samples that reflect biases/prejudices from the training data. Grounding on the existing fairness notions, we lay out a sample bias criterion and propose practical algorithms for measuring and countering sample bias. The derived bias score provides intuitive sample-level attribution and explanation of historical bias in data. On this basis, we further design two FairML strategies via sample-bias-informed minimal data editing. They can mitigate both group and individual unfairness at the cost of minimal or zero predictive utility loss. Extensive experiments and analyses on multiple real-world datasets demonstrate the effectiveness of our methods in explaining and mitigating unfairness. Code is available at https://github.com/ZhiningLiu1998/AIM.
Authors: Dingwen Zhang, Yan Li, De Cheng, Nannan Wang, Junwei Han
Abstract: To facilitate the evolution of edge intelligence in ever-changing environments, we study on-device incremental learning constrained in limited computation resource in this paper. Current on-device training methods just focus on efficient training without considering the catastrophic forgetting, preventing the model getting stronger when continually exploring the world. To solve this problem, a direct solution is to involve the existing incremental learning mechanisms into the on-device training framework. Unfortunately, such a manner cannot work well as those mechanisms usually introduce large additional computational cost to the network optimization process, which would inevitably exceed the memory capacity of the edge devices. To address this issue, this paper makes an early effort to propose a simple but effective edge-friendly incremental learning framework. Based on an empirical study on the knowledge intensity of the kernel elements of the neural network, we find that the center kernel is the key for maximizing the knowledge intensity for learning new data, while freezing the other kernel elements would get a good balance on the model's capacity for overcoming catastrophic forgetting. Upon this finding, we further design a center-sensitive kernel optimization framework to largely alleviate the cost of the gradient computation and back-propagation. Besides, a dynamic channel element selection strategy is also proposed to facilitate a sparse orthogonal gradient projection for further reducing the optimization complexity, upon the knowledge explored from the new task data. Extensive experiments validate our method is efficient and effective, e.g., our method achieves average accuracy boost of 38.08% with even less memory and approximate computation compared to existing on-device training methods, indicating its significant potential for on-device incremental learning.
Authors: Junghwan Lee, Simin Ma, Nicoleta Serban, Shihao Yang
Abstract: Observational data have been actively used to estimate treatment effect, driven by the growing availability of electronic health records (EHRs). However, EHRs typically consist of longitudinal records, often introducing time-dependent confoundings that hinder the unbiased estimation of treatment effect. Inverse probability of treatment weighting (IPTW) is a widely used propensity score method since it provides unbiased treatment effect estimation and its derivation is straightforward. In this study, we aim to utilize IPTW to estimate treatment effect in the presence of time-dependent confounding using claims records. Previous studies have utilized propensity score methods with features derived from claims records through feature processing, which generally requires domain knowledge and additional resources to extract information to accurately estimate propensity scores. Deep sequence models, particularly recurrent neural networks and self-attention-based architectures, have demonstrated good performance in modeling EHRs for various downstream tasks. We propose that these deep sequence models can provide accurate IPTW estimation of treatment effect by directly estimating the propensity scores from claims records without the need for feature processing. We empirically demonstrate this by conducting comprehensive evaluations using synthetic and semi-synthetic datasets.
Authors: Georg Goldenits, Kevin Mallinger, Sebastian Raubitzek, Thomas Neubauer
Abstract: Digital Twins have gained attention in various industries for simulation, monitoring, and decision-making, relying on ever-improving machine learning models. However, agricultural Digital Twin implementations are limited compared to other industries. Meanwhile, machine learning, particularly reinforcement learning, has shown potential in agricultural applications like optimizing decision-making, task automation, and resource management. A key aspect of Digital Twins is representing physical assets or systems in a virtual environment, which aligns well with reinforcement learning's need for environment representations to learn the best policy for a task. Reinforcement learning in agriculture can thus enable various Digital Twin applications in agricultural domains. This review aims to categorize existing research employing reinforcement learning in agricultural settings by application domains like robotics, greenhouse management, irrigation systems, and crop management, identifying potential future areas for reinforcement learning-based Digital Twins. It also categorizes the reinforcement learning techniques used, including tabular methods, Deep Q-Networks (DQN), Policy Gradient methods, and Actor-Critic algorithms, to overview currently employed models. The review seeks to provide insights into the state-of-the-art in integrating Digital Twins and reinforcement learning in agriculture, identifying gaps and opportunities for future research, and exploring synergies to tackle agricultural challenges and optimize farming, paving the way for more efficient and sustainable farming methodologies.
Authors: Alexi Gladstone, Ganesh Nanduru, Md Mofijul Islam, Aman Chadha, Jundong Li, Tariq Iqbal
Abstract: One of the predominant methods for training world models is autoregressive prediction in the output space of the next element of a sequence. In Natural Language Processing (NLP), this takes the form of Large Language Models (LLMs) predicting the next token; in Computer Vision (CV), this takes the form of autoregressive models predicting the next frame/token/pixel. However, this approach differs from human cognition in several respects. First, human predictions about the future actively influence internal cognitive processes. Second, humans naturally evaluate the plausibility of predictions regarding future states. Based on this capability, and third, by assessing when predictions are sufficient, humans allocate a dynamic amount of time to make a prediction. This adaptive process is analogous to System 2 thinking in psychology. All these capabilities are fundamental to the success of humans at high-level reasoning and planning. Therefore, to address the limitations of traditional autoregressive models lacking these human-like capabilities, we introduce Energy-Based World Models (EBWM). EBWM involves training an Energy-Based Model (EBM) to predict the compatibility of a given context and a predicted future state. In doing so, EBWM enables models to achieve all three facets of human cognition described. Moreover, we developed a variant of the traditional autoregressive transformer tailored for Energy-Based models, termed the Energy-Based Transformer (EBT). Our results demonstrate that EBWM scales better with data and GPU Hours than traditional autoregressive transformers in CV, and that EBWM offers promising early scaling in NLP. Consequently, this approach offers an exciting path toward training future models capable of System 2 thinking and intelligently searching across state spaces.
Authors: Yuxiang Hu, Jinxin Hu, Ting Xu, Bo Zhang, Jiajie Yuan, Haozhang Deng
Abstract: This project intends to study a cardiovascular disease risk early warning model based on one-dimensional convolutional neural networks. First, the missing values of 13 physiological and symptom indicators such as patient age, blood glucose, cholesterol, and chest pain were filled and Z-score was standardized. The convolutional neural network is converted into a 2D matrix, the convolution function of 1,3, and 5 is used for the first-order convolution operation, and the Max Pooling algorithm is adopted for dimension reduction. Set the learning rate and output rate. It is optimized by the Adam algorithm. The result of classification is output by a soft classifier. This study was conducted based on Statlog in the UCI database and heart disease database respectively. The empirical data indicate that the forecasting precision of this technique has been enhanced by 11.2%, relative to conventional approaches, while there is a significant improvement in the logarithmic curve fitting. The efficacy and applicability of the novel approach are corroborated through the examination employing a one-dimensional convolutional neural network.
Authors: Jonathan Booher, Khashayar Rohanimanesh, Junhong Xu, Aleksandr Petiushko
Abstract: Modern approaches to autonomous driving rely heavily on learned components trained with large amounts of human driving data via imitation learning. However, these methods require large amounts of expensive data collection and even then face challenges with safely handling long-tail scenarios and compounding errors over time. At the same time, pure Reinforcement Learning (RL) methods can fail to learn performant policies in sparse, constrained, and challenging-to-define reward settings like driving. Both of these challenges make deploying purely cloned policies in safety critical applications like autonomous vehicles challenging. In this paper we propose Combining IMitation and Reinforcement Learning (CIMRL) approach -- a framework that enables training driving policies in simulation through leveraging imitative motion priors and safety constraints. CIMRL does not require extensive reward specification and improves on the closed loop behavior of pure cloning methods. By combining RL and imitation, we demonstrate that our method achieves state-of-the-art results in closed loop simulation driving benchmarks.
Authors: Zhiyao Zhou, Sheng Zhou, Bochao Mao, Jiawei Chen, Qingyun Sun, Yan Feng, Chun Chen, Can Wang
Abstract: To mitigate the suboptimal nature of graph structure, Graph Structure Learning (GSL) has emerged as a promising approach to improve graph structure and boost performance in downstream tasks. Despite the proposal of numerous GSL methods, the progresses in this field mostly concentrated on node-level tasks, while graph-level tasks (e.g., graph classification) remain largely unexplored. Notably, applying node-level GSL to graph classification is non-trivial due to the lack of find-grained guidance for intricate structure learning. Inspired by the vital role of subgraph in graph classification, in this paper we explore the potential of subgraph structure learning for graph classification by tackling the challenges of key subgraph selection and structure optimization. We propose a novel Motif-driven Subgraph Structure Learning method for Graph Classification (MOSGSL). Specifically, MOSGSL incorporates a subgraph structure learning module which can adaptively select important subgraphs. A motif-driven structure guidance module is further introduced to capture key subgraph-level structural patterns (motifs) and facilitate personalized structure learning. Extensive experiments demonstrate a significant and consistent improvement over baselines, as well as its flexibility and generalizability for various backbones and learning procedures.
Authors: Emil Biju, Anirudh Sriram, Mert Pilanci
Abstract: While large transformer-based models have exhibited remarkable performance in speaker-independent speech recognition, their large size and computational requirements make them expensive or impractical to use in resource-constrained settings. In this work, we propose a low-rank adaptive compression technique called AdaPTwin that jointly compresses product-dependent pairs of weight matrices in the transformer attention layer. Our approach can prioritize the compressed model's performance on a specific speaker while maintaining generalizability to new speakers and acoustic conditions. Notably, our technique requires only 8 hours of speech data for fine-tuning, which can be accomplished in under 20 minutes, making it highly cost-effective compared to other compression methods. We demonstrate the efficacy of our approach by compressing the Whisper and Distil-Whisper models by up to 45% while incurring less than a 2% increase in word error rate.
Authors: Preetum Nakkiran, Arwen Bradley, Hattie Zhou, Madhu Advani
Abstract: We present an accessible first course on diffusion models and flow matching for machine learning, aimed at a technical audience with no diffusion experience. We try to simplify the mathematical details as much as possible (sometimes heuristically), while retaining enough precision to derive correct algorithms.
Authors: Qihan Hu, Daomiao Wang, Hong Wu, Jian Liu, Cuiwei Yang
Abstract: The progression of deep learning and the widespread adoption of sensors have facilitated automatic multi-view fusion (MVF) about the cardiovascular system (CVS) signals. However, prevalent MVF model architecture often amalgamates CVS signals from the same temporal step but different views into a unified representation, disregarding the asynchronous nature of cardiovascular events and the inherent heterogeneity across views, leading to catastrophic view confusion. Efficient training strategies specifically tailored for MVF models to attain comprehensive representations need simultaneous consideration. Crucially, real-world data frequently arrives with incomplete views, an aspect rarely noticed by researchers. Thus, the View-Centric Transformer (VCT) and Multitask Masked Autoencoder (M2AE) are specifically designed to emphasize the centrality of each view and harness unlabeled data to achieve superior fused representations. Additionally, we systematically define the missing-view problem for the first time and introduce prompt techniques to aid pretrained MVF models in flexibly adapting to various missing-view scenarios. Rigorous experiments involving atrial fibrillation detection, blood pressure estimation, and sleep staging-typical health monitoring tasks-demonstrate the remarkable advantage of our method in MVF compared to prevailing methodologies. Notably, the prompt technique requires finetuning less than 3% of the entire model's data, substantially fortifying the model's resilience to view missing while circumventing the need for complete retraining. The results demonstrate the effectiveness of our approaches, highlighting their potential for practical applications in cardiovascular health monitoring. Codes and models are released at URL.
Authors: Victor Qu\'etu, Nour Hezbri, Enzo Tartaglione
Abstract: Although deep neural networks are well-known for their remarkable performance in tackling complex tasks, their hunger for computational resources remains a significant hurdle, posing energy-consumption issues and restricting their deployment on resource-constrained devices, which stalls their widespread adoption. In this paper, we present an optimal transport method to reduce the depth of over-parametrized deep neural networks, alleviating their computational burden. More specifically, we propose a new regularization strategy based on the Max-Sliced Wasserstein distance to minimize the distance between the intermediate feature distributions in the neural network. We show that minimizing this distance enables the complete removal of intermediate layers in the network, with almost no performance loss and without requiring any finetuning. We assess the effectiveness of our method on traditional image classification setups. We commit to releasing the source code upon acceptance of the article.
Authors: Joakim Edin, Maria Maistro, Lars Maal{\o}e, Lasse Borgholt, Jakob D. Havtorn, Tuukka Ruotsalo
Abstract: Electronic healthcare records are vital for patient safety as they document conditions, plans, and procedures in both free text and medical codes. Language models have significantly enhanced the processing of such records, streamlining workflows and reducing manual data entry, thereby saving healthcare providers significant resources. However, the black-box nature of these models often leaves healthcare professionals hesitant to trust them. State-of-the-art explainability methods increase model transparency but rely on human-annotated evidence spans, which are costly. In this study, we propose an approach to produce plausible and faithful explanations without needing such annotations. We demonstrate on the automated medical coding task that adversarial robustness training improves explanation plausibility and introduce AttInGrad, a new explanation method superior to previous ones. By combining both contributions in a fully unsupervised setup, we produce explanations of comparable quality, or better, to that of a supervised approach. We release our code and model weights.
Authors: Marco Pacini, Xiaowen Dong, Bruno Lepri, Gabriele Santin
Abstract: The separation power of a machine learning model refers to its capacity to distinguish distinct inputs, and it is often employed as a proxy for its expressivity. In this paper, we propose a theoretical framework to investigate the separation power of equivariant neural networks with point-wise activations. Using the proposed framework, we can derive an explicit description of inputs indistinguishable by a family of neural networks with given architecture, demonstrating that it remains unaffected by the choice of non-polynomial activation function employed. We are able to understand the role played by activation functions in separability. Indeed, we show that all non-polynomial activations, such as ReLU and sigmoid, are equivalent in terms of expressivity, and that they reach maximum discrimination capacity. We demonstrate how assessing the separation power of an equivariant neural network can be simplified to evaluating the separation power of minimal representations. We conclude by illustrating how these minimal components form a hierarchy in separation power.
Authors: Alexander Nikulin, Ilya Zisman, Alexey Zemtsov, Viacheslav Sinii, Vladislav Kurenkov, Sergey Kolesnikov
Abstract: Following the success of the in-context learning paradigm in large-scale language and computer vision models, the recently emerging field of in-context reinforcement learning is experiencing a rapid growth. However, its development has been held back by the lack of challenging benchmarks, as all the experiments have been carried out in simple environments and on small-scale datasets. We present \textbf{XLand-100B}, a large-scale dataset for in-context reinforcement learning based on the XLand-MiniGrid environment, as a first step to alleviate this problem. It contains complete learning histories for nearly $30,000$ different tasks, covering $100$B transitions and $2.5$B episodes. It took $50,000$ GPU hours to collect the dataset, which is beyond the reach of most academic labs. Along with the dataset, we provide the utilities to reproduce or expand it even further. With this substantial effort, we aim to democratize research in the rapidly growing field of in-context reinforcement learning and provide a solid foundation for further scaling. The code is open-source and available under Apache 2.0 licence at https://github.com/dunno-lab/xland-minigrid-datasets.
Authors: Arian Prabowo, Xiachong Lin, Imran Razzak, Hao Xue, Emily W. Yap, Matthew Amos, Flora D. Salim
Abstract: Buildings play a crucial role in human well-being, influencing occupant comfort, health, and safety. Additionally, they contribute significantly to global energy consumption, accounting for one-third of total energy usage, and carbon emissions. Optimizing building performance presents a vital opportunity to combat climate change and promote human flourishing. However, research in building analytics has been hampered by the lack of accessible, available, and comprehensive real-world datasets on multiple building operations. In this paper, we introduce the Building TimeSeries (BTS) dataset. Our dataset covers three buildings over a three-year period, comprising more than ten thousand timeseries data points with hundreds of unique ontologies. Moreover, the metadata is standardized using the Brick schema. To demonstrate the utility of this dataset, we performed benchmarks on two tasks: timeseries ontology classification and zero-shot forecasting. These tasks represent an essential initial step in addressing challenges related to interoperability in building analytics. Access to the dataset and the code used for benchmarking are available here: https://github.com/cruiseresearchgroup/DIEF_BTS .
Authors: Yuankai Luo, Lei Shi, Xiao-Ming Wu
Abstract: Graph Transformers (GTs) have recently emerged as popular alternatives to traditional message-passing Graph Neural Networks (GNNs), due to their theoretically superior expressiveness and impressive performance reported on standard node classification benchmarks, often significantly outperforming GNNs. In this paper, we conduct a thorough empirical analysis to reevaluate the performance of three classic GNN models (GCN, GAT, and GraphSAGE) against GTs. Our findings suggest that the previously reported superiority of GTs may have been overstated due to suboptimal hyperparameter configurations in GNNs. Remarkably, with slight hyperparameter tuning, these classic GNN models achieve state-of-the-art performance, matching or even exceeding that of recent GTs across 17 out of the 18 diverse datasets examined. Additionally, we conduct detailed ablation studies to investigate the influence of various GNN configurations, such as normalization, dropout, residual connections, network depth, and jumping knowledge mode, on node classification performance. Our study aims to promote a higher standard of empirical rigor in the field of graph machine learning, encouraging more accurate comparisons and evaluations of model capabilities.
Authors: Xihao Piao, Zheng Chen, Taichi Murayama, Yasuko Matsubara, Yasushi Sakurai
Abstract: The Transformer model has shown leading performance in time series forecasting. Nevertheless, in some complex scenarios, it tends to learn low-frequency features in the data and overlook high-frequency features, showing a frequency bias. This bias prevents the model from accurately capturing important high-frequency data features. In this paper, we undertook empirical analyses to understand this bias and discovered that frequency bias results from the model disproportionately focusing on frequency features with higher energy. Based on our analysis, we formulate this bias and propose Fredformer, a Transformer-based framework designed to mitigate frequency bias by learning features equally across different frequency bands. This approach prevents the model from overlooking lower amplitude features important for accurate forecasting. Extensive experiments show the effectiveness of our proposed approach, which can outperform other baselines in different real-world time-series datasets. Furthermore, we introduce a lightweight variant of the Fredformer with an attention matrix approximation, which achieves comparable performance but with much fewer parameters and lower computation costs. The code is available at: https://github.com/chenzRG/Fredformer
Authors: Tomas Kulvicius, Dajie Zhang, Luise Poustka, Sven B\"olte, Lennart Jahn, Sarah Fl\"ugge, Marc Kraft, Markus Zweckstetter, Karin Nielsen-Saines, Florentin W\"org\"otter, Peter B Marschik
Abstract: There is a recent boom in the development of AI solutions to facilitate and enhance diagnostic procedures for established clinical tools. To assess the integrity of the developing nervous system, the Prechtl general movement assessment (GMA) is recognized for its clinical value in the diagnosis of neurological impairments in early infancy. GMA has been increasingly augmented through machine learning approaches intending to scale-up its application, circumvent costs in the training of human assessors and further standardize classification of spontaneous motor patterns. Available deep learning tools, all of which are based on single sensor modalities, are however still considerably inferior to that of well-trained human assessors. These approaches are hardly comparable as all models are designed, trained and evaluated on proprietary/ silo-data sets. We propose a sensor fusion approach for assessing fidgety movements (FMs) comparing three different sensor modalities (pressure, inertial, and visual sensors). Various combinations and two sensor fusion approaches (late and early fusion) for infant movement classification were tested to evaluate whether a multi-sensor system outperforms single modality assessments. The performance of the three-sensor fusion (classification accuracy of 94.5\%) was significantly higher than that of any single modality evaluated, suggesting the sensor fusion approach is a promising avenue for automated classification of infant motor patterns. The development of a robust sensor fusion system may significantly enhance AI-based early recognition of neurofunctions, ultimately facilitating early implementation of automated detection of neurodevelopmental conditions.
Authors: Can Pouliquen, Mathurin Massias, Titouan Vayer
Abstract: Estimating matrices in the symmetric positive-definite (SPD) cone is of interest for many applications ranging from computer vision to graph learning. While there exist various convex optimization-based estimators, they remain limited in expressivity due to their model-based approach. The success of deep learning has thus led many to use neural networks to learn to estimate SPD matrices in a data-driven fashion. For learning structured outputs, one promising strategy involves architectures designed by unrolling iterative algorithms, which potentially benefit from inductive bias properties. However, designing correct unrolled architectures for SPD learning is difficult: they either do not guarantee that their output has all the desired properties, rely on heavy computations, or are overly restrained to specific matrices which hinders their expressivity. In this paper, we propose a novel and generic learning module with guaranteed SPD outputs called SpodNet, that also enables learning a larger class of functions than existing approaches. Notably, it solves the challenging task of learning jointly SPD and sparse matrices. Our experiments demonstrate the versatility of SpodNet layers.
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: Arda Sarp Yenicesu, Furkan B. Mutlu, Suleyman S. Kozat, Ozgur S. Oguz
Abstract: The utilization of the experience replay mechanism enables agents to effectively leverage their experiences on several occasions. In previous studies, the sampling probability of the transitions was modified based on their relative significance. The process of reassigning sample probabilities for every transition in the replay buffer after each iteration is considered extremely inefficient. Hence, in order to enhance computing efficiency, experience replay prioritization algorithms reassess the importance of a transition as it is sampled. However, the relative importance of the transitions undergoes dynamic adjustments when the agent's policy and value function are iteratively updated. Furthermore, experience replay is a mechanism that retains the transitions generated by the agent's past policies, which could potentially diverge significantly from the agent's most recent policy. An increased deviation from the agent's most recent policy results in a greater frequency of off-policy updates, which has a negative impact on the agent's performance. In this paper, we develop a novel algorithm, Corrected Uniform Experience Replay (CUER), which stochastically samples the stored experience while considering the fairness among all other experiences without ignoring the dynamic nature of the transition importance by making sampled state distribution more on-policy. CUER provides promising improvements for off-policy continuous control algorithms in terms of sample efficiency, final performance, and stability of the policy during the training.
Authors: Pengyun Wang, Junyu Luo, Yanxin Shen, Siyu Heng, Xiao Luo
Abstract: Graph pooling has gained attention for its ability to obtain effective node and graph representations for various downstream tasks. Despite the recent surge in graph pooling approaches, there is a lack of standardized experimental settings and fair benchmarks to evaluate their performance. To address this issue, we have constructed a comprehensive benchmark that includes 15 graph pooling methods and 21 different graph datasets. This benchmark systematically assesses the performance of graph pooling methods in three dimensions, i.e., effectiveness, robustness, and generalizability. We first evaluate the performance of these graph pooling approaches across different tasks including graph classification, graph regression and node classification. Then, we investigate their performance under potential noise attacks and out-of-distribution shifts in real-world scenarios. We also involve detailed efficiency analysis and parameter analysis. Extensive experiments validate the strong capability and applicability of graph pooling approaches in various scenarios, which can provide valuable insights and guidance for deep geometric learning research. The source code of our benchmark is available at https://github.com/goose315/Graph_Pooling_Benchmark.
Authors: Yanming Guo, Jin Ma
Abstract: The Environmental Extended Multi-Regional Input-Output analysis is the predominant framework in Ecological Economics for assessing the environmental impact of economic activities. This paper introduces ExioML, the first Machine Learning benchmark dataset designed for sustainability analysis, aimed at lowering barriers and fostering collaboration between Machine Learning and Ecological Economics research. A crucial greenhouse gas emission regression task was conducted to evaluate sectoral sustainability and demonstrate the usability of the dataset. We compared the performance of traditional shallow models with deep learning models, utilizing a diverse Factor Accounting table and incorporating various categorical and numerical features. Our findings reveal that ExioML, with its high usability, enables deep and ensemble models to achieve low mean square errors, establishing a baseline for future Machine Learning research. Through ExioML, we aim to build a foundational dataset supporting various Machine Learning applications and promote climate actions and sustainable investment decisions.
Authors: Thijs van Ommen
Abstract: For causal discovery in the presence of latent confounders, constraints beyond conditional independences exist that can enable causal discovery algorithms to distinguish more pairs of graphs. Such constraints are not well-understood yet. In the setting of linear structural equation models without bows, we study algebraic constraints and argue that these provide the most fine-grained resolution achievable. We propose efficient algorithms that decide whether two graphs impose the same algebraic constraints, or whether the constraints imposed by one graph are a subset of those imposed by another graph.
Authors: Sohaib Younis, Bernhard Seeger
Abstract: Continual learning is a challenging problem in machine learning, especially for image classification tasks with imbalanced datasets. It becomes even more challenging when it involves learning new classes incrementally. One method for incremental class learning, addressing dataset imbalance, is rehearsal using previously stored data. In rehearsal-based methods, access to previous data is required for either training the classifier or the generator, but it may not be feasible due to storage, legal, or data access constraints. Although there are many rehearsal-free alternatives for class incremental learning, such as parameter or loss regularization, knowledge distillation, and dynamic architectures, they do not consistently achieve good results, especially on imbalanced data. This paper proposes a new approach called Data-Free Generative Replay (DFGR) for class incremental learning, where the generator is trained without access to real data. In addition, DFGR also addresses dataset imbalance in continual learning of an image classifier. Instead of using training data, DFGR trains a generator using mean and variance statistics of batch-norm and feature maps derived from a pre-trained classification model. The results of our experiments demonstrate that DFGR performs significantly better than other data-free methods and reveal the performance impact of specific parameter settings. DFGR achieves up to 88.5% and 46.6% accuracy on MNIST and FashionMNIST datasets, respectively. Our code is available at https://github.com/2younis/DFGR
Authors: Matteo Tiezzi, Michele Casoni, Alessandro Betti, Marco Gori, Stefano Melacci
Abstract: Effectively learning from sequential data is a longstanding goal of Artificial Intelligence, especially in the case of long sequences. From the dawn of Machine Learning, several researchers engaged in the search of algorithms and architectures capable of processing sequences of patterns, retaining information about the past inputs while still leveraging the upcoming data, without losing precious long-term dependencies and correlations. While such an ultimate goal is inspired by the human hallmark of continuous real-time processing of sensory information, several solutions simplified the learning paradigm by artificially limiting the processed context or dealing with sequences of limited length, given in advance. These solutions were further emphasized by the large ubiquity of Transformers, that have initially shaded the role of Recurrent Neural Nets. However, recurrent networks are facing a strong recent revival due to the growing popularity of (deep) State-Space models and novel instances of large-context Transformers, which are both based on recurrent computations to go beyond several limits of currently ubiquitous technologies. In fact, the fast development of Large Language Models enhanced the interest in efficient solutions to process data over time. This survey provides an in-depth summary of the latest approaches that are based on recurrent models for sequential data processing. A complete taxonomy over the latest trends in architectural and algorithmic solutions is reported and discussed, guiding researchers in this appealing research field. The emerging picture suggests that there is room for thinking of novel routes, constituted by learning algorithms which depart from the standard Backpropagation Through Time, towards a more realistic scenario where patterns are effectively processed online, leveraging local-forward computations, opening to further research on this topic.
Authors: Claude Formanek, Callum Rhys Tilbury, Louise Beyers, Jonathan Shock, Arnu Pretorius
Abstract: Offline multi-agent reinforcement learning (MARL) is an emerging field with great promise for real-world applications. Unfortunately, the current state of research in offline MARL is plagued by inconsistencies in baselines and evaluation protocols, which ultimately makes it difficult to accurately assess progress, trust newly proposed innovations, and allow researchers to easily build upon prior work. In this paper, we firstly identify significant shortcomings in existing methodologies for measuring the performance of novel algorithms through a representative study of published offline MARL work. Secondly, by directly comparing to this prior work, we demonstrate that simple, well-implemented baselines can achieve state-of-the-art (SOTA) results across a wide range of tasks. Specifically, we show that on 35 out of 47 datasets used in prior work (almost 75% of cases), we match or surpass the performance of the current purported SOTA. Strikingly, our baselines often substantially outperform these more sophisticated algorithms. Finally, we correct for the shortcomings highlighted from this prior work by introducing a straightforward standardised methodology for evaluation and by providing our baseline implementations with statistically robust results across several scenarios, useful for comparisons in future work. Our proposal includes simple and sensible steps that are easy to adopt, which in combination with solid baselines and comparative results, could substantially improve the overall rigour of empirical science in offline MARL moving forward.
Authors: Hubert Baniecki, Giuseppe Casalicchio, Bernd Bischl, Przemyslaw Biecek
Abstract: We study the robustness of global post-hoc explanations for predictive models trained on tabular data. Effects of predictor features in black-box supervised learning are an essential diagnostic tool for model debugging and scientific discovery in applied sciences. However, how vulnerable they are to data and model perturbations remains an open research question. We introduce several theoretical bounds for evaluating the robustness of partial dependence plots and accumulated local effects. Our experimental results with synthetic and real-world datasets quantify the gap between the best and worst-case scenarios of (mis)interpreting machine learning predictions globally.
Authors: Zahraa Al Sahili, Ioannis Patras, Matthew Purver
Abstract: In the domain of text-to-image generative models, the inadvertent propagation of biases inherent in training datasets poses significant ethical challenges, particularly in the generation of socially sensitive content. This paper introduces EquiPrompt, a novel method employing Chain of Thought (CoT) reasoning to reduce biases in text-to-image generative models. EquiPrompt uses iterative bootstrapping and bias-aware exemplar selection to balance creativity and ethical responsibility. It integrates iterative reasoning refinement with controlled evaluation techniques, addressing zero-shot CoT issues in sensitive contexts. Experiments on several generation tasks show EquiPrompt effectively lowers bias while maintaining generative quality, advancing ethical AI and socially responsible creative processes.Code will be publically available.
Authors: Jiahao Wu, Su Zhang, Yuxin Wu, Guihua Zhang, Xin Li, Hai Zhang
Abstract: Given the existence of various forward and inverse problems in combustion studies and applications that necessitate distinct methods for resolution, a framework to solve them in a unified way is critically needed. A promising approach is the integration of machine learning methods with governing equations of combustion systems, which exhibits superior generality and few-shot learning ability compared to purely data-driven methods. In this work, the FlamePINN-1D framework is proposed to solve the forward and inverse problems of 1D laminar flames based on physics-informed neural networks. Three cases with increasing complexity have been tested: Case 1 are freely-propagating premixed (FPP) flames with simplified physical models, while Case 2 and Case 3 are FPP and counterflow premixed (CFP) flames with detailed models, respectively. For forward problems, FlamePINN-1D aims to solve the flame fields and infer the unknown eigenvalues (such as laminar flame speeds) under the constraints of governing equations and boundary conditions. For inverse problems, FlamePINN-1D aims to reconstruct the continuous fields and infer the unknown parameters (such as transport and chemical kinetics parameters) from noisy sparse observations of the flame. Our results strongly validate these capabilities of FlamePINN-1D across various flames and working conditions. Compared to traditional methods, FlamePINN-1D is differentiable and mesh-free, exhibits no discretization errors, and is easier to implement for inverse problems. The inverse problem results also indicate the possibility of optimizing chemical mechanisms from measurements of laboratory 1D flames. Furthermore, some proposed strategies, such as hard constraints and thin-layer normalization, are proven to be essential for the robust learning of FlamePINN-1D. The code for this paper is partially available at https://github.com/CAME-THU/FlamePINN-1D.
Authors: Eleni Triantafillou, Peter Kairouz, Fabian Pedregosa, Jamie Hayes, Meghdad Kurmanji, Kairan Zhao, Vincent Dumoulin, Julio Jacques Junior, Ioannis Mitliagkas, Jun Wan, Lisheng Sun Hosoya, Sergio Escalera, Gintare Karolina Dziugaite, Peter Triantafillou, Isabelle Guyon
Abstract: We present the findings of the first NeurIPS competition on unlearning, which sought to stimulate the development of novel algorithms and initiate discussions on formal and robust evaluation methodologies. The competition was highly successful: nearly 1,200 teams from across the world participated, and a wealth of novel, imaginative solutions with different characteristics were contributed. In this paper, we analyze top solutions and delve into discussions on benchmarking unlearning, which itself is a research problem. The evaluation methodology we developed for the competition measures forgetting quality according to a formal notion of unlearning, while incorporating model utility for a holistic evaluation. We analyze the effectiveness of different instantiations of this evaluation framework vis-a-vis the associated compute cost, and discuss implications for standardizing evaluation. We find that the ranking of leading methods remains stable under several variations of this framework, pointing to avenues for reducing the cost of evaluation. Overall, our findings indicate progress in unlearning, with top-performing competition entries surpassing existing algorithms under our evaluation framework. We analyze trade-offs made by different algorithms and strengths or weaknesses in terms of generalizability to new datasets, paving the way for advancing both benchmarking and algorithm development in this important area.
Authors: Jacob E. Kooi, Mark Hoogendoorn, Vincent Fran\c{c}ois-Lavet
Abstract: Activation functions are one of the key components of a neural network. The most commonly used activation functions can be classed into the category of continuously differentiable (e.g. tanh) and linear-unit functions (e.g. ReLU), both having their own strengths and drawbacks with respect to downstream performance and representation capacity through learning (e.g. measured by the number of dead neurons and the effective rank). In reinforcement learning, the performance of continuously differentiable activations often falls short as compared to linear-unit functions. From the perspective of the activations in the last hidden layer, this paper provides insights regarding this sub-optimality and explores how activation functions influence the occurrence of dead neurons and the magnitude of the effective rank. Additionally, a novel neural architecture is proposed that leverages the product of independent activation values. In the Atari domain, we show faster learning, a reduction in dead neurons and increased effective rank.
Authors: Xuemin Hu, Shen Li, Yingfen Xu, Bo Tang, Long Chen
Abstract: Offline reinforcement learning (RL) can learn optimal policies from pre-collected offline datasets without interacting with the environment, but the sampled actions of the agent cannot often cover the action distribution under a given state, resulting in the extrapolation error issue. Recent works address this issue by employing generative adversarial networks (GANs). However, these methods often suffer from insufficient constraints on policy exploration and inaccurate representation of behavior policies. Moreover, the generator in GANs fails in fooling the discriminator while maximizing the expected returns of a policy. Inspired by the diffusion, a generative model with powerful feature expressiveness, we propose a new offline RL method named Diffusion Policies with Generative Adversarial Networks (DiffPoGAN). In this approach, the diffusion serves as the policy generator to generate diverse distributions of actions, and a regularization method based on maximum likelihood estimation (MLE) is developed to generate data that approximate the distribution of behavior policies. Besides, we introduce an additional regularization term based on the discriminator output to effectively constrain policy exploration for policy improvement. Comprehensive experiments are conducted on the datasets for deep data-driven reinforcement learning (D4RL), and experimental results show that DiffPoGAN outperforms state-of-the-art methods in offline RL.
Authors: Marcello Massimo Negri, Jonathan Aellen, Volker Roth
Abstract: Normalizing Flows (NFs) are powerful and efficient models for density estimation. When modeling densities on manifolds, NFs can be generalized to injective flows but the Jacobian determinant becomes computationally prohibitive. Current approaches either consider bounds on the log-likelihood or rely on some approximations of the Jacobian determinant. In contrast, we propose injective flows for parametric hypersurfaces and show that for such manifolds we can compute the Jacobian determinant exactly and efficiently, with the same cost as NFs. Furthermore, we show that for the subclass of star-like manifolds we can extend the proposed framework to always allow for a Cartesian representation of the density. We showcase the relevance of modeling densities on hypersurfaces in two settings. Firstly, we introduce a novel Objective Bayesian approach to penalized likelihood models by interpreting level-sets of the penalty as star-like manifolds. Secondly, we consider Bayesian mixture models and introduce a general method for variational inference by defining the posterior of mixture weights on the probability simplex.
Authors: Haoxin Liu, Harshavardhan Kamarthi, Lingkai Kong, Zhiyuan Zhao, Chao Zhang, B. Aditya Prakash
Abstract: Time-series forecasting (TSF) finds broad applications in real-world scenarios. Due to the dynamic nature of time-series data, it is crucial to equip TSF models with out-of-distribution (OOD) generalization abilities, as historical training data and future test data can have different distributions. In this paper, we aim to alleviate the inherent OOD problem in TSF via invariant learning. We identify fundamental challenges of invariant learning for TSF. First, the target variables in TSF may not be sufficiently determined by the input due to unobserved core variables in TSF, breaking the conventional assumption of invariant learning. Second, time-series datasets lack adequate environment labels, while existing environmental inference methods are not suitable for TSF. To address these challenges, we propose FOIL, a model-agnostic framework that enables timeseries Forecasting for Out-of-distribution generalization via Invariant Learning. FOIL employs a novel surrogate loss to mitigate the impact of unobserved variables. Further, FOIL implements a joint optimization by alternately inferring environments effectively with a multi-head network while preserving the temporal adjacency structure, and learning invariant representations across inferred environments for OOD generalized TSF. We demonstrate that the proposed FOIL significantly improves the performance of various TSF models, achieving gains of up to 85%.
Authors: M. P. S. G\^olo, J. G. B. M. Junior, D. F. Silva, R. M. Marcacini
Abstract: One-class learning (OCL) comprises a set of techniques applied when real-world problems have a single class of interest. The usual procedure for OCL is learning a hypersphere that comprises instances of this class and, ideally, repels unseen instances from any other classes. Besides, several OCL algorithms for graphs have been proposed since graph representation learning has succeeded in various fields. These methods may use a two-step strategy, initially representing the graph and, in a second step, classifying its nodes. On the other hand, end-to-end methods learn the node representations while classifying the nodes in one learning process. We highlight three main gaps in the literature on OCL for graphs: (i) non-customized representations for OCL; (ii) the lack of constraints on hypersphere parameters learning; and (iii) the methods' lack of interpretability and visualization. We propose One-cLass Graph Autoencoder (OLGA). OLGA is end-to-end and learns the representations for the graph nodes while encapsulating the interest instances by combining two loss functions. We propose a new hypersphere loss function to encapsulate the interest instances. OLGA combines this new hypersphere loss with the graph autoencoder reconstruction loss to improve model learning. OLGA achieved state-of-the-art results and outperformed six other methods with a statistically significant difference from five methods. Moreover, OLGA learns low-dimensional representations maintaining the classification performance with an interpretable model representation learning and results.
Authors: Steven H. Berguin
Abstract: Jacobian-Enhanced Neural Networks (JENN) are densely connected multi-layer perceptrons, whose training process is modified to predict partial derivatives accurately. Their main benefit is better accuracy with fewer training points compared to standard neural networks. These attributes are particularly desirable in the field of computer-aided design, where there is often the need to replace computationally expensive, physics-based models with fast running approximations, known as surrogate models or meta-models. Since a surrogate emulates the original model accurately in near-real time, it yields a speed benefit that can be used to carry out orders of magnitude more function calls quickly. However, in the special case of gradient-enhanced methods, there is the additional value proposition that partial derivatives are accurate, which is a critical property for one important use-case: surrogate-based optimization. This work derives the complete theory and exemplifies its superiority over standard neural nets for surrogate-based optimization.
Authors: Frederik Kelbel
Abstract: Ever since the concepts of dynamic programming were introduced, one of the most difficult challenges has been to adequately address high-dimensional control problems. With growing dimensionality, the utilisation of Deep Neural Networks promises to circumvent the issue of an otherwise exponentially increasing complexity. The paper specifically investigates the sampling issues the Deep Galerkin Method is subjected to. It proposes a drift relaxation-based sampling approach to alleviate the symptoms of high-variance policy approximations. This is validated on mean-field control problems; namely, the variations of the opinion dynamics presented by the Sznajd and the Hegselmann-Krause model. The resulting policies induce a significant cost reduction over manually optimised control functions and show improvements on the Linear-Quadratic Regulator problem over the Deep FBSDE approach.
Authors: Xu Tan, Junqi Chen, Sylwan Rahardja, Jiawei Yang, Susanto Rahardja
Abstract: Weakly-supervised anomaly detection can outperform existing unsupervised methods with the assistance of a very small number of labeled anomalies, which attracts increasing attention from researchers. However, existing weakly-supervised anomaly detection methods are limited as these methods do not factor in the multimodel nature of the real-world data distribution. To mitigate this, we propose the Weakly-supervised Variational-mixture-model-based Anomaly Detector (WVAD). WVAD excels in multimodal datasets. It consists of two components: a deep variational mixture model, and an anomaly score estimator. The deep variational mixture model captures various features of the data from different clusters, then these features are delivered to the anomaly score estimator to assess the anomaly levels. Experimental results on three real-world datasets demonstrate WVAD's superiority.
Authors: Orchid Chetia Phukan, Priyabrata Mallick, Swarup Ranjan Behera, Aalekhya Satya Narayani, Arun Balaji Buduru, Rajesh Sharma
Abstract: In this paper, we work towards extending Audio-Visual Question Answering (AVQA) to multilingual settings. Existing AVQA research has predominantly revolved around English and replicating it for addressing AVQA in other languages requires a substantial allocation of resources. As a scalable solution, we leverage machine translation and present two multilingual AVQA datasets for eight languages created from existing benchmark AVQA datasets. This prevents extra human annotation efforts of collecting questions and answers manually. To this end, we propose, MERA framework, by leveraging state-of-the-art (SOTA) video, audio, and textual foundation models for AVQA in multiple languages. We introduce a suite of models namely MERA-L, MERA-C, MERA-T with varied model architectures to benchmark the proposed datasets. We believe our work will open new research directions and act as a reference benchmark for future works in multilingual AVQA.
Authors: Stefan Schoepf, Jack Foster, Alexandra Brintrup
Abstract: Adversarial attacks by malicious actors on machine learning systems, such as introducing poison triggers into training datasets, pose significant risks. The challenge in resolving such an attack arises in practice when only a subset of the poisoned data can be identified. This necessitates the development of methods to remove, i.e. unlearn, poison triggers from already trained models with only a subset of the poison data available. The requirements for this task significantly deviate from privacy-focused unlearning where all of the data to be forgotten by the model is known. Previous work has shown that the undiscovered poisoned samples lead to a failure of established unlearning methods, with only one method, Selective Synaptic Dampening (SSD), showing limited success. Even full retraining, after the removal of the identified poison, cannot address this challenge as the undiscovered poison samples lead to a reintroduction of the poison trigger in the model. Our work addresses two key challenges to advance the state of the art in poison unlearning. First, we introduce a novel outlier-resistant method, based on SSD, that significantly improves model protection and unlearning performance. Second, we introduce Poison Trigger Neutralisation (PTN) search, a fast, parallelisable, hyperparameter search that utilises the characteristic "unlearning versus model protection" trade-off to find suitable hyperparameters in settings where the forget set size is unknown and the retain set is contaminated. We benchmark our contributions using ResNet-9 on CIFAR10 and WideResNet-28x10 on CIFAR100. Experimental results show that our method heals 93.72% of poison compared to SSD with 83.41% and full retraining with 40.68%. We achieve this while also lowering the average model accuracy drop caused by unlearning from 5.68% (SSD) to 1.41% (ours).
Authors: Qizhou Wang, Bo Han, Puning Yang, Jianing Zhu, Tongliang Liu, Masashi Sugiyama
Abstract: The compelling goal of eradicating undesirable data behaviors, while preserving usual model functioning, underscores the significance of machine unlearning within the domain of large language models (LLMs). Recent research has begun to approach LLM unlearning via gradient ascent (GA) -- increasing the prediction risk for those training strings targeted to be unlearned, thereby erasing their parameterized responses. Despite their simplicity and efficiency, we suggest that GA-based methods face the propensity towards excessive unlearning, resulting in various undesirable model behaviors, such as catastrophic forgetting, that diminish their practical utility. In this paper, we suggest a set of metrics that can capture multiple facets of real-world utility and propose several controlling methods that can regulate the extent of excessive unlearning. Accordingly, we suggest a general framework to better reflect the practical efficacy of various unlearning methods -- we begin by controlling the unlearning procedures/unlearned models such that no excessive unlearning occurs and follow by the evaluation for unlearning efficacy. Our experimental analysis on established benchmarks revealed that GA-based methods are far from perfect in practice, as strong unlearning is at the high cost of hindering the model utility. We conclude that there is still a long way towards practical and effective LLM unlearning, and more efforts are required in this field.
Authors: Zi-Hang Cheng, Haopu Shang, Chao Qian
Abstract: Network intrusion detection is one of the most important issues in the field of cyber security, and various machine learning techniques have been applied to build intrusion detection systems. However, since the number of features to describe the network connections is often large, where some features are redundant or noisy, feature selection is necessary in such scenarios, which can both improve the efficiency and accuracy. Recently, some researchers focus on using multi-objective evolutionary algorithms (MOEAs) to select features. But usually, they only consider the number of features and classification accuracy as the objectives, resulting in unsatisfactory performance on a critical metric, detection rate. This will lead to the missing of many real attacks and bring huge losses to the network system. In this paper, we propose DR-MOFS to model the feature selection problem in network intrusion detection as a three-objective optimization problem, where the number of features, accuracy and detection rate are optimized simultaneously, and use MOEAs to solve it. Experiments on two popular network intrusion detection datasets NSL-KDD and UNSW-NB15 show that in most cases the proposed method can outperform previous methods, i.e., lead to fewer features, higher accuracy and detection rate.
Authors: Zhen Xiang, Linzhi Zheng, Yanjie Li, Junyuan Hong, Qinbin Li, Han Xie, Jiawei Zhang, Zidi Xiong, Chulin Xie, Carl Yang, Dawn Song, Bo Li
Abstract: The rapid advancement of large language models (LLMs) has catalyzed the deployment of LLM-powered agents across numerous applications, raising new concerns regarding their safety and trustworthiness. Existing methods for enhancing the safety of LLMs are not directly transferable to LLM-powered agents due to their diverse objectives and output modalities. In this paper, we propose GuardAgent, the first LLM agent as a guardrail to other LLM agents. Specifically, GuardAgent oversees a target LLM agent by checking whether its inputs/outputs satisfy a set of given guard requests defined by the users. GuardAgent comprises two steps: 1) creating a task plan by analyzing the provided guard requests, and 2) generating guardrail code based on the task plan and executing the code by calling APIs or using external engines. In both steps, an LLM is utilized as the core reasoning component, supplemented by in-context demonstrations retrieved from a memory module. Such knowledge-enabled reasoning allows GuardAgent to understand various textual guard requests and accurately "translate" them into executable code that provides reliable guardrails. Furthermore, GuardAgent is equipped with an extendable toolbox containing functions and APIs and requires no additional LLM training, which underscores its generalization capabilities and low operational overhead. Additionally, we propose two novel benchmarks: an EICU-AC benchmark for assessing privacy-related access control for healthcare agents and a Mind2Web-SC benchmark for safety evaluation for web agents. We show the effectiveness of GuardAgent on these two benchmarks with 98.7% and 90.0% accuracy in moderating invalid inputs and outputs for the two types of agents, respectively. We also show that GuardAgent is able to define novel functions in adaption to emergent LLM agents and guard requests, which underscores its strong generalization capabilities.
Authors: Bruno Petrungaro, Neville K. Kitson, Anthony C. Constantinou
Abstract: Sepsis is a life-threatening and serious global health issue. This study combines knowledge with available hospital data to investigate the potential causes of Sepsis that can be affected by policy decisions. We investigate the underlying causal structure of this problem by combining clinical expertise with score-based, constraint-based, and hybrid structure learning algorithms. A novel approach to model averaging and knowledge-based constraints was implemented to arrive at a consensus structure for causal inference. The structure learning process highlighted the importance of exploring data-driven approaches alongside clinical expertise. This includes discovering unexpected, although reasonable, relationships from a clinical perspective. Hypothetical interventions on Chronic Obstructive Pulmonary Disease, Alcohol dependence, and Diabetes suggest that the presence of any of these risk factors in patients increases the likelihood of Sepsis. This finding, alongside measuring the effect of these risk factors on Sepsis, has potential policy implications. Recognising the importance of prediction in improving Sepsis related health outcomes, the model built is also assessed in its ability to predict Sepsis. The predictions generated by the consensus model were assessed for their accuracy, sensitivity, and specificity. These three indicators all had results around 70%, and the AUC was 80%, which means the causal structure of the model is reasonably accurate given that the models were trained on data available for commissioning purposes only.
Authors: Yuchi Liu, Yifan Sun, Jingdong Wang, Liang Zheng
Abstract: This paper evaluates the generalization ability of classification models on out-of-distribution test sets without depending on ground truth labels. Common approaches often calculate an unsupervised metric related to a specific model property, like confidence or invariance, which correlates with out-of-distribution accuracy. However, these metrics are typically computed for each test sample individually, leading to potential issues caused by spurious model responses, such as overly high or low confidence. To tackle this challenge, we propose incorporating responses from neighboring test samples into the correctness assessment of each individual sample. In essence, if a model consistently demonstrates high correctness scores for nearby samples, it increases the likelihood of correctly predicting the target sample, and vice versa. The resulting scores are then averaged across all test samples to provide a holistic indication of model accuracy. Developed under the vicinal risk formulation, this approach, named vicinal risk proxy (VRP), computes accuracy without relying on labels. We show that applying the VRP method to existing generalization indicators, such as average confidence and effective invariance, consistently improves over these baselines both methodologically and experimentally. This yields a stronger correlation with model accuracy, especially on challenging out-of-distribution test sets.
Authors: Spencer Young, Porter Jenkins, Lonchao Da, Jeff Dotson, Hua Wei
Abstract: Neural networks that can produce accurate, input-conditional uncertainty representations are critical for real-world applications. Recent progress on heteroscedastic continuous regression has shown great promise for calibrated uncertainty quantification on complex tasks, like image regression. However, when these methods are applied to discrete regression tasks, such as crowd counting, ratings prediction, or inventory estimation, they tend to produce predictive distributions with numerous pathologies. We propose to address these issues by training a neural network to output the parameters of a Double Poisson distribution, which we call the Deep Double Poisson Network (DDPN). In contrast to existing methods that are trained to minimize Gaussian negative log likelihood (NLL), DDPNs produce a proper probability mass function over discrete output. Additionally, DDPNs naturally model under-, over-, and equi-dispersion, unlike networks trained with the more rigid Poisson and Negative Binomial parameterizations. We show DDPNs 1) vastly outperform existing discrete models; 2) meet or exceed the accuracy and flexibility of networks trained with Gaussian NLL; 3) produce proper predictive distributions over discrete counts; and 4) exhibit superior out-of-distribution detection. DDPNs can easily be applied to a variety of count regression datasets including tabular, image, point cloud, and text data.
Authors: Jinbin Zhang, Nasib Ullah, Rohit Babbar
Abstract: Extreme Multi-label Learning (XMC) is a task that allocates the most relevant labels for an instance from a predefined label set. Extreme Zero-shot XMC (EZ-XMC) is a special setting of XMC wherein no supervision is provided; only the instances (raw text of the document) and the predetermined label set are given. The scenario is designed to address cold-start problems in categorization and recommendation. Traditional state-of-the-art methods extract pseudo labels from the document title or segments. These labels from the document are used to train a zero-shot bi-encoder model. The main issue with these generated labels is their misalignment with the tagging task. In this work, we propose a framework to train a small bi-encoder model via the feedback from the large language model (LLM), the bi-encoder model encodes the document and labels into embeddings for retrieval. Our approach leverages the zero-shot ability of LLM to assess the correlation between labels and the document instead of using the low-quality labels extracted from the document itself. Our method also guarantees fast inference without the involvement of LLM. The performance of our approach outperforms the SOTA methods on various datasets while retaining a similar training time for large datasets.
Authors: Guy Bar-Shalom, Yam Eitan, Fabrizio Frasca, Haggai Maron
Abstract: Subgraph Graph Neural Networks (Subgraph GNNs) enhance the expressivity of message-passing GNNs by representing graphs as sets of subgraphs. They have shown impressive performance on several tasks, but their complexity limits applications to larger graphs. Previous approaches suggested processing only subsets of subgraphs, selected either randomly or via learnable sampling. However, they make suboptimal subgraph selections or can only cope with very small subset sizes, inevitably incurring performance degradation. This paper introduces a new Subgraph GNNs framework to address these issues. We employ a graph coarsening function to cluster nodes into super-nodes with induced connectivity. The product between the coarsened and the original graph reveals an implicit structure whereby subgraphs are associated with specific sets of nodes. By running generalized message-passing on such graph product, our method effectively implements an efficient, yet powerful Subgraph GNN. Controlling the coarsening function enables meaningful selection of any number of subgraphs while, contrary to previous methods, being fully compatible with standard training techniques. Notably, we discover that the resulting node feature tensor exhibits new, unexplored permutation symmetries. We leverage this structure, characterize the associated linear equivariant layers and incorporate them into the layers of our Subgraph GNN architecture. Extensive experiments on multiple graph learning benchmarks demonstrate that our method is significantly more flexible than previous approaches, as it can seamlessly handle any number of subgraphs, while consistently outperforming baseline approaches.
Authors: Th\'eo Moutakanni, Maxime Oquab, Marc Szafraniec, Maria Vakalopoulou, Piotr Bojanowski
Abstract: Self-Supervised learning (SSL) with Joint-Embedding Architectures (JEA) has led to outstanding performances. All instantiations of this paradigm were trained using strong and well-established hand-crafted data augmentations, leading to the general belief that they are required for the proper training and performance of such models. On the other hand, generative reconstruction-based models such as BEIT and MAE or Joint-Embedding Predictive Architectures such as I-JEPA have shown strong performance without using data augmentations except masking. In this work, we challenge the importance of invariance and data-augmentation in JEAs at scale. By running a case-study on a recent SSL foundation model - DINOv2 - we show that strong image representations can be obtained with JEAs and only cropping without resizing provided the training data is large enough, reaching state-of-the-art results and using the least amount of augmentation in the literature. Through this study, we also discuss the impact of compute constraints on the outcomes of experimental deep learning research, showing that they can lead to very different conclusions.
Authors: Zayd Muhammad Kawakibi Zuhri, Muhammad Farid Adilazuarda, Ayu Purwarianti, Alham Fikri Aji
Abstract: Auto-regressive inference of transformers benefit greatly from Key-Value (KV) caching, but can lead to major memory bottlenecks as model size, batch size, and sequence length grow at scale. We introduce Multi-Layer Key-Value (MLKV) sharing, a novel approach extending KV sharing across transformer layers to reduce memory usage beyond what was possible with Multi-Query Attention (MQA) and Grouped-Query Attention (GQA). Evaluations on various NLP benchmarks and inference metrics using uptrained Pythia-160M variants demonstrate that MLKV significantly reduces memory usage with minimal performance loss, reducing KV cache size down to a factor of 6x compared to MQA. These results highlight MLKV's potential for efficient deployment of transformer models at scale. We provide code at https://github.com/zaydzuhri/pythia-mlkv
Authors: Jianhui Gao, Benson Chou, Zachary R. McCaw, Hilary Thurston, Paul Varghese, Chuan Hong, Jessica Gronsbell
Abstract: OBJECTIVE: Ensuring that machine learning (ML) algorithms are safe and effective within all patient groups, and do not disadvantage particular patients, is essential to clinical decision making and preventing the reinforcement of existing healthcare inequities. The objective of this tutorial is to introduce the medical informatics community to the common notions of fairness within ML, focusing on clinical applications and implementation in practice. TARGET AUDIENCE: As gaps in fairness arise in a variety of healthcare applications, this tutorial is designed to provide an understanding of fairness, without assuming prior knowledge, to researchers and clinicians who make use of modern clinical data. SCOPE: We describe the fundamental concepts and methods used to define fairness in ML, including an overview of why models in healthcare may be unfair, a summary and comparison of the metrics used to quantify fairness, and a discussion of some ongoing research. We illustrate some of the fairness methods introduced through a case study of mortality prediction in a publicly available electronic health record dataset. Finally, we provide a user-friendly R package for comprehensive group fairness evaluation, enabling researchers and clinicians to assess fairness in their own ML work.
Authors: Yavar Taheri Yeganeh, Mohsen Jafari, Andrea Matta
Abstract: We investigate the application of active inference in developing energy-efficient control agents for manufacturing systems. Active inference, rooted in neuroscience, provides a unified probabilistic framework integrating perception, learning, and action, with inherent uncertainty quantification elements. Our study explores deep active inference, an emerging field that combines deep learning with the active inference decision-making framework. Leveraging a deep active inference agent, we focus on controlling parallel and identical machine workstations to enhance energy efficiency. We address challenges posed by the problem's stochastic nature and delayed policy response by introducing tailored enhancements to existing agent architectures. Specifically, we introduce multi-step transition and hybrid horizon methods to mitigate the need for complex planning. Our experimental results demonstrate the effectiveness of these enhancements and highlight the potential of the active inference-based approach.
Authors: Seohong Park, Kevin Frans, Sergey Levine, Aviral Kumar
Abstract: While imitation learning requires access to high-quality data, offline reinforcement learning (RL) should, in principle, perform similarly or better with substantially lower data quality by using a value function. However, current results indicate that offline RL often performs worse than imitation learning, and it is often unclear what holds back the performance of offline RL. Motivated by this observation, we aim to understand the bottlenecks in current offline RL algorithms. While poor performance of offline RL is typically attributed to an imperfect value function, we ask: is the main bottleneck of offline RL indeed in learning the value function, or something else? To answer this question, we perform a systematic empirical study of (1) value learning, (2) policy extraction, and (3) policy generalization in offline RL problems, analyzing how these components affect performance. We make two surprising observations. First, we find that the choice of a policy extraction algorithm significantly affects the performance and scalability of offline RL, often more so than the value learning objective. For instance, we show that common value-weighted behavioral cloning objectives (e.g., AWR) do not fully leverage the learned value function, and switching to behavior-constrained policy gradient objectives (e.g., DDPG+BC) often leads to substantial improvements in performance and scalability. Second, we find that a big barrier to improving offline RL performance is often imperfect policy generalization on test-time states out of the support of the training data, rather than policy learning on in-distribution states. We then show that the use of suboptimal but high-coverage data or test-time policy training techniques can address this generalization issue in practice. Specifically, we propose two simple test-time policy improvement methods and show that these methods lead to better performance.
Authors: Smita Bagewadi, Avhishek Chatterjee
Abstract: Motivated by multiple applications in social networks, nervous systems, and financial risk analysis, we consider the problem of learning the underlying (directed) influence graph or causal graph of a high-dimensional multivariate discrete-time Markov process with memory. At any discrete time instant, each observed variable of the multivariate process is a binary string of random length, which is parameterized by an unobservable or hidden [0,1]-valued scalar. The hidden scalars corresponding to the variables evolve according to discrete-time linear stochastic dynamics dictated by the underlying influence graph whose nodes are the variables. We extend an existing algorithm for learning i.i.d. graphical models to this Markovian setting with memory and prove that it can learn the influence graph based on the binary observations using logarithmic (in number of variables or nodes) samples when the degree of the influence graph is bounded. The crucial analytical contribution of this work is the derivation of the sample complexity result by upper and lower bounding the rate of convergence of the observed Markov process with memory to its stationary distribution in terms of the parameters of the influence graph.
Authors: \'Alvaro Ciudad, Adri\'an Morales-Pastor, Laura Malo, Isaac Filella-Merc\`e, Victor Guallar, Alexis Molina
Abstract: In this study, we present ScoreFormer, a novel graph transformer model designed to accurately predict molecular docking scores, thereby optimizing high-throughput virtual screening (HTVS) in drug discovery. The architecture integrates Principal Neighborhood Aggregation (PNA) and Learnable Random Walk Positional Encodings (LRWPE), enhancing the model's ability to understand complex molecular structures and their relationship with their respective docking scores. This approach significantly surpasses traditional HTVS methods and recent Graph Neural Network (GNN) models in both recovery and efficiency due to a wider coverage of the chemical space and enhanced performance. Our results demonstrate that ScoreFormer achieves competitive performance in docking score prediction and offers a substantial 1.65-fold reduction in inference time compared to existing models. We evaluated ScoreFormer across multiple datasets under various conditions, confirming its robustness and reliability in identifying potential drug candidates rapidly.
Authors: Satwik Bhattamishra, Michael Hahn, Phil Blunsom, Varun Kanade
Abstract: Transformer architectures have been widely adopted in foundation models. Due to their high inference costs, there is renewed interest in exploring the potential of efficient recurrent architectures (RNNs). In this paper, we analyze the differences in the representational capabilities of Transformers and RNNs across several tasks of practical relevance, including index lookup, nearest neighbor, recognizing bounded Dyck languages, and string equality. For the tasks considered, our results show separations based on the size of the model required for different architectures. For example, we show that a one-layer Transformer of logarithmic width can perform index lookup, whereas an RNN requires a hidden state of linear size. Conversely, while constant-size RNNs can recognize bounded Dyck languages, we show that one-layer Transformers require a linear size for this task. Furthermore, we show that two-layer Transformers of logarithmic size can perform decision tasks such as string equality or disjointness, whereas both one-layer Transformers and recurrent models require linear size for these tasks. We also show that a log-size two-layer Transformer can implement the nearest neighbor algorithm in its forward pass; on the other hand recurrent models require linear size. Our constructions are based on the existence of $N$ nearly orthogonal vectors in $O(\log N)$ dimensional space and our lower bounds are based on reductions from communication complexity problems. We supplement our theoretical results with experiments that highlight the differences in the performance of these architectures on practical-size sequences.
Authors: Hoang Phan, Lam Tran, Quyen Tran, Trung Le
Abstract: Prior Unsupervised Domain Adaptation (UDA) methods often aim to train a domain-invariant feature extractor, which may hinder the model from learning sufficiently discriminative features. To tackle this, a line of works based on prompt learning leverages the power of large-scale pre-trained vision-language models to learn both domain-invariant and specific features through a set of domain-agnostic and domain-specific learnable prompts. Those studies typically enforce invariant constraints on representation, output, or prompt space to learn such prompts. Differently, we cast UDA as a multiple-objective optimization problem in which each objective is represented by a domain loss. Under this new framework, we propose aligning per-objective gradients to foster consensus between them. Additionally, to prevent potential overfitting when fine-tuning this deep learning architecture, we penalize the norm of these gradients. To achieve these goals, we devise a practical gradient update procedure that can work under both single-source and multi-source UDA. Empirically, our method consistently surpasses other prompt-based baselines by a large margin on different UDA benchmarks
Authors: Yilin He, Xinyang Liu, Bo Chen, Mingyuan Zhou
Abstract: Diffusion models have demonstrated effectiveness in generating natural images and have been extended to generate diverse data types, including graphs. This new generation of diffusion-based graph generative models has demonstrated significant performance improvements over methods that rely on variational autoencoders or generative adversarial networks. It's important to recognize, however, that most of these models employ Gaussian or categorical diffusion processes, which can struggle with sparse and long-tailed data distributions. In our work, we introduce Graph Beta Diffusion (GBD), a diffusion-based generative model particularly adept at capturing diverse graph structures. GBD utilizes a beta diffusion process, tailored for the sparse and range-bounded characteristics of graph adjacency matrices. Furthermore, we have developed a modulation technique that enhances the realism of the generated graphs by stabilizing the generation of critical graph structures, while preserving flexibility elsewhere. The outstanding performance of GBD across three general graph benchmarks and two biochemical graph benchmarks highlights its capability to effectively capture the complexities of real-world graph data. The code will be made available at https://github.com/YH-UtMSB/Graph_Beta_Diffusion
Authors: Sumukh K Aithal, Pratyush Maini, Zachary C. Lipton, J. Zico Kolter
Abstract: Colloquially speaking, image generation models based upon diffusion processes are frequently said to exhibit "hallucinations," samples that could never occur in the training data. But where do such hallucinations come from? In this paper, we study a particular failure mode in diffusion models, which we term mode interpolation. Specifically, we find that diffusion models smoothly "interpolate" between nearby data modes in the training set, to generate samples that are completely outside the support of the original training distribution; this phenomenon leads diffusion models to generate artifacts that never existed in real data (i.e., hallucinations). We systematically study the reasons for, and the manifestation of this phenomenon. Through experiments on 1D and 2D Gaussians, we show how a discontinuous loss landscape in the diffusion model's decoder leads to a region where any smooth approximation will cause such hallucinations. Through experiments on artificial datasets with various shapes, we show how hallucination leads to the generation of combinations of shapes that never existed. Finally, we show that diffusion models in fact know when they go out of support and hallucinate. This is captured by the high variance in the trajectory of the generated sample towards the final few backward sampling process. Using a simple metric to capture this variance, we can remove over 95% of hallucinations at generation time while retaining 96% of in-support samples. We conclude our exploration by showing the implications of such hallucination (and its removal) on the collapse (and stabilization) of recursive training on synthetic data with experiments on MNIST and 2D Gaussians dataset. We release our code at https://github.com/locuslab/diffusion-model-hallucination.
URLs: https://github.com/locuslab/diffusion-model-hallucination.
Authors: Rylan Schaeffer, Victor Lecomte, Dhruv Bhandarkar Pai, Andres Carranza, Berivan Isik, Alyssa Unell, Mikail Khona, Thomas Yerxa, Yann LeCun, SueYeon Chung, Andrey Gromov, Ravid Shwartz-Ziv, Sanmi Koyejo
Abstract: Maximum Manifold Capacity Representations (MMCR) is a recent multi-view self-supervised learning (MVSSL) method that matches or surpasses other leading MVSSL methods. MMCR is intriguing because it does not fit neatly into any of the commonplace MVSSL lineages, instead originating from a statistical mechanical perspective on the linear separability of data manifolds. In this paper, we seek to improve our understanding and our utilization of MMCR. To better understand MMCR, we leverage tools from high dimensional probability to demonstrate that MMCR incentivizes alignment and uniformity of learned embeddings. We then leverage tools from information theory to show that such embeddings maximize a well-known lower bound on mutual information between views, thereby connecting the geometric perspective of MMCR to the information-theoretic perspective commonly discussed in MVSSL. To better utilize MMCR, we mathematically predict and experimentally confirm non-monotonic changes in the pretraining loss akin to double descent but with respect to atypical hyperparameters. We also discover compute scaling laws that enable predicting the pretraining loss as a function of gradients steps, batch size, embedding dimension and number of views. We then show that MMCR, originally applied to image data, is performant on multimodal image-text data. By more deeply understanding the theoretical and empirical behavior of MMCR, our work reveals insights on improving MVSSL methods.
Authors: Lior Friedman, Ron Meir
Abstract: In continual learning, knowledge must be preserved and re-used between tasks, maintaining good transfer to future tasks and minimizing forgetting of previously learned ones. While several practical algorithms have been devised for this setting, there have been few theoretical works aiming to quantify and bound the degree of Forgetting in general settings. We provide both data-dependent and oracle upper bounds that apply regardless of model and algorithm choice, as well as bounds for Gibbs posteriors. We derive an algorithm inspired by our bounds and demonstrate empirically that our approach yields improved forward and backward transfer.
Authors: Lukas Thede, Karsten Roth, Olivier J. H\'enaff, Matthias Bethge, Zeynep Akata
Abstract: With the advent and recent ubiquity of foundation models, continual learning (CL) has recently shifted from continual training from scratch to the continual adaptation of pretrained models, seeing particular success on rehearsal-free CL benchmarks (RFCL). To achieve this, most proposed methods adapt and restructure parameter-efficient finetuning techniques (PEFT) to suit the continual nature of the problem. Based most often on input-conditional query-mechanisms or regularizations on top of prompt- or adapter-based PEFT, these PEFT-style RFCL (P-RFCL) approaches report peak performances; often convincingly outperforming existing CL techniques. However, on the other end, critical studies have recently highlighted competitive results by training on just the first task or via simple non-parametric baselines. Consequently, questions arise about the relationship between methodological choices in P-RFCL and their reported high benchmark scores. In this work, we tackle these questions to better understand the true drivers behind strong P-RFCL performances, their placement w.r.t. recent first-task adaptation studies, and their relation to preceding CL standards such as EWC or SI. In particular, we show: (1) P-RFCL techniques relying on input-conditional query mechanisms work not because, but rather despite them by collapsing towards standard PEFT shortcut solutions. (2) Indeed, we show how most often, P-RFCL techniques can be matched by a simple and lightweight PEFT baseline. (3) Using this baseline, we identify the implicit bound on tunable parameters when deriving RFCL approaches from PEFT methods as a potential denominator behind P-RFCL efficacy. Finally, we (4) better disentangle continual versus first-task adaptation, and (5) motivate standard RFCL techniques s.a. EWC or SI in light of recent P-RFCL methods.
Authors: David Zagardo
Abstract: Machine learning models often incorporate vast amounts of data, raising significant privacy concerns. Machine unlearning, the ability to remove the influence of specific data points from a trained model, addresses these concerns. This paper explores practical methods for implementing machine unlearning, focusing on a first-epoch gradient-ascent approach. Key findings include: 1. Single vs. Multi-Epoch Unlearning: First-epoch gradient unlearning is more effective than multi-epoch gradients. 2. Layer-Based Unlearning: The embedding layer in GPT-2 is crucial for effective unlearning. Gradients from the output layers (11 and 12) have no impact. Efficient unlearning can be achieved using only the embedding layer, halving space complexity. 3. Influence Functions & Scoring: Techniques like Hessian Vector Product and the dot product of activations and tensors are used for quantifying unlearning. 4. Gradient Ascent Considerations: Calibration is necessary to avoid overexposing the model to specific data points during unlearning, which could prematurely terminate the process. 5. Fuzzy Matching vs. Iterative Unlearning: Fuzzy matching techniques shift the model to a new optimum, while iterative unlearning provides a more complete modality. Our empirical evaluation confirms that first-epoch gradient ascent for machine unlearning is more effective than whole-model gradient ascent. These results highlight the potential of machine unlearning for enhancing data privacy and compliance with regulations such as GDPR and CCPA. The study underscores the importance of formal methods to comprehensively evaluate the unlearning process.
Authors: Dayal Singh Kalra, Maissam Barkeshli
Abstract: It is common in deep learning to warm up the learning rate $\eta$, often by a linear schedule between $\eta_{\text{init}} = 0$ and a predetermined target $\eta_{\text{trgt}}$. In this paper, we show through systematic experiments using SGD and Adam that the overwhelming benefit of warmup arises from allowing the network to tolerate larger $\eta_{\text{trgt}}$ by forcing the network to more well-conditioned areas of the loss landscape. The ability to handle larger $\eta_{\text{trgt}}$ makes hyperparameter tuning more robust while improving the final performance. We uncover different regimes of operation during the warmup period, depending on whether training starts off in a progressive sharpening or sharpness reduction phase, which in turn depends on the initialization and parameterization. Using these insights, we show how $\eta_{\text{init}}$ can be properly chosen by utilizing the loss catapult mechanism, which saves on the number of warmup steps, in some cases completely eliminating the need for warmup. We also suggest an initialization for the variance in Adam which provides benefits similar to warmup.
Authors: Micha{\l} Koziarski, Andrei Rekesh, Dmytro Shevchuk, Almer van der Sloot, Piotr Gai\'nski, Yoshua Bengio, Cheng-Hao Liu, Mike Tyers, Robert A. Batey
Abstract: Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.
Authors: Amira Alakhdar, Barnabas Poczos, Newell Washburn
Abstract: Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with specific properties or requirements crucial to drug discovery. Diffusion models were particularly successful at learning 3D molecular geometries' complex probability distributions and their corresponding chemical and physical properties through forward and reverse diffusion processes. This review focuses on the technical implementation of diffusion models tailored for 3D molecular generation. It compares the performance, evaluation methods, and implementation details of various diffusion models used for molecular generation tasks. We cover strategies for atom and bond representation, architectures of reverse diffusion denoising networks, and challenges associated with generating stable 3D molecular structures. This review also explores the applications of diffusion models in $\textit{de novo}$ drug design and related areas of computational chemistry, such as structure-based drug design, including target-specific molecular generation, molecular docking, and molecular dynamics of protein-ligand complexes. We also cover conditional generation on physical properties, conformation generation, and fragment-based drug design. By summarizing the state-of-the-art diffusion models for 3D molecular generation, this review sheds light on their role in advancing drug discovery as well as their current limitations.
Authors: Asim Waqas, Aakash Tripathi, Paul Stewart, Mia Naeini, Ghulam Rasool
Abstract: Cancer clinics capture disease data at various scales, from genetic to organ level. Current bioinformatic methods struggle to handle the heterogeneous nature of this data, especially with missing modalities. We propose PARADIGM, a Graph Neural Network (GNN) framework that learns from multimodal, heterogeneous datasets to improve clinical outcome prediction. PARADIGM generates embeddings from multi-resolution data using foundation models, aggregates them into patient-level representations, fuses them into a unified graph, and enhances performance for tasks like survival analysis. We train GNNs on pan-Squamous Cell Carcinomas and validate our approach on Moffitt Cancer Center lung SCC data. Multimodal GNN outperforms other models in patient survival prediction. Converging individual data modalities across varying scales provides a more insightful disease view. Our solution aims to understand the patient's circumstances comprehensively, offering insights on heterogeneous data integration and the benefits of converging maximum data views.
Authors: Bin Xiang, Bogdan Cautis, Xiaokui Xiao, Olga Mula, Dusit Niyato, Laks V. S. Lakshmanan
Abstract: In this paper, we study cascading failures in power grids through the lens of information diffusion models. Similar to the spread of rumors or influence in an online social network, it has been observed that failures (outages) in a power grid can spread contagiously, driven by viral spread mechanisms. We employ a stochastic diffusion model that is Markovian (memoryless) and local (the activation of one node, i.e., transmission line, can only be caused by its neighbors). Our model integrates viral diffusion principles with physics-based concepts, by correlating the diffusion weights (contagion probabilities between transmission lines) with the hyperparametric Information Cascades (IC) model. We show that this diffusion model can be learned from traces of cascading failures, enabling accurate modeling and prediction of failure propagation. This approach facilitates actionable information through well-understood and efficient graph analysis methods and graph diffusion simulations. Furthermore, by leveraging the hyperparametric model, we can predict diffusion and mitigate the risks of cascading failures even in unseen grid configurations, whereas existing methods falter due to a lack of training data. Extensive experiments based on a benchmark power grid and simulations therein show that our approach effectively captures the failure diffusion phenomena and guides decisions to strengthen the grid, reducing the risk of large-scale cascading failures. Additionally, we characterize our model's sample complexity, improving upon the existing bound.
Authors: Jaeyeon Jang, Young-Ik Kim, Jisu Lim, Hyeonseong Lee
Abstract: Knowledge distillation (KD) is a technique used to transfer knowledge from an overparameterized teacher network to a less-parameterized student network, thereby minimizing the incurred performance loss. KD methods can be categorized into offline and online approaches. Offline KD leverages a powerful pretrained teacher network, while online KD allows the teacher network to be adjusted dynamically to enhance the learning effectiveness of the student network. Recently, it has been discovered that sharing the classifier of the teacher network can significantly boost the performance of the student network with only a minimal increase in the number of network parameters. Building on these insights, we propose adaptive teaching with a shared classifier (ATSC). In ATSC, the pretrained teacher network self-adjusts to better align with the learning needs of the student network based on its capabilities, and the student network benefits from the shared classifier, enhancing its performance. Additionally, we extend ATSC to environments with multiple teachers. We conduct extensive experiments, demonstrating the effectiveness of the proposed KD method. Our approach achieves state-of-the-art results on the CIFAR-100 and ImageNet datasets in both single-teacher and multiteacher scenarios, with only a modest increase in the number of required model parameters. The source code is publicly available at https://github.com/random2314235/ATSC.
Authors: Rachel Brower-Sinning, Grace A. Lewis, Sebast\'ian Echeverr\'ia, Ipek Ozkaya
Abstract: Testing of machine learning (ML) models is a known challenge identified by researchers and practitioners alike. Unfortunately, current practice for ML model testing prioritizes testing for model performance, while often neglecting the requirements and constraints of the ML-enabled system that integrates the model. This limited view of testing leads to failures during integration, deployment, and operations, contributing to the difficulties of moving models from development to production. This paper presents an approach based on quality attribute (QA) scenarios to elicit and define system- and model-relevant test cases for ML models. The QA-based approach described in this paper has been integrated into MLTE, a process and tool to support ML model test and evaluation. Feedback from users of MLTE highlights its effectiveness in testing beyond model performance and identifying failures early in the development process.
Authors: Xiaoshuai Song, Muxi Diao, Guanting Dong, Zhengyang Wang, Yujia Fu, Runqi Qiao, Zhexu Wang, Dayuan Fu, Huangxuan Wu, Bin Liang, Weihao Zeng, Yejie Wang, Zhuoma GongQue, Jianing Yu, Qiuna Tan, Weiran Xu
Abstract: Computer Science (CS) stands as a testament to the intricacies of human intelligence, profoundly advancing the development of artificial intelligence and modern society. However, the current community of large language models (LLMs) overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first bilingual (Chinese-English) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 5K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.
Authors: Juan E. Ardila-Garc\'ia, Vladimir Vargas-Calder\'on, Fabio A. Gonz\'alez, Diego H. Useche, Herbert Vinck-Posada
Abstract: This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm (DMKDE) for density estimation and a circuit optimisation routine based on memetic algorithms. The model maps a training dataset to a quantum state represented by a density matrix through a quantum feature map. This training state encodes the probability distribution of the dataset in a quantum state, such that the density of a new sample can be estimated by projecting its corresponding quantum state onto the training state. We propose the application of a memetic algorithm to find the architecture and parameters of a variational quantum circuit that implements the quantum feature map, along with a variational learning strategy to prepare the training state. Demonstrations of the proposed strategy show an accurate approximation of the Gaussian kernel density estimation method through shallow quantum circuits illustrating the feasibility of the algorithm for near-term quantum hardware.
Authors: Efe Ozturk, Mohit Prabhushankar, Ghassan AlRegib
Abstract: In this study, we introduce an intelligent Test Time Augmentation (TTA) algorithm designed to enhance the robustness and accuracy of image classification models against viewpoint variations. Unlike traditional TTA methods that indiscriminately apply augmentations, our approach intelligently selects optimal augmentations based on predictive uncertainty metrics. This selection is achieved via a two-stage process: the first stage identifies the optimal augmentation for each class by evaluating uncertainty levels, while the second stage implements an uncertainty threshold to determine when applying TTA would be advantageous. This methodological advancement ensures that augmentations contribute to classification more effectively than a uniform application across the dataset. Experimental validation across several datasets and neural network architectures validates our approach, yielding an average accuracy improvement of 1.73% over methods that use single-view images. This research underscores the potential of adaptive, uncertainty-aware TTA in improving the robustness of image classification in the presence of viewpoint variations, paving the way for further exploration into intelligent augmentation strategies.
Authors: George Cazenavette, Avneesh Sud, Thomas Leung, Ben Usman
Abstract: Due to the high potential for abuse of GenAI systems, the task of detecting synthetic images has recently become of great interest to the research community. Unfortunately, existing image-space detectors quickly become obsolete as new high-fidelity text-to-image models are developed at blinding speed. In this work, we propose a new synthetic image detector that uses features obtained by inverting an open-source pre-trained Stable Diffusion model. We show that these inversion features enable our detector to generalize well to unseen generators of high visual fidelity (e.g., DALL-E 3) even when the detector is trained only on lower fidelity fake images generated via Stable Diffusion. This detector achieves new state-of-the-art across multiple training and evaluation setups. Moreover, we introduce a new challenging evaluation protocol that uses reverse image search to mitigate stylistic and thematic biases in the detector evaluation. We show that the resulting evaluation scores align well with detectors' in-the-wild performance, and release these datasets as public benchmarks for future research.
Authors: Ayush Roy, Payel Pramanik, Sohom Ghosal, Daria Valenkova, Dmitrii Kaplun, Ram Sarkar
Abstract: Breast cancer is a major global health concern. Pathologists face challenges in analyzing complex features from pathological images, which is a time-consuming and labor-intensive task. Therefore, efficient computer-based diagnostic tools are needed for early detection and treatment planning. This paper presents a modified version of MultiResU-Net for histopathology image segmentation, which is selected as the backbone for its ability to analyze and segment complex features at multiple scales and ensure effective feature flow via skip connections. The modified version also utilizes the Gaussian distribution-based Attention Module (GdAM) to incorporate histopathology-relevant text information in a Gaussian distribution. The sampled features from the Gaussian text feature-guided distribution highlight specific spatial regions based on prior knowledge. Finally, using the Controlled Dense Residual Block (CDRB) on skip connections of MultiResU-Net, the information is transferred from the encoder layers to the decoder layers in a controlled manner using a scaling parameter derived from the extracted spatial features. We validate our approach on two diverse breast cancer histopathology image datasets: TNBC and MonuSeg, demonstrating superior segmentation performance compared to state-of-the-art methods. The code for our proposed model is available on https://github.com/AyushRoy2001/GRU-Net.
Authors: Maria Pilligua, Nil Biescas, Javier Vazquez-Corral, Josep Llad\'os, Ernest Valveny, Sanket Biswas
Abstract: The rapid evolution of intelligent document processing systems demands robust solutions that adapt to diverse domains without extensive retraining. Traditional methods often falter with variable document types, leading to poor performance. To overcome these limitations, this paper introduces a text-graphic layer separation approach that enhances domain adaptability in document image restoration (DIR) systems. We propose LayeredDoc, which utilizes two layers of information: the first targets coarse-grained graphic components, while the second refines machine-printed textual content. This hierarchical DIR framework dynamically adjusts to the characteristics of the input document, facilitating effective domain adaptation. We evaluated our approach both qualitatively and quantitatively using a new real-world dataset, LayeredDocDB, developed for this study. Initially trained on a synthetically generated dataset, our model demonstrates strong generalization capabilities for the DIR task, offering a promising solution for handling variability in real-world data. Our code is accessible on GitHub.
Authors: Kwanghee Choi, Ankita Pasad, Tomohiko Nakamura, Satoru Fukayama, Karen Livescu, Shinji Watanabe
Abstract: Self-supervised speech models (S3Ms) have become an effective backbone for speech applications. Various analyses suggest that S3Ms encode linguistic properties. In this work, we seek a more fine-grained analysis of the word-level linguistic properties encoded in S3Ms. Specifically, we curate a novel dataset of near homophone (phonetically similar) and synonym (semantically similar) word pairs and measure the similarities between S3M word representation pairs. Our study reveals that S3M representations consistently and significantly exhibit more phonetic than semantic similarity. Further, we question whether widely used intent classification datasets such as Fluent Speech Commands and Snips Smartlights are adequate for measuring semantic abilities. Our simple baseline, using only the word identity, surpasses S3M-based models. This corroborates our findings and suggests that high scores on these datasets do not necessarily guarantee the presence of semantic content.
Authors: Adel N. Abdalla, Jared Osborne, Razvan Andonie
Abstract: Music evokes emotion in many people. We introduce a novel way to manipulate the emotional content of a song using AI tools. Our goal is to achieve the desired emotion while leaving the original melody as intact as possible. For this, we create an interactive pipeline capable of shifting an input song into a diametrically opposed emotion and visualize this result through Russel's Circumplex model. Our approach is a proof-of-concept for Semantic Manipulation of Music, a novel field aimed at modifying the emotional content of existing music. We design a deep learning model able to assess the accuracy of our modifications to key, SoundFont instrumentation, and other musical features. The accuracy of our model is in-line with the current state of the art techniques on the 4Q Emotion dataset. With further refinement, this research may contribute to on-demand custom music generation, the automated remixing of existing work, and music playlists tuned for emotional progression.
Authors: Chenggong Wang, Michael S. Pritchard, Noah Brenowitz, Yair Cohen, Boris Bonev, Thorsten Kurth, Dale Durran, Jaideep Pathak
Abstract: Seasonal climate forecasts are socioeconomically important for managing the impacts of extreme weather events and for planning in sectors like agriculture and energy. Climate predictability on seasonal timescales is tied to boundary effects of the ocean on the atmosphere and coupled interactions in the ocean-atmosphere system. We present the Ocean-linked-atmosphere (Ola) model, a high-resolution (0.25{\deg}) Artificial Intelligence/ Machine Learning (AI/ML) coupled earth-system model which separately models the ocean and atmosphere dynamics using an autoregressive Spherical Fourier Neural Operator architecture, with a view towards enabling fast, accurate, large ensemble forecasts on the seasonal timescale. We find that Ola exhibits learned characteristics of ocean-atmosphere coupled dynamics including tropical oceanic waves with appropriate phase speeds, and an internally generated El Ni\~no/Southern Oscillation (ENSO) having realistic amplitude, geographic structure, and vertical structure within the ocean mixed layer. We present initial evidence of skill in forecasting the ENSO which compares favorably to the SPEAR model of the Geophysical Fluid Dynamics Laboratory.
Authors: Zhongao Sun, Jiameng Li, Yuhan Wang, Jiarong Cheng, Qing Zhou, Chun Li
Abstract: Brain tumor segmentation remains a significant challenge, particularly in the context of multi-modal magnetic resonance imaging (MRI) where missing modality images are common in clinical settings, leading to reduced segmentation accuracy. To address this issue, we propose a novel strategy, which is called masked predicted pre-training, enabling robust feature learning from incomplete modality data. Additionally, in the fine-tuning phase, we utilize a knowledge distillation technique to align features between complete and missing modality data, simultaneously enhancing model robustness. Notably, we leverage the Holder pseudo-divergence instead of the KLD for distillation loss, offering improve mathematical interpretability and properties. Extensive experiments on the BRATS2018 and BRATS2020 datasets demonstrate significant performance enhancements compared to existing state-of-the-art methods.
Authors: Yuhang Cai, Jingfeng Wu, Song Mei, Michael Lindsey, Peter L. Bartlett
Abstract: The typical training of neural networks using large stepsize gradient descent (GD) under the logistic loss often involves two distinct phases, where the empirical risk oscillates in the first phase but decreases monotonically in the second phase. We investigate this phenomenon in two-layer networks that satisfy a near-homogeneity condition. We show that the second phase begins once the empirical risk falls below a certain threshold, dependent on the stepsize. Additionally, we show that the normalized margin grows nearly monotonically in the second phase, demonstrating an implicit bias of GD in training non-homogeneous predictors. If the dataset is linearly separable and the derivative of the activation function is bounded away from zero, we show that the average empirical risk decreases, implying that the first phase must stop in finite steps. Finally, we demonstrate that by choosing a suitably large stepsize, GD that undergoes this phase transition is more efficient than GD that monotonically decreases the risk. Our analysis applies to networks of any width, beyond the well-known neural tangent kernel and mean-field regimes.
Authors: Nuri Mert Vural, Murat A. Erdogdu
Abstract: While it is commonly observed in practice that pruning networks to a certain level of sparsity can improve the quality of the features, a theoretical explanation of this phenomenon remains elusive. In this work, we investigate this by demonstrating that a broad class of statistical models can be optimally learned using pruned neural networks trained with gradient descent, in high-dimensions. We consider learning both single-index and multi-index models of the form $y = \sigma^*(\boldsymbol{V}^{\top} \boldsymbol{x}) + \epsilon$, where $\sigma^*$ is a degree-$p$ polynomial, and $\boldsymbol{V} \in \mathbbm{R}^{d \times r}$ with $r \ll d$, is the matrix containing relevant model directions. We assume that $\boldsymbol{V}$ satisfies a certain $\ell_q$-sparsity condition for matrices and show that pruning neural networks proportional to the sparsity level of $\boldsymbol{V}$ improves their sample complexity compared to unpruned networks. Furthermore, we establish Correlational Statistical Query (CSQ) lower bounds in this setting, which take the sparsity level of $\boldsymbol{V}$ into account. We show that if the sparsity level of $\boldsymbol{V}$ exceeds a certain threshold, training pruned networks with a gradient descent algorithm achieves the sample complexity suggested by the CSQ lower bound. In the same scenario, however, our results imply that basis-independent methods such as models trained via standard gradient descent initialized with rotationally invariant random weights can provably achieve only suboptimal sample complexity.
Authors: Zhilin Wang, Yi Dong, Olivier Delalleau, Jiaqi Zeng, Gerald Shen, Daniel Egert, Jimmy J. Zhang, Makesh Narsimhan Sreedhar, Oleksii Kuchaiev
Abstract: High-quality preference datasets are essential for training reward models that can effectively guide large language models (LLMs) in generating high-quality responses aligned with human preferences. As LLMs become stronger and better aligned, permissively licensed preference datasets, such as Open Assistant, HH-RLHF, and HelpSteer need to be updated to remain effective for reward modeling. Methods that distil preference data from proprietary LLMs such as GPT-4 have restrictions on commercial usage imposed by model providers. To improve upon both generated responses and attribute labeling quality, we release HelpSteer2, a permissively licensed preference dataset (CC-BY-4.0). Using a powerful internal base model trained on HelpSteer2, we are able to achieve the SOTA score (92.0%) on Reward-Bench's primary dataset, outperforming currently listed open and proprietary models, as of June 12th, 2024. Notably, HelpSteer2 consists of only ten thousand response pairs, an order of magnitude fewer than existing preference datasets (e.g., HH-RLHF), which makes it highly efficient for training reward models. Our extensive experiments demonstrate that reward models trained with HelpSteer2 are effective in aligning LLMs. In particular, we propose SteerLM 2.0, a model alignment approach that can effectively make use of the rich multi-attribute score predicted by our reward models. HelpSteer2 is available at https://huggingface.co/datasets/nvidia/HelpSteer2 and code is available at https://github.com/NVIDIA/NeMo-Aligner
URLs: https://huggingface.co/datasets/nvidia/HelpSteer2, https://github.com/NVIDIA/NeMo-Aligner
Authors: Alex Jihun Lee, Reza Abbasi-Asl
Abstract: Advances in molecular technologies underlie an enormous growth in the size of data sets pertaining to biology and biomedicine. These advances parallel those in the deep learning subfield of machine learning. Components in the differentiable programming toolbox that makes deep learning possible are allowing computer scientists to address an increasingly large array of problems with flexible and effective tools. However many of these tools have not fully proliferated into the computational biology and bioinformatics fields. In this perspective we survey some of these advances and highlight exemplary examples of their utilization in the biosciences, with the goal of increasing awareness among practitioners of emerging opportunities to blend expert knowledge with newly emerging deep learning architectural tools.
Authors: Ben Agro, Quinlan Sykora, Sergio Casas, Thomas Gilles, Raquel Urtasun
Abstract: Perceiving the world and forecasting its future state is a critical task for self-driving. Supervised approaches leverage annotated object labels to learn a model of the world -- traditionally with object detections and trajectory predictions, or temporal bird's-eye-view (BEV) occupancy fields. However, these annotations are expensive and typically limited to a set of predefined categories that do not cover everything we might encounter on the road. Instead, we learn to perceive and forecast a continuous 4D (spatio-temporal) occupancy field with self-supervision from LiDAR data. This unsupervised world model can be easily and effectively transferred to downstream tasks. We tackle point cloud forecasting by adding a lightweight learned renderer and achieve state-of-the-art performance in Argoverse 2, nuScenes, and KITTI. To further showcase its transferability, we fine-tune our model for BEV semantic occupancy forecasting and show that it outperforms the fully supervised state-of-the-art, especially when labeled data is scarce. Finally, when compared to prior state-of-the-art on spatio-temporal geometric occupancy prediction, our 4D world model achieves a much higher recall of objects from classes relevant to self-driving.
Authors: Attrayee Chakraborty, Mandar Karhade
Abstract: Artificial Intelligence (AI) is being adopted across the world and promises a new revolution in healthcare. While AI-enabled medical devices in North America dominate 42.3% of the global market, the use of AI-enabled medical devices in other countries is still a story waiting to be unfolded. We aim to delve deeper into global regulatory approaches towards AI use in healthcare, with a focus on how common themes are emerging globally. We compare these themes to the World Health Organization's (WHO) regulatory considerations and principles on ethical use of AI for healthcare applications. Our work seeks to take a global perspective on AI policy by analyzing 14 legal jurisdictions including countries representative of various regions in the world (North America, South America, South East Asia, Middle East, Africa, Australia, and the Asia-Pacific). Our eventual goal is to foster a global conversation on the ethical use of AI in healthcare and the regulations that will guide it. We propose solutions to promote international harmonization of AI regulations and examine the requirements for regulating generative AI, using China and Singapore as examples of countries with well-developed policies in this area.
Authors: Angela Zhou
Abstract: Offline reinforcement learning is important in many settings with available observational data but the inability to deploy new policies online due to safety, cost, and other concerns. Many recent advances in causal inference and machine learning target estimation of causal contrast functions such as CATE, which is sufficient for optimizing decisions and can adapt to potentially smoother structure. We develop a dynamic generalization of the R-learner (Nie and Wager 2021, Lewis and Syrgkanis 2021) for estimating and optimizing the difference of $Q^\pi$-functions, $Q^\pi(s,1)-Q^\pi(s,0)$ (which can be used to optimize multiple-valued actions). We leverage orthogonal estimation to improve convergence rates in the presence of slower nuisance estimation rates and prove consistency of policy optimization under a margin condition. The method can leverage black-box nuisance estimators of the $Q$-function and behavior policy to target estimation of a more structured $Q$-function contrast.
Authors: Diego Porres, Alex Gomez-Villa
Abstract: Since NFTs and large generative models (such as DALLE2 and Stable Diffusion) have been publicly available, artists have seen their jobs threatened and stolen. While artists depend on sharing their art on online platforms such as Deviantart, Pixiv, and Artstation, many slowed down sharing their work or downright removed their past work therein, especially if these platforms fail to provide certain guarantees regarding the copyright of their uploaded work. Text-to-image (T2I) generative models are trained using human-produced content to better guide the style and themes they can produce. Still, if the trend continues where data found online is generated by a machine instead of a human, this will have vast repercussions in culture. Inspired by recent work in generative models, we wish to tell a cautionary tale and ask what will happen to the visual arts if generative models continue on the path to be (eventually) trained solely on generated content.
Authors: Ping Chen, Wenjie Zhang, Shuibing He, Yingjie Gu, Zhuwei Peng, Kexin Huang, Xuan Zhan, Weijian Chen, Yi Zheng, Zhefeng Wang, Yanlong Yin, Gang Chen
Abstract: Large model training has been using recomputation to alleviate the memory pressure and pipelining to exploit the parallelism of data, tensor, and devices. The existing recomputation approaches may incur up to 40% overhead when training real-world models, e.g., the GPT model with 22B parameters. This is because they are executed on demand in the critical training path. In this paper, we design a new recomputation framework, Lynx, to reduce the overhead by overlapping the recomputation with communication occurring in training pipelines. It consists of an optimal scheduling algorithm (OPT) and a heuristic-based scheduling algorithm (HEU). OPT achieves a global optimum but suffers from a long search time. HEU was designed based on our observation that there are identical structures in large DNN models so that we can apply the same scheduling policy to all identical structures. HEU achieves a local optimum but reduces the search time by 99% compared to OPT. Our comprehensive evaluation using GPT models with 1.3B-20B parameters shows that both OPT and HEU outperform the state-of-the-art recomputation approaches (e.g., Megatron-LM and Checkmake) by 1.02-1.53x. HEU achieves a similar performance as OPT with a search time of 0.16s on average.
Authors: Tiantian Feng, Dimitrios Dimitriadis, Shrikanth Narayanan
Abstract: Recent advances in foundation models have enabled audio-generative models that produce high-fidelity sounds associated with music, events, and human actions. Despite the success achieved in modern audio-generative models, the conventional approach to assessing the quality of the audio generation relies heavily on distance metrics like Frechet Audio Distance. In contrast, we aim to evaluate the quality of audio generation by examining the effectiveness of using them as training data. Specifically, we conduct studies to explore the use of synthetic audio for audio recognition. Moreover, we investigate whether synthetic audio can serve as a resource for data augmentation in speech-related modeling. Our comprehensive experiments demonstrate the potential of using synthetic audio for audio recognition and speech-related modeling. Our code is available at https://github.com/usc-sail/SynthAudio.
Authors: Houze Liu, Iris Li, Yaxin Liang, Dan Sun, Yining Yang, Haowei Yang
Abstract: Neural networks with relatively shallow layers and simple structures may have limited ability in accurately identifying pneumonia. In addition, deep neural networks also have a large demand for computing resources, which may cause convolutional neural networks to be unable to be implemented on terminals. Therefore, this paper will carry out the optimal classification of convolutional neural networks. Firstly, according to the characteristics of pneumonia images, AlexNet and InceptionV3 were selected to obtain better image recognition results. Combining the features of medical images, the forward neural network with deeper and more complex structure is learned. Finally, knowledge extraction technology is used to extract the obtained data into the AlexNet model to achieve the purpose of improving computing efficiency and reducing computing costs. The results showed that the prediction accuracy, specificity, and sensitivity of the trained AlexNet model increased by 4.25 percentage points, 7.85 percentage points, and 2.32 percentage points, respectively. The graphics processing usage has decreased by 51% compared to the InceptionV3 mode.
Authors: Dan Sun, Yaxin Liang, Yining Yang, Yuhan Ma, Qishi Zhan, Erdi Gao
Abstract: This project intends to study the image representation based on attention mechanism and multimodal data. By adding multiple pattern layers to the attribute model, the semantic and hidden layers of image content are integrated. The word vector is quantified by the Word2Vec method and then evaluated by a word embedding convolutional neural network. The published experimental results of the two groups were tested. The experimental results show that this method can convert discrete features into continuous characters, thus reducing the complexity of feature preprocessing. Word2Vec and natural language processing technology are integrated to achieve the goal of direct evaluation of missing image features. The robustness of the image feature evaluation model is improved by using the excellent feature analysis characteristics of a convolutional neural network. This project intends to improve the existing image feature identification methods and eliminate the subjective influence in the evaluation process. The findings from the simulation indicate that the novel approach has developed is viable, effectively augmenting the features within the produced representations.
Authors: Maor Dikter, Tsachi Blau, Chaim Baskin
Abstract: Concept bottleneck models (CBMs) have emerged as critical tools in domains where interpretability is paramount. These models rely on predefined textual descriptions, referred to as concepts, to inform their decision-making process and offer more accurate reasoning. As a result, the selection of concepts used in the model is of utmost significance. This study proposes \underline{\textbf{C}}onceptual \underline{\textbf{L}}earning via \underline{\textbf{E}}mbedding \underline{\textbf{A}}pproximations for \underline{\textbf{R}}einforcing Interpretability and Transparency, abbreviated as CLEAR, a framework for constructing a CBM for image classification. Using score matching and Langevin sampling, we approximate the embedding of concepts within the latent space of a vision-language model (VLM) by learning the scores associated with the joint distribution of images and concepts. A concept selection process is then employed to optimize the similarity between the learned embeddings and the predefined ones. The derived bottleneck offers insights into the CBM's decision-making process, enabling more comprehensive interpretations. Our approach was evaluated through extensive experiments and achieved state-of-the-art performance on various benchmarks. The code for our experiments is available at https://github.com/clearProject/CLEAR/tree/main
Authors: Jeremy McMahan, Giovanni Artiglio, Qiaomin Xie
Abstract: We study robust Markov games (RMG) with $s$-rectangular uncertainty. We show a general equivalence between computing a robust Nash equilibrium (RNE) of a $s$-rectangular RMG and computing a Nash equilibrium (NE) of an appropriately constructed regularized MG. The equivalence result yields a planning algorithm for solving $s$-rectangular RMGs, as well as provable robustness guarantees for policies computed using regularized methods. However, we show that even for just reward-uncertain two-player zero-sum matrix games, computing an RNE is PPAD-hard. Consequently, we derive a special uncertainty structure called efficient player-decomposability and show that RNE for two-player zero-sum RMG in this class can be provably solved in polynomial time. This class includes commonly used uncertainty sets such as $L_1$ and $L_\infty$ ball uncertainty sets.
Authors: Nina Schmid, David Fernandes del Pozo, Willem Waegeman, Jan Hasenauer
Abstract: Scientific Machine Learning is a new class of approaches that integrate physical knowledge and mechanistic models with data-driven techniques for uncovering governing equations of complex processes. Among the available approaches, Universal Differential Equations (UDEs) are used to combine prior knowledge in the form of mechanistic formulations with universal function approximators, like neural networks. Integral to the efficacy of UDEs is the joint estimation of parameters within mechanistic formulations and the universal function approximators using empirical data. The robustness and applicability of resultant models, however, hinge upon the rigorous quantification of uncertainties associated with these parameters, as well as the predictive capabilities of the overall model or its constituent components. With this work, we provide a formalisation of uncertainty quantification (UQ) for UDEs and investigate important frequentist and Bayesian methods. By analysing three synthetic examples of varying complexity, we evaluate the validity and efficiency of ensembles, variational inference and Markov chain Monte Carlo sampling as epistemic UQ methods for UDEs.
Authors: Tairan He, Zhengyi Luo, Xialin He, Wenli Xiao, Chong Zhang, Weinan Zhang, Kris Kitani, Changliu Liu, Guanya Shi
Abstract: We present OmniH2O (Omni Human-to-Humanoid), a learning-based system for whole-body humanoid teleoperation and autonomy. Using kinematic pose as a universal control interface, OmniH2O enables various ways for a human to control a full-sized humanoid with dexterous hands, including using real-time teleoperation through VR headset, verbal instruction, and RGB camera. OmniH2O also enables full autonomy by learning from teleoperated demonstrations or integrating with frontier models such as GPT-4. OmniH2O demonstrates versatility and dexterity in various real-world whole-body tasks through teleoperation or autonomy, such as playing multiple sports, moving and manipulating objects, and interacting with humans. We develop an RL-based sim-to-real pipeline, which involves large-scale retargeting and augmentation of human motion datasets, learning a real-world deployable policy with sparse sensor input by imitating a privileged teacher policy, and reward designs to enhance robustness and stability. We release the first humanoid whole-body control dataset, OmniH2O-6, containing six everyday tasks, and demonstrate humanoid whole-body skill learning from teleoperated datasets.
Authors: Paul Melki (IMS), Lionel Bombrun (IMS), Boubacar Diallo (IMS), J\'er\^ome Dias (IMS), Jean-Pierre da Costa (IMS)
Abstract: The deployment of safe and trustworthy machine learning systems, and particularly complex black box neural networks, in real-world applications requires reliable and certified guarantees on their performance. The conformal prediction framework offers such formal guarantees by transforming any point into a set predictor with valid, finite-set, guarantees on the coverage of the true at a chosen level of confidence. Central to this methodology is the notion of the nonconformity score function that assigns to each example a measure of ''strangeness'' in comparison with the previously seen observations. While the coverage guarantees are maintained regardless of the nonconformity measure, the point predictor and the dataset, previous research has shown that the performance of a conformal model, as measured by its efficiency (the average size of the predicted sets) and its informativeness (the proportion of prediction sets that are singletons), is influenced by the choice of the nonconformity score function. The current work introduces the Penalized Inverse Probability (PIP) nonconformity score, and its regularized version RePIP, that allow the joint optimization of both efficiency and informativeness. Through toy examples and empirical results on the task of crop and weed image classification in agricultural robotics, the current work shows how PIP-based conformal classifiers exhibit precisely the desired behavior in comparison with other nonconformity measures and strike a good balance between informativeness and efficiency.
Authors: Simon Bilik, Ilona Janakova, Adam Ligocki, Dominik Ficek, Karel Horak
Abstract: Many application from the bee colony health state monitoring could be efficiently solved using a computer vision techniques. One of such challenges is an efficient way for counting the number of incoming and outcoming bees, which could be used to further analyse many trends, such as the bee colony health state, blooming periods, or for investigating the effects of agricultural spraying. In this paper, we compare three methods for the automated bee counting over two own datasets. The best performing method is based on the ResNet-50 convolutional neural network classifier, which achieved accuracy of 87% over the BUT1 dataset and the accuracy of 93% over the BUT2 dataset.
Authors: William Ravenscroft, George Close, Stefan Goetze, Thomas Hain, Mohammad Soleymanpour, Anurag Chowdhury, Mark C. Fuhs
Abstract: One solution to automatic speech recognition (ASR) of overlapping speakers is to separate speech and then perform ASR on the separated signals. Commonly, the separator produces artefacts which often degrade ASR performance. Addressing this issue typically requires reference transcriptions to jointly train the separation and ASR networks. This is often not viable for training on real-world in-domain audio where reference transcript information is not always available. This paper proposes a transcription-free method for joint training using only audio signals. The proposed method uses embedding differences of pre-trained ASR encoders as a loss with a proposed modification to permutation invariant training (PIT) called guided PIT (GPIT). The method achieves a 6.4% improvement in word error rate (WER) measures over a signal-level loss and also shows enhancement improvements in perceptual measures such as short-time objective intelligibility (STOI).
Authors: Christian Nauck, Anna B\"uttner, Sebastian Liemann, Frank Hellmann, Michael Lindner
Abstract: Due to the increasing share of renewables, the analysis of the dynamical behavior of power grids gains importance. Effective risk assessments necessitate the analysis of large number of fault scenarios. The computational costs inherent in dynamic simulations impose constraints on the number of configurations that can be analyzed. Machine Learning (ML) has proven to efficiently predict complex power grid properties. Hence, we analyze the potential of ML for predicting dynamic stability of future power grids with large shares of inverters. For this purpose, we generate a new dataset consisting of synthetic power grid models and perform dynamical simulations. As targets for the ML training, we calculate the fault-ride-through probability, which we define as the probability of staying within a ride-through curve after a fault at a bus has been cleared. Importantly, we demonstrate that ML models accurately predict the fault-ride-through probability of synthetic power grids. Finally, we also show that the ML models generalize to an IEEE-96 Test System, which emphasizes the potential of deploying ML methods to study probabilistic stability of power grids.
Authors: Georgios Kaissis, Stefan Kolek, Borja Balle, Jamie Hayes, Daniel Rueckert
Abstract: In differentially private (DP) machine learning, the privacy guarantees of DP mechanisms are often reported and compared on the basis of a single $(\varepsilon, \delta)$-pair. This practice overlooks that DP guarantees can vary substantially \emph{even between mechanisms sharing a given $(\varepsilon, \delta)$}, and potentially introduces privacy vulnerabilities which can remain undetected. This motivates the need for robust, rigorous methods for comparing DP guarantees in such cases. Here, we introduce the $\Delta$-divergence between mechanisms which quantifies the worst-case excess privacy vulnerability of choosing one mechanism over another in terms of $(\varepsilon, \delta)$, $f$-DP and in terms of a newly presented Bayesian interpretation. Moreover, as a generalisation of the Blackwell theorem, it is endowed with strong decision-theoretic foundations. Through application examples, we show that our techniques can facilitate informed decision-making and reveal gaps in the current understanding of privacy risks, as current practices in DP-SGD often result in choosing mechanisms with high excess privacy vulnerabilities.
Authors: Ying Zhou, Ben He, Le Sun
Abstract: With the launch of ChatGPT, large language models (LLMs) have attracted global attention. In the realm of article writing, LLMs have witnessed extensive utilization, giving rise to concerns related to intellectual property protection, personal privacy, and academic integrity. In response, AI-text detection has emerged to distinguish between human and machine-generated content. However, recent research indicates that these detection systems often lack robustness and struggle to effectively differentiate perturbed texts. Currently, there is a lack of systematic evaluations regarding detection performance in real-world applications, and a comprehensive examination of perturbation techniques and detector robustness is also absent. To bridge this gap, our work simulates real-world scenarios in both informal and professional writing, exploring the out-of-the-box performance of current detectors. Additionally, we have constructed 12 black-box text perturbation methods to assess the robustness of current detection models across various perturbation granularities. Furthermore, through adversarial learning experiments, we investigate the impact of perturbation data augmentation on the robustness of AI-text detectors. We have released our code and data at https://github.com/zhouying20/ai-text-detector-evaluation.
URLs: https://github.com/zhouying20/ai-text-detector-evaluation.
Authors: Krzysztof Wolski, Adarsh Djeacoumar, Alireza Javanmardi, Hans-Peter Seidel, Christian Theobalt, Guillaume Cordonnier, Karol Myszkowski, George Drettakis, Xingang Pan, Thomas Leimk\"uhler
Abstract: The real world exhibits rich structure and detail across many scales of observation. It is difficult, however, to capture and represent a broad spectrum of scales using ordinary images. We devise a novel paradigm for learning a representation that captures an orders-of-magnitude variety of scales from an unstructured collection of ordinary images. We treat this collection as a distribution of scale-space slices to be learned using adversarial training, and additionally enforce coherency across slices. Our approach relies on a multiscale generator with carefully injected procedural frequency content, which allows to interactively explore the emerging continuous scale space. Training across vastly different scales poses challenges regarding stability, which we tackle using a supervision scheme that involves careful sampling of scales. We show that our generator can be used as a multiscale generative model, and for reconstructions of scale spaces from unstructured patches. Significantly outperforming the state of the art, we demonstrate zoom-in factors of up to 256x at high quality and scale consistency.
Authors: Cl\'ement Bonet, Th\'eo Uscidda, Adam David, Pierre-Cyril Aubin-Frankowski, Anna Korba
Abstract: As the problem of minimizing functionals on the Wasserstein space encompasses many applications in machine learning, different optimization algorithms on $\mathbb{R}^d$ have received their counterpart analog on the Wasserstein space. We focus here on lifting two explicit algorithms: mirror descent and preconditioned gradient descent. These algorithms have been introduced to better capture the geometry of the function to minimize and are provably convergent under appropriate (namely relative) smoothness and convexity conditions. Adapting these notions to the Wasserstein space, we prove guarantees of convergence of some Wasserstein-gradient-based discrete-time schemes for new pairings of objective functionals and regularizers. The difficulty here is to carefully select along which curves the functionals should be smooth and convex. We illustrate the advantages of adapting the geometry induced by the regularizer on ill-conditioned optimization tasks, and showcase the improvement of choosing different discrepancies and geometries in a computational biology task of aligning single-cells.
Authors: Tuan Pham, Stephan Mandt
Abstract: Neural Radiance Fields (NeRFs) have emerged as powerful tools for capturing detailed 3D scenes through continuous volumetric representations. Recent NeRFs utilize feature grids to improve rendering quality and speed; however, these representations introduce significant storage overhead. This paper presents a novel method for efficiently compressing a grid-based NeRF model, addressing the storage overhead concern. Our approach is based on the non-linear transform coding paradigm, employing neural compression for compressing the model's feature grids. Due to the lack of training data involving many i.i.d scenes, we design an encoder-free, end-to-end optimized approach for individual scenes, using lightweight decoders. To leverage the spatial inhomogeneity of the latent feature grids, we introduce an importance-weighted rate-distortion objective and a sparse entropy model employing a masking mechanism. Our experimental results validate that our proposed method surpasses existing works in terms of grid-based NeRF compression efficacy and reconstruction quality.
Authors: Duong H. Le, Tuan Pham, Aniruddha Kembhavi, Stephan Mandt, Wei-Chiu Ma, Jiasen Lu
Abstract: We present Piva (Preserving Identity with Variational Score Distillation), a novel optimization-based method for editing images and 3D models based on diffusion models. Specifically, our approach is inspired by the recently proposed method for 2D image editing - Delta Denoising Score (DDS). We pinpoint the limitations in DDS for 2D and 3D editing, which causes detail loss and over-saturation. To address this, we propose an additional score distillation term that enforces identity preservation. This results in a more stable editing process, gradually optimizing NeRF models to match target prompts while retaining crucial input characteristics. We demonstrate the effectiveness of our approach in zero-shot image and neural field editing. Our method successfully alters visual attributes, adds both subtle and substantial structural elements, translates shapes, and achieves competitive results on standard 2D and 3D editing benchmarks. Additionally, our method imposes no constraints like masking or pre-training, making it compatible with a wide range of pre-trained diffusion models. This allows for versatile editing without needing neural field-to-mesh conversion, offering a more user-friendly experience.
Authors: Yanwen Huang, Bowen Gao, Yinjun Jia, Hongbo Ma, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan
Abstract: Small molecules play a pivotal role in modern medicine, and scrutinizing their interactions with protein targets is essential for the discovery and development of novel, life-saving therapeutics. The term "bioactivity" encompasses various biological effects resulting from these interactions, including both binding and functional responses. The magnitude of bioactivity dictates the therapeutic or toxic pharmacological outcomes of small molecules, rendering accurate bioactivity prediction crucial for the development of safe and effective drugs. However, existing structural datasets of small molecule-protein interactions are often limited in scale and lack systematically organized bioactivity labels, thereby impeding our understanding of these interactions and precise bioactivity prediction. In this study, we introduce a comprehensive dataset of small molecule-protein interactions, consisting of over a million binding structures, each annotated with real biological activity labels. This dataset is designed to facilitate unbiased bioactivity prediction. We evaluated several classical models on this dataset, and the results demonstrate that the task of unbiased bioactivity prediction is challenging yet essential.
Authors: Bowen Gao, Haichuan Tan, Yanwen Huang, Minsi Ren, Xiao Huang, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan
Abstract: Recent advancements in structure-based drug design (SBDD) have significantly enhanced the efficiency and precision of drug discovery by generating molecules tailored to bind specific protein pockets. Despite these technological strides, their practical application in real-world drug development remains challenging due to the complexities of synthesizing and testing these molecules. The reliability of the Vina docking score, the current standard for assessing binding abilities, is increasingly questioned due to its susceptibility to overfitting. To address these limitations, we propose a comprehensive evaluation framework that includes assessing the similarity of generated molecules to known active compounds, introducing a virtual screening-based metric for practical deployment capabilities, and re-evaluating binding affinity more rigorously. Our experiments reveal that while current SBDD models achieve high Vina scores, they fall short in practical usability metrics, highlighting a significant gap between theoretical predictions and real-world applicability. Our proposed metrics and dataset aim to bridge this gap, enhancing the practical applicability of future SBDD models and aligning them more closely with the needs of pharmaceutical research and development.
Authors: Lincan Cai, Shuang Li, Wenxuan Ma, Jingxuan Kang, Binhui Xie, Zixun Sun, Chengwei Zhu
Abstract: Large-scale pretrained models have proven immensely valuable in handling data-intensive modalities like text and image. However, fine-tuning these models for certain specialized modalities, such as protein sequence and cosmic ray, poses challenges due to the significant modality discrepancy and scarcity of labeled data. In this paper, we propose an end-to-end method, PaRe, to enhance cross-modal fine-tuning, aiming to transfer a large-scale pretrained model to various target modalities. PaRe employs a gating mechanism to select key patches from both source and target data. Through a modality-agnostic Patch Replacement scheme, these patches are preserved and combined to construct data-rich intermediate modalities ranging from easy to hard. By gradually intermediate modality generation, we can not only effectively bridge the modality gap to enhance stability and transferability of cross-modal fine-tuning, but also address the challenge of limited data in the target modality by leveraging enriched intermediate modality data. Compared with hand-designed, general-purpose, task-specific, and state-of-the-art cross-modal fine-tuning approaches, PaRe demonstrates superior performance across three challenging benchmarks, encompassing more than ten modalities.
Authors: Roman Kalkreuth, Thomas Baeck
Abstract: The reference implementation of Cartesian Genetic Programming (CGP) was written in the C programming language. C inherently follows a procedural programming paradigm, which entails challenges in providing a reusable and scalable implementation model for complex structures and methods. Moreover, due to the limiting factors of C, the reference implementation of CGP does not provide a generic framework and is therefore restricted to a set of predefined evaluation types. Besides the reference implementation, we also observe that other existing implementations are limited with respect to the features provided. In this work, we therefore propose the first version of a modern C++ implementation of CGP that pursues object-oriented design and generic programming paradigm to provide an efficient implementation model that can facilitate the discovery of new problem domains and the implementation of complex advanced methods that have been proposed for CGP over time. With the proposal of our new implementation, we aim to generally promote interpretability, accessibility and reproducibility in the field of CGP.
Authors: Jing Liu, Ruihao Gong, Mingyang Zhang, Yefei He, Jianfei Cai, Bohan Zhuang
Abstract: The typical process for developing LLMs involves pre-training a general foundation model on massive data, followed by fine-tuning on task-specific data to create specialized experts. Serving these experts poses challenges, as loading all experts onto devices is impractical, and frequent switching between experts in response to user requests incurs substantial I/O costs, increasing latency and expenses. Previous approaches decompose expert weights into pre-trained model weights and residual delta weights, then quantize the delta weights to reduce model size. However, these methods often lead to significant quantization errors at extremely low bitwidths and assume the appropriate model for a user request is known in advance, which is not practical. To address these issues, we introduce ME-Switch, a memory-efficient expert switching framework for LLM serving. ME-Switch uses mixed-precision quantization, selectively quantizing non-salient input channels of delta weights to extremely low bits while keeping salient ones intact, significantly reducing storage demands while maintaining performance. Additionally, we develop a routing method that efficiently directs user queries to the most suitable expert by transforming the model selection problem into a domain classification problem. Extensive experiments show ME-Switch's promising memory efficiency and routing performance. For example, when serving three models from the Mistral-7B family, ME-Switch reduces model size by 1.74x while maintaining nearly lossless performance on instruction, mathematical reasoning, and code generation tasks. Furthermore, ME-Switch can efficiently serve 16 models from the Mistral-7B family on a single NVIDIA A100 GPU.
Authors: Arnaud Descours (MAGNET), Tom Huix (X), Arnaud Guillin (LMBP), Manon Michel (LMBP), \'Eric Moulines (X), Boris Nectoux (LMBP)
Abstract: In this paper, we rigorously derive Central Limit Theorems (CLT) for Bayesian two-layerneural networks in the infinite-width limit and trained by variational inference on a regression task. The different networks are trained via different maximization schemes of the regularized evidence lower bound: (i) the idealized case with exact estimation of a multiple Gaussian integral from the reparametrization trick, (ii) a minibatch scheme using Monte Carlo sampling, commonly known as Bayes-by-Backprop, and (iii) a computationally cheaper algorithm named Minimal VI. The latter was recently introduced by leveraging the information obtained at the level of the mean-field limit. Laws of large numbers are already rigorously proven for the three schemes that admits the same asymptotic limit. By deriving CLT, this work shows that the idealized and Bayes-by-Backprop schemes have similar fluctuation behavior, that is different from the Minimal VI one. Numerical experiments then illustrate that the Minimal VI scheme is still more efficient, in spite of bigger variances, thanks to its important gain in computational complexity.
Authors: Tatsuya Itoi, Kazuho Amishiki, Sangwon Lee, Taro Yaoyama
Abstract: This paper presents a novel framework for Bayesian structural model updating and proposes a method that utilizes the surrogate unimodal encoders of a multimodal variational autoencoder. This method facilitates an efficient nonparametric estimation of the likelihood describing the observed data. It is particularly suitable for high-dimensional correlated simultaneous observations applicable to various dynamic analysis models. The proposed approach is benchmarked using a numerical model of a single-story frame building with acceleration and dynamic strain measurements.
Authors: Zheyang Shen, Chris J. Oates
Abstract: Diffusion models are typically trained using score matching, yet score matching is agnostic to the particular forward process that defines the model. This paper argues that Markov diffusion models enjoy an advantage over other types of diffusion model, as their associated operators can be exploited to improve the training process. In particular, (i) there exists an explicit formal solution to the forward process as a sequence of time-dependent kernel mean embeddings; and (ii) the derivation of score-matching and related estimators can be streamlined. Building upon (i), we propose Riemannian diffusion kernel smoothing, which ameliorates the need for neural score approximation, at least in the low-dimensional context; Building upon (ii), we propose operator-informed score matching, a variance reduction technique that is straightforward to implement in both low- and high-dimensional diffusion modeling and is demonstrated to improve score matching in an empirical proof-of-concept.
Authors: Chenwei Lin, Hanjia Lyu, Xian Xu, Jiebo Luo
Abstract: Large Vision-Language Models (LVLMs) have demonstrated outstanding performance in various general multimodal applications such as image recognition and visual reasoning, and have also shown promising potential in specialized domains. However, the application potential of LVLMs in the insurance domain-characterized by rich application scenarios and abundant multimodal data-has not been effectively explored. There is no systematic review of multimodal tasks in the insurance domain, nor a benchmark specifically designed to evaluate the capabilities of LVLMs in insurance. This gap hinders the development of LVLMs within the insurance domain. In this paper, we systematically review and distill multimodal tasks for four representative types of insurance: auto insurance, property insurance, health insurance, and agricultural insurance. We propose INS-MMBench, the first comprehensive LVLMs benchmark tailored for the insurance domain. INS-MMBench comprises a total of 2.2K thoroughly designed multiple-choice questions, covering 12 meta-tasks and 22 fundamental tasks. Furthermore, we evaluate multiple representative LVLMs, including closed-source models such as GPT-4o and open-source models like BLIP-2. This evaluation not only validates the effectiveness of our benchmark but also provides an in-depth performance analysis of current LVLMs on various multimodal tasks in the insurance domain. We hope that INS-MMBench will facilitate the further application of LVLMs in the insurance domain and inspire interdisciplinary development. Our dataset and evaluation code are available at https://github.com/FDU-INS/INS-MMBench.
Authors: Halil Bisgin, Andres Palechor, Mike Suter, Manuel G\"unther
Abstract: The goal for classification is to correctly assign labels to unseen samples. However, most methods misclassify samples with unseen labels and assign them to one of the known classes. Open-Set Classification (OSC) algorithms aim to maximize both closed and open-set recognition capabilities. Recent studies showed the utility of such algorithms on small-scale data sets, but limited experimentation makes it difficult to assess their performances in real-world problems. Here, we provide a comprehensive comparison of various OSC algorithms, including training-based (SoftMax, Garbage, EOS) and post-processing methods (Maximum SoftMax Scores, Maximum Logit Scores, OpenMax, EVM, PROSER), the latter are applied on features from the former. We perform our evaluation on three large-scale protocols that mimic real-world challenges, where we train on known and negative open-set samples, and test on known and unknown instances. Our results show that EOS helps to improve performance of almost all post-processing algorithms. Particularly, OpenMax and PROSER are able to exploit better-trained networks, demonstrating the utility of hybrid models. However, while most algorithms work well on negative test samples -- samples of open-set classes seen during training -- they tend to perform poorly when tested on samples of previously unseen unknown classes, especially in challenging conditions.
Authors: Xuan Zhang, Chao Du, Tianyu Pang, Qian Liu, Wei Gao, Min Lin
Abstract: The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through Chain of Preference Optimization (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at https://github.com/sail-sg/CPO.
Authors: Vincent Cohen-Addad, Silvio Lattanzi, Andreas Maggiori, Nikos Parotsidis
Abstract: We study the classic problem of correlation clustering in dynamic node streams. In this setting, nodes are either added or randomly deleted over time, and each node pair is connected by a positive or negative edge. The objective is to continuously find a partition which minimizes the sum of positive edges crossing clusters and negative edges within clusters. We present an algorithm that maintains an $O(1)$-approximation with $O$(polylog $n$) amortized update time. Prior to our work, Behnezhad, Charikar, Ma, and L. Tan achieved a $5$-approximation with $O(1)$ expected update time in edge streams which translates in node streams to an $O(D)$-update time where $D$ is the maximum possible degree. Finally we complement our theoretical analysis with experiments on real world data.
Authors: Melvin Wong, Thiago Rios, Stefan Menzel, Yew Soon Ong
Abstract: Engineering design optimization requires an efficient combination of a 3D shape representation, an optimization algorithm, and a design performance evaluation method, which is often computationally expensive. We present a prompt evolution design optimization (PEDO) framework contextualized in a vehicle design scenario that leverages a vision-language model for penalizing impractical car designs synthesized by a generative model. The backbone of our framework is an evolutionary strategy coupled with an optimization objective function that comprises a physics-based solver and a vision-language model for practical or functional guidance in the generated car designs. In the prompt evolutionary search, the optimizer iteratively generates a population of text prompts, which embed user specifications on the aerodynamic performance and visual preferences of the 3D car designs. Then, in addition to the computational fluid dynamics simulations, the pre-trained vision-language model is used to penalize impractical designs and, thus, foster the evolutionary algorithm to seek more viable designs. Our investigations on a car design optimization problem show a wide spread of potential car designs generated at the early phase of the search, which indicates a good diversity of designs in the initial populations, and an increase of over 20\% in the probability of generating practical designs compared to a baseline framework without using a vision-language model. Visual inspection of the designs against the performance results demonstrates prompt evolution as a very promising paradigm for finding novel designs with good optimization performance while providing ease of use in specifying design specifications and preferences via a natural language interface.
Authors: Vasileios Tsouvalas, Samaneh Mohammadi, Ali Balador, Tanir Ozcelebi, Francesco Flammini, Nirvana Meratnia
Abstract: Federated Learning (FL) enables model training across decentralized devices by communicating solely local model updates to an aggregation server. Although such limited data sharing makes FL more secure than centralized approached, FL remains vulnerable to inference attacks during model update transmissions. Existing secure aggregation approaches rely on differential privacy or cryptographic schemes like Functional Encryption (FE) to safeguard individual client data. However, such strategies can reduce performance or introduce unacceptable computational and communication overheads on clients running on edge devices with limited resources. In this work, we present EncCluster, a novel method that integrates model compression through weight clustering with recent decentralized FE and privacy-enhancing data encoding using probabilistic filters to deliver strong privacy guarantees in FL without affecting model performance or adding unnecessary burdens to clients. We performed a comprehensive evaluation, spanning various datasets and architectures, to demonstrate EncCluster's scalability across encryption levels. Our findings reveal that EncCluster significantly reduces communication costs - below even conventional FedAvg - and accelerates encryption by more than four times over all baselines; at the same time, it maintains high model accuracy and enhanced privacy assurances.
Authors: A B M Ashikur Rahman, Saeed Anwar, Muhammad Usman, Ajmal Mian
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities, revolutionizing the integration of AI in daily life applications. However, they are prone to hallucinations, generating claims that contradict established facts, deviating from prompts, and producing inconsistent responses when the same prompt is presented multiple times. Addressing these issues is challenging due to the lack of comprehensive and easily assessable benchmark datasets. Most existing datasets are small and rely on multiple-choice questions, which are inadequate for evaluating the generative prowess of LLMs. To measure hallucination in LLMs, this paper introduces a comprehensive benchmark dataset comprising over 75,000 prompts across eight domains. These prompts are designed to elicit definitive, concise, and informative answers. The dataset is divided into two segments: one publicly available for testing and assessing LLM performance and a hidden segment for benchmarking various LLMs. In our experiments, we tested six LLMs-GPT-3.5, LLama 2, LLama 3, Gemini, Mixtral, and Zephyr-revealing that overall factual hallucination ranges from 59% to 82% on the public dataset and 57% to 76% in the hidden benchmark. Prompt misalignment hallucination ranges from 6% to 95% in the public dataset and 17% to 94% in the hidden counterpart. Average consistency ranges from 21% to 61% and 22% to 63%, respectively. Domain-wise analysis shows that LLM performance significantly deteriorates when asked for specific numeric information while performing moderately with person, location, and date queries. Our dataset demonstrates its efficacy and serves as a comprehensive benchmark for LLM performance evaluation. Our dataset and LLMs responses are available at \href{https://github.com/ashikiut/DefAn}{https://github.com/ashikiut/DefAn}.
URLs: https://github.com/ashikiut/DefAn, https://github.com/ashikiut/DefAn
Authors: Soufiane Belharbi, Mara KM Whitford, Phuong Hoang, Shakeeb Murtaza, Luke McCaffrey, Eric Granger
Abstract: Confocal fluorescence microscopy is one of the most accessible and widely used imaging techniques for the study of biological processes. Scanning confocal microscopy allows the capture of high-quality images from 3D samples, yet suffers from well-known limitations such as photobleaching and phototoxicity of specimens caused by intense light exposure, which limits its use in some applications, especially for living cells. Cellular damage can be alleviated by changing imaging parameters to reduce light exposure, often at the expense of image quality. Machine/deep learning methods for single-image super-resolution (SISR) can be applied to restore image quality by upscaling lower-resolution (LR) images to produce high-resolution images (HR). These SISR methods have been successfully applied to photo-realistic images due partly to the abundance of publicly available data. In contrast, the lack of publicly available data partly limits their application and success in scanning confocal microscopy. In this paper, we introduce a large scanning confocal microscopy dataset named SR-CACO-2 that is comprised of low- and high-resolution image pairs marked for three different fluorescent markers. It allows the evaluation of performance of SISR methods on three different upscaling levels (X2, X4, X8). SR-CACO-2 contains the human epithelial cell line Caco-2 (ATCC HTB-37), and it is composed of 22 tiles that have been translated in the form of 9,937 image patches for experiments with SISR methods. Given the new SR-CACO-2 dataset, we also provide benchmarking results for 15 state-of-the-art methods that are representative of the main SISR families. Results show that these methods have limited success in producing high-resolution textures, indicating that SR-CACO-2 represents a challenging problem. Our dataset, code and pretrained weights are available: https://github.com/sbelharbi/sr-caco-2.
Authors: Elouan Argouarc'h, Fran\c{c}ois Desbouvries, Eric Barat, Eiji Kawasaki
Abstract: Learning a parametric model from a given dataset indeed enables to capture intrinsic dependencies between random variables via a parametric conditional probability distribution and in turn predict the value of a label variable given observed variables. In this paper, we undertake a comparative analysis of generative and discriminative approaches which differ in their construction and the structure of the underlying inference problem. Our objective is to compare the ability of both approaches to leverage information from various sources in an epistemic uncertainty aware inference via the posterior predictive distribution. We assess the role of a prior distribution, explicit in the generative case and implicit in the discriminative case, leading to a discussion about discriminative models suffering from imbalanced dataset. We next examine the double role played by the observed variables in the generative case, and discuss the compatibility of both approaches with semi-supervised learning. We also provide with practical insights and we examine how the modeling choice impacts the sampling from the posterior predictive distribution. With regard to this, we propose a general sampling scheme enabling supervised learning for both approaches, as well as semi-supervised learning when compatible with the considered modeling approach. Throughout this paper, we illustrate our arguments and conclusions using the example of affine regression, and validate our comparative analysis through classification simulations using neural network based models.
Authors: Alan Nawzad Amin, Andrew Gordon Wilson
Abstract: To make accurate predictions, understand mechanisms, and design interventions in systems of many variables, we wish to learn causal graphs from large scale data. Unfortunately the space of all possible causal graphs is enormous so scalably and accurately searching for the best fit to the data is a challenge. In principle we could substantially decrease the search space, or learn the graph entirely, by testing the conditional independence of variables. However, deciding if two variables are adjacent in a causal graph may require an exponential number of tests. Here we build a scalable and flexible method to evaluate if two variables are adjacent in a causal graph, the Differentiable Adjacency Test (DAT). DAT replaces an exponential number of tests with a provably equivalent relaxed problem. It then solves this problem by training two neural networks. We build a graph learning method based on DAT, DAT-Graph, that can also learn from data with interventions. DAT-Graph can learn graphs of 1000 variables with state of the art accuracy. Using the graph learned by DAT-Graph, we also build models that make much more accurate predictions of the effects of interventions on large scale RNA sequencing data.
Authors: Yining Wang, Wanli Ni, Wenqiang Yi, Xiaodong Xu, Ping Zhang, Arumugam Nallanathan
Abstract: In this letter, we design a federated contrastive learning (FedCL) framework aimed at supporting personalized semantic communication. Our FedCL enables collaborative training of local semantic encoders across multiple clients and a global semantic decoder owned by the base station. This framework supports heterogeneous semantic encoders since it does not require client-side model aggregation. Furthermore, to tackle the semantic imbalance issue arising from heterogeneous datasets across distributed clients, we employ contrastive learning to train a semantic centroid generator (SCG). This generator obtains representative global semantic centroids that exhibit intra-semantic compactness and inter-semantic separability. Consequently, it provides superior supervision for learning discriminative local semantic features. Additionally, we conduct theoretical analysis to quantify the convergence performance of FedCL. Simulation results verify the superiority of the proposed FedCL framework compared to other distributed learning benchmarks in terms of task performance and robustness under different numbers of clients and channel conditions, especially in low signal-to-noise ratio and highly heterogeneous data scenarios.
Authors: Mihailo Stojnic
Abstract: We consider correlated \emph{factor} regression models (FRM) and analyze the performance of classical ridge interpolators. Utilizing powerful \emph{Random Duality Theory} (RDT) mathematical engine, we obtain \emph{precise} closed form characterizations of the underlying optimization problems and all associated optimizing quantities. In particular, we provide \emph{excess prediction risk} characterizations that clearly show the dependence on all key model parameters, covariance matrices, loadings, and dimensions. As a function of the over-parametrization ratio, the generalized least squares (GLS) risk also exhibits the well known \emph{double-descent} (non-monotonic) behavior. Similarly to the classical linear regression models (LRM), we demonstrate that such FRM phenomenon can be smoothened out by the optimally tuned ridge regularization. The theoretical results are supplemented by numerical simulations and an excellent agrement between the two is observed. Moreover, we note that ``ridge smootenhing'' is often of limited effect already for over-parametrization ratios above $5$ and of virtually no effect for those above $10$. This solidifies the notion that one of the recently most popular neural networks paradigms -- \emph{zero-training (interpolating) generalizes well} -- enjoys wider applicability, including the one within the FRM estimation/prediction context.
Authors: Honam Wong, Wendao Wu, Fanghui Liu, Yiping Lu
Abstract: Recent advances in machine learning theory showed that interpolation to noisy samples using over-parameterized machine learning algorithms always leads to inconsistency. However, this work surprisingly discovers that interpolated machine learning can exhibit benign overfitting and consistency when using physics-informed learning for supervised tasks governed by partial differential equations (PDEs) describing laws of physics. An analysis provides an asymptotic Sobolev norm learning curve for kernel ridge(less) regression addressing linear inverse problems involving elliptic PDEs. The results reveal that the PDE operators can stabilize variance and lead to benign overfitting for fixed-dimensional problems, contrasting standard regression settings. The impact of various inductive biases introduced by minimizing different Sobolev norms as implicit regularization is also examined. Notably, the convergence rate is independent of the specific (smooth) inductive bias for both ridge and ridgeless regression. For regularized least squares estimators, all (smooth enough) inductive biases can achieve optimal convergence rates when the regularization parameter is properly chosen. The smoothness requirement recovers a condition previously found in the Bayesian setting and extends conclusions to minimum norm interpolation estimators.
Authors: Ke Fan, Zechen Bai, Tianjun Xiao, Tong He, Max Horn, Yanwei Fu, Francesco Locatello, Zheng Zhang
Abstract: Object-centric learning (OCL) extracts the representation of objects with slots, offering an exceptional blend of flexibility and interpretability for abstracting low-level perceptual features. A widely adopted method within OCL is slot attention, which utilizes attention mechanisms to iteratively refine slot representations. However, a major drawback of most object-centric models, including slot attention, is their reliance on predefining the number of slots. This not only necessitates prior knowledge of the dataset but also overlooks the inherent variability in the number of objects present in each instance. To overcome this fundamental limitation, we present a novel complexity-aware object auto-encoder framework. Within this framework, we introduce an adaptive slot attention (AdaSlot) mechanism that dynamically determines the optimal number of slots based on the content of the data. This is achieved by proposing a discrete slot sampling module that is responsible for selecting an appropriate number of slots from a candidate list. Furthermore, we introduce a masked slot decoder that suppresses unselected slots during the decoding process. Our framework, tested extensively on object discovery tasks with various datasets, shows performance matching or exceeding top fixed-slot models. Moreover, our analysis substantiates that our method exhibits the capability to dynamically adapt the slot number according to each instance's complexity, offering the potential for further exploration in slot attention research. Project will be available at https://kfan21.github.io/AdaSlot/
Authors: Mihailo Stojnic
Abstract: We consider fully row/column-correlated linear regression models and study several classical estimators (including minimum norm interpolators (GLS), ordinary least squares (LS), and ridge regressors). We show that \emph{Random Duality Theory} (RDT) can be utilized to obtain precise closed form characterizations of all estimators related optimizing quantities of interest, including the \emph{prediction risk} (testing or generalization error). On a qualitative level out results recover the risk's well known non-monotonic (so-called double-descent) behavior as the number of features/sample size ratio increases. On a quantitative level, our closed form results show how the risk explicitly depends on all key model parameters, including the problem dimensions and covariance matrices. Moreover, a special case of our results, obtained when intra-sample (or time-series) correlations are not present, precisely match the corresponding ones obtained via spectral methods in [6,16,17,24].
Authors: Christopher Schr\"oder, Gerhard Heyer
Abstract: Active learning is an iterative labeling process that is used to obtain a small labeled subset, despite the absence of labeled data, thereby enabling to train a model for supervised tasks such as text classification. While active learning has made considerable progress in recent years due to improvements provided by pre-trained language models, there is untapped potential in the often neglected unlabeled portion of the data, although it is available in considerably larger quantities than the usually small set of labeled data. Here we investigate how self-training, a semi-supervised approach where a model is used to obtain pseudo-labels from the unlabeled data, can be used to improve the efficiency of active learning for text classification. Starting with an extensive reproduction of four previous self-training approaches, some of which are evaluated for the first time in the context of active learning or natural language processing, we devise HAST, a new and effective self-training strategy, which is evaluated on four text classification benchmarks, on which it outperforms the reproduced self-training approaches and reaches classification results comparable to previous experiments for three out of four datasets, using only 25% of the data.
Authors: Wa\"iss Azizian, Franck Iutzeler, J\'er\^ome Malick, Panayotis Mertikopoulos
Abstract: In this paper, we examine the long-run distribution of stochastic gradient descent (SGD) in general, non-convex problems. Specifically, we seek to understand which regions of the problem's state space are more likely to be visited by SGD, and by how much. Using an approach based on the theory of large deviations and randomly perturbed dynamical systems, we show that the long-run distribution of SGD resembles the Boltzmann-Gibbs distribution of equilibrium thermodynamics with temperature equal to the method's step-size and energy levels determined by the problem's objective and the statistics of the noise. In particular, we show that, in the long run, (a) the problem's critical region is visited exponentially more often than any non-critical region; (b) the iterates of SGD are exponentially concentrated around the problem's minimum energy state (which does not always coincide with the global minimum of the objective); (c) all other connected components of critical points are visited with frequency that is exponentially proportional to their energy level; and, finally (d) any component of local maximizers or saddle points is "dominated" by a component of local minimizers which is visited exponentially more often.
Authors: Moo Jin Kim, Karl Pertsch, Siddharth Karamcheti, Ted Xiao, Ashwin Balakrishna, Suraj Nair, Rafael Rafailov, Ethan Foster, Grace Lam, Pannag Sanketi, Quan Vuong, Thomas Kollar, Benjamin Burchfiel, Russ Tedrake, Dorsa Sadigh, Sergey Levine, Percy Liang, Chelsea Finn
Abstract: Large policies pretrained on a combination of Internet-scale vision-language data and diverse robot demonstrations have the potential to change how we teach robots new skills: rather than training new behaviors from scratch, we can fine-tune such vision-language-action (VLA) models to obtain robust, generalizable policies for visuomotor control. Yet, widespread adoption of VLAs for robotics has been challenging as 1) existing VLAs are largely closed and inaccessible to the public, and 2) prior work fails to explore methods for efficiently fine-tuning VLAs for new tasks, a key component for adoption. Addressing these challenges, we introduce OpenVLA, a 7B-parameter open-source VLA trained on a diverse collection of 970k real-world robot demonstrations. OpenVLA builds on a Llama 2 language model combined with a visual encoder that fuses pretrained features from DINOv2 and SigLIP. As a product of the added data diversity and new model components, OpenVLA demonstrates strong results for generalist manipulation, outperforming closed models such as RT-2-X (55B) by 16.5% in absolute task success rate across 29 tasks and multiple robot embodiments, with 7x fewer parameters. We further show that we can effectively fine-tune OpenVLA for new settings, with especially strong generalization results in multi-task environments involving multiple objects and strong language grounding abilities, and outperform expressive from-scratch imitation learning methods such as Diffusion Policy by 20.4%. We also explore compute efficiency; as a separate contribution, we show that OpenVLA can be fine-tuned on consumer GPUs via modern low-rank adaptation methods and served efficiently via quantization without a hit to downstream success rate. Finally, we release model checkpoints, fine-tuning notebooks, and our PyTorch codebase with built-in support for training VLAs at scale on Open X-Embodiment datasets.
Authors: Samar Fares, Klea Ziu, Toluwani Aremu, Nikita Durasov, Martin Tak\'a\v{c}, Pascal Fua, Karthik Nandakumar, Ivan Laptev
Abstract: Vision-Language Models (VLMs) are becoming increasingly vulnerable to adversarial attacks as various novel attack strategies are being proposed against these models. While existing defenses excel in unimodal contexts, they currently fall short in safeguarding VLMs against adversarial threats. To mitigate this vulnerability, we propose a novel, yet elegantly simple approach for detecting adversarial samples in VLMs. Our method leverages Text-to-Image (T2I) models to generate images based on captions produced by target VLMs. Subsequently, we calculate the similarities of the embeddings of both input and generated images in the feature space to identify adversarial samples. Empirical evaluations conducted on different datasets validate the efficacy of our approach, outperforming baseline methods adapted from image classification domains. Furthermore, we extend our methodology to classification tasks, showcasing its adaptability and model-agnostic nature. Theoretical analyses and empirical findings also show the resilience of our approach against adaptive attacks, positioning it as an excellent defense mechanism for real-world deployment against adversarial threats.
Authors: Tamim El Ahmad, Junjie Yang, Pierre Laforgue, Florence d'Alch\'e-Buc
Abstract: By leveraging the kernel trick in the output space, kernel-induced losses provide a principled way to define structured output prediction tasks for a wide variety of output modalities. In particular, they have been successfully used in the context of surrogate non-parametric regression, where the kernel trick is typically exploited in the input space as well. However, when inputs are images or texts, more expressive models such as deep neural networks seem more suited than non-parametric methods. In this work, we tackle the question of how to train neural networks to solve structured output prediction tasks, while still benefiting from the versatility and relevance of kernel-induced losses. We design a novel family of deep neural architectures, whose last layer predicts in a data-dependent finite-dimensional subspace of the infinite-dimensional output feature space deriving from the kernel-induced loss. This subspace is chosen as the span of the eigenfunctions of a randomly-approximated version of the empirical kernel covariance operator. Interestingly, this approach unlocks the use of gradient descent algorithms (and consequently of any neural architecture) for structured prediction. Experiments on synthetic tasks as well as real-world supervised graph prediction problems show the relevance of our method.
Authors: Izumi Takahara, Kiyou Shibata, Teruyasu Mizoguchi
Abstract: Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and plausible data, it remains an open question whether they can effectively accelerate scientific discovery through the data generation and drive significant advancements across various scientific fields. In particular, the discovery of new inorganic materials with promising properties poses a critical challenge, both scientifically and for industrial applications. However, unlike textual or image data, materials, or more specifically crystal structures, consist of multiple types of variables - including lattice vectors, atom positions, and atomic species. This complexity in data give rise to a variety of approaches for representing and generating such data. Consequently, the design choices of generative models for crystal structures remain an open question. In this study, we explore a new type of diffusion model for the generative inverse design of crystal structures, with a backbone based on a Transformer architecture. We demonstrate our models are superior to previous methods in their versatility for generating crystal structures with desired properties. Furthermore, our empirical results suggest that the optimal conditioning methods vary depending on the dataset.
Authors: Waris Quamer, Ricardo Gutierrez-Osuna
Abstract: Speaker anonymization aims to conceal cues to speaker identity while preserving linguistic content. Current machine learning based approaches require substantial computational resources, hindering real-time streaming applications. To address these concerns, we propose a streaming model that achieves speaker anonymization with low latency. The system is trained in an end-to-end autoencoder fashion using a lightweight content encoder that extracts HuBERT-like information, a pretrained speaker encoder that extract speaker identity, and a variance encoder that injects pitch and energy information. These three disentangled representations are fed to a decoder that resynthesizes the speech signal. We present evaluation results from two implementations of our system, a full model that achieves a latency of 230ms, and a lite version (0.1x in size) that further reduces latency to 66ms while maintaining state-of-the-art performance in naturalness, intelligibility, and privacy preservation.
Authors: Sarah Ball, Frauke Kreuter, Nina Rimsky
Abstract: Conversational Large Language Models are trained to refuse to answer harmful questions. However, emergent jailbreaking techniques can still elicit unsafe outputs, presenting an ongoing challenge for model alignment. To better understand how different jailbreak types circumvent safeguards, this paper analyses model activations on different jailbreak inputs. We find that it is possible to extract a jailbreak vector from a single class of jailbreaks that works to mitigate jailbreak effectiveness from other classes. This may indicate that different kinds of effective jailbreaks operate via similar internal mechanisms. We investigate a potential common mechanism of harmfulness feature suppression, and provide evidence for its existence by looking at the harmfulness vector component. These findings offer actionable insights for developing more robust jailbreak countermeasures and lay the groundwork for a deeper, mechanistic understanding of jailbreak dynamics in language models.
Authors: Ziyi Wu, Yulia Rubanova, Rishabh Kabra, Drew A. Hudson, Igor Gilitschenski, Yusuf Aytar, Sjoerd van Steenkiste, Kelsey R. Allen, Thomas Kipf
Abstract: We address the problem of multi-object 3D pose control in image diffusion models. Instead of conditioning on a sequence of text tokens, we propose to use a set of per-object representations, Neural Assets, to control the 3D pose of individual objects in a scene. Neural Assets are obtained by pooling visual representations of objects from a reference image, such as a frame in a video, and are trained to reconstruct the respective objects in a different image, e.g., a later frame in the video. Importantly, we encode object visuals from the reference image while conditioning on object poses from the target frame. This enables learning disentangled appearance and pose features. Combining visual and 3D pose representations in a sequence-of-tokens format allows us to keep the text-to-image architecture of existing models, with Neural Assets in place of text tokens. By fine-tuning a pre-trained text-to-image diffusion model with this information, our approach enables fine-grained 3D pose and placement control of individual objects in a scene. We further demonstrate that Neural Assets can be transferred and recomposed across different scenes. Our model achieves state-of-the-art multi-object editing results on both synthetic 3D scene datasets, as well as two real-world video datasets (Objectron, Waymo Open).
Authors: Wilfried Bounsi, Borja Ibarz, Andrew Dudzik, Jessica B. Hamrick, Larisa Markeeva, Alex Vitvitskyi, Razvan Pascanu, Petar Veli\v{c}kovi\'c
Abstract: Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding (NLU) tasks. However, such language models remain fragile when tasked with algorithmic forms of reasoning, where computations must be precise and robust. To address this limitation, we propose a novel approach that combines the Transformer's language understanding with the robustness of graph neural network (GNN)-based neural algorithmic reasoners (NARs). Such NARs proved effective as generic solvers for algorithmic tasks, when specified in graph form. To make their embeddings accessible to a Transformer, we propose a hybrid architecture with a two-phase training procedure, allowing the tokens in the language model to cross-attend to the node embeddings from the NAR. We evaluate our resulting TransNAR model on CLRS-Text, the text-based version of the CLRS-30 benchmark, and demonstrate significant gains over Transformer-only models for algorithmic reasoning, both in and out of distribution.
Authors: Luca Galimberti
Abstract: Leveraging the infinite dimensional neural network architecture we proposed in arXiv:2109.13512v4 and which can process inputs from Fr\'echet spaces, and using the universal approximation property shown therein, we now largely extend the scope of this architecture by proving several universal approximation theorems for a vast class of input and output spaces. More precisely, the input space $\mathfrak X$ is allowed to be a general topological space satisfying only a mild condition ("quasi-Polish"), and the output space can be either another quasi-Polish space $\mathfrak Y$ or a topological vector space $E$. Similarly to arXiv:2109.13512v4, we show furthermore that our neural network architectures can be projected down to "finite dimensional" subspaces with any desirable accuracy, thus obtaining approximating networks that are easy to implement and allow for fast computation and fitting. The resulting neural network architecture is therefore applicable for prediction tasks based on functional data. To the best of our knowledge, this is the first result which deals with such a wide class of input/output spaces and simultaneously guarantees the numerical feasibility of the ensuing architectures. Finally, we prove an obstruction result which indicates that the category of quasi-Polish spaces is in a certain sense the correct category to work with if one aims at constructing approximating architectures on infinite-dimensional spaces $\mathfrak X$ which, at the same time, have sufficient expressive power to approximate continuous functions on $\mathfrak X$, are specified by a finite number of parameters only and are "stable" with respect to these parameters.
Authors: Zhuolin Fu
Abstract: In this paper, we show how Transformers can be interpreted as dense Expectation-Maximization algorithms performed on Bayesian Nets. Based on the above interpretation, we propose a new model design paradigm, namely Vertical LoRA (VLoRA), which reduces the parameter count dramatically while preserving performance. In VLoRA, a model consists of layers, each of which recursively learns an increment based on the previous layer. We then apply LoRA decomposition to the increments. VLoRA works on the base model, which is orthogonal to LoRA, meaning they can be used together. We do experiments on various tasks and models. The results show that 1) with VLoRA, the Transformer model parameter count can be reduced dramatically and 2) the performance of the original model is preserved. The source code is available at \url{https://github.com/neverUseThisName/vlora}
Authors: Federico Spagnolo, Nataliia Molchanova, Roger Schaer, Meritxell Bach Cuadra, Mario Ocampo Pineda, Lester Melie-Garcia, Cristina Granziera, Vincent Andrearczyk, Adrien Depeursinge
Abstract: In recent years, explainable methods for artificial intelligence (XAI) have tried to reveal and describe models' decision mechanisms in the case of classification tasks. However, XAI for semantic segmentation and in particular for single instances has been little studied to date. Understanding the process underlying automatic segmentation of single instances is crucial to reveal what information was used to detect and segment a given object of interest. In this study, we proposed two instance-level explanation maps for semantic segmentation based on SmoothGrad and Grad-CAM++ methods. Then, we investigated their relevance for the detection and segmentation of white matter lesions (WML), a magnetic resonance imaging (MRI) biomarker in multiple sclerosis (MS). 687 patients diagnosed with MS for a total of 4043 FLAIR and MPRAGE MRI scans were collected at the University Hospital of Basel, Switzerland. Data were randomly split into training, validation and test sets to train a 3D U-Net for MS lesion segmentation. We observed 3050 true positive (TP), 1818 false positive (FP), and 789 false negative (FN) cases. We generated instance-level explanation maps for semantic segmentation, by developing two XAI methods based on SmoothGrad and Grad-CAM++. We investigated: 1) the distribution of gradients in saliency maps with respect to both input MRI sequences; 2) the model's response in the case of synthetic lesions; 3) the amount of perilesional tissue needed by the model to segment a lesion. Saliency maps (based on SmoothGrad) in FLAIR showed positive values inside a lesion and negative in its neighborhood. Peak values of saliency maps generated for these four groups of volumes presented distributions that differ significantly from one another, suggesting a quantitative nature of the proposed saliency. Contextual information of 7mm around the lesion border was required for their segmentation.
Authors: V. Arvind, Johannes K\"obler, Oleg Verbitsky
Abstract: One of the most basic facts related to the famous Ulam reconstruction conjecture is that the connectedness of a graph can be determined by the deck of its vertex-deleted subgraphs, which are considered up to isomorphism. We strengthen this result by proving that connectedness can still be determined when the subgraphs in the deck are given up to equivalence under the color refinement isomorphism test. Consequently, this implies that connectedness is recognizable by Reconstruction Graph Neural Networks, a recently introduced GNN architecture inspired by the reconstruction conjecture (Cotta, Morris, Ribeiro 2021).
Authors: Yifan Wu, Jason Hartline
Abstract: Scoring rules evaluate probabilistic forecasts of an unknown state against the realized state and are a fundamental building block in the incentivized elicitation of information and the training of machine learning models. This paper develops mechanisms for scoring elicited text against ground truth text using domain-knowledge-free queries to a large language model (specifically ChatGPT) and empirically evaluates their alignment with human preferences. The empirical evaluation is conducted on peer reviews from a peer-grading dataset and in comparison to manual instructor scores for the peer reviews.
Authors: Desai Xie, Sai Bi, Zhixin Shu, Kai Zhang, Zexiang Xu, Yi Zhou, S\"oren Pirk, Arie Kaufman, Xin Sun, Hao Tan
Abstract: We present LRM-Zero, a Large Reconstruction Model (LRM) trained entirely on synthesized 3D data, achieving high-quality sparse-view 3D reconstruction. The core of LRM-Zero is our procedural 3D dataset, Zeroverse, which is automatically synthesized from simple primitive shapes with random texturing and augmentations (e.g., height fields, boolean differences, and wireframes). Unlike previous 3D datasets (e.g., Objaverse) which are often captured or crafted by humans to approximate real 3D data, Zeroverse completely ignores realistic global semantics but is rich in complex geometric and texture details that are locally similar to or even more intricate than real objects. We demonstrate that our LRM-Zero, trained with our fully synthesized Zeroverse, can achieve high visual quality in the reconstruction of real-world objects, competitive with models trained on Objaverse. We also analyze several critical design choices of Zeroverse that contribute to LRM-Zero's capability and training stability. Our work demonstrates that 3D reconstruction, one of the core tasks in 3D vision, can potentially be addressed without the semantics of real-world objects. The Zeroverse's procedural synthesis code and interactive visualization are available at: https://desaixie.github.io/lrm-zero/.
Authors: Gautam Chandrasekaran, Adam R. Klivans, Vasilis Kontonis, Konstantinos Stavropoulos, Arsen Vasilyan
Abstract: A fundamental notion of distance between train and test distributions from the field of domain adaptation is discrepancy distance. While in general hard to compute, here we provide the first set of provably efficient algorithms for testing localized discrepancy distance, where discrepancy is computed with respect to a fixed output classifier. These results imply a broad set of new, efficient learning algorithms in the recently introduced model of Testable Learning with Distribution Shift (TDS learning) due to Klivans et al. (2023). Our approach generalizes and improves all prior work on TDS learning: (1) we obtain universal learners that succeed simultaneously for large classes of test distributions, (2) achieve near-optimal error rates, and (3) give exponential improvements for constant depth circuits. Our methods further extend to semi-parametric settings and imply the first positive results for low-dimensional convex sets. Additionally, we separate learning and testing phases and obtain algorithms that run in fully polynomial time at test time.
Authors: Cyril B\'en\'ezet, Ziteng Cheng, Sebastian Jaimungal
Abstract: We investigate sample-based learning of conditional distributions on multi-dimensional unit boxes, allowing for different dimensions of the feature and target spaces. Our approach involves clustering data near varying query points in the feature space to create empirical measures in the target space. We employ two distinct clustering schemes: one based on a fixed-radius ball and the other on nearest neighbors. We establish upper bounds for the convergence rates of both methods and, from these bounds, deduce optimal configurations for the radius and the number of neighbors. We propose to incorporate the nearest neighbors method into neural network training, as our empirical analysis indicates it has better performance in practice. For efficiency, our training process utilizes approximate nearest neighbors search with random binary space partitioning. Additionally, we employ the Sinkhorn algorithm and a sparsity-enforced transport plan. Our empirical findings demonstrate that, with a suitably designed structure, the neural network has the ability to adapt to a suitable level of Lipschitz continuity locally. For reproducibility, our code is available at \url{https://github.com/zcheng-a/LCD_kNN}.
Authors: Youngtaek Oh, Pyunghwan Ahn, Jinhyung Kim, Gwangmo Song, Soonyoung Lee, In So Kweon, Junmo Kim
Abstract: Vision and language models (VLMs) such as CLIP have showcased remarkable zero-shot recognition abilities yet face challenges in visio-linguistic compositionality, particularly in linguistic comprehension and fine-grained image-text alignment. This paper explores the intricate relationship between compositionality and recognition -- two pivotal aspects of VLM capability. We conduct a comprehensive evaluation of existing VLMs, covering both pre-training approaches aimed at recognition and the fine-tuning methods designed to improve compositionality. Our evaluation employs 12 benchmarks for compositionality, along with 21 zero-shot classification and two retrieval benchmarks for recognition. In our analysis from 274 CLIP model checkpoints, we reveal patterns and trade-offs that emerge between compositional understanding and recognition accuracy. Ultimately, this necessitates strategic efforts towards developing models that improve both capabilities, as well as the meticulous formulation of benchmarks for compositionality. We open our evaluation framework at https://github.com/ytaek-oh/vl_compo.
Authors: Rajatsubhra Chakraborty, Arkaprava Sinha, Dominick Reilly, Manish Kumar Govind, Pu Wang, Francois Bremond, Srijan Das
Abstract: Large Language Vision Models (LLVMs) have demonstrated effectiveness in processing internet videos, yet they struggle with the visually perplexing dynamics present in Activities of Daily Living (ADL) due to limited pertinent datasets and models tailored to relevant cues. To this end, we propose a framework for curating ADL multiview datasets to fine-tune LLVMs, resulting in the creation of ADL-X, comprising 100K RGB video-instruction pairs, language descriptions, 3D skeletons, and action-conditioned object trajectories. We introduce LLAVIDAL, an LLVM capable of incorporating 3D poses and relevant object trajectories to understand the intricate spatiotemporal relationships within ADLs. Furthermore, we present a novel benchmark, ADLMCQ, for quantifying LLVM effectiveness in ADL scenarios. When trained on ADL-X, LLAVIDAL consistently achieves state-of-the-art performance across all ADL evaluation metrics. Qualitative analysis reveals LLAVIDAL's temporal reasoning capabilities in understanding ADL. The link to the dataset is provided at: https://adl-x.github.io/
URLs: https://adl-x.github.io/
Authors: Jianing Yang, Harshine Visvanathan, Yilin Wang, Xinyi Hu, Matthew Gormley
Abstract: Many tasks within NLP can be framed as sequential decision problems, ranging from sequence tagging to text generation. However, for many tasks, the standard training methods, including maximum likelihood (teacher forcing) and scheduled sampling, suffer from exposure bias and a mismatch between metrics employed during training and inference. DAgger provides a solution to mitigate these problems, yet it requires a metric-specific dynamic oracle algorithm, which does not exist for many common metrics like span-based F1, ROUGE, and BLEU. In this paper, we develop these novel dynamic oracles and show they maintain DAgger's no-regret guarantee for decomposable metrics like span-based F1. We evaluate the algorithm's performance on named entity recognition (NER), text summarization, and machine translation (MT). While DAgger with dynamic oracle yields less favorable results in our MT experiments, it outperforms the baseline techniques in NER and text summarization.
Authors: Thao Nguyen, Haotian Liu, Yuheng Li, Mu Cai, Utkarsh Ojha, Yong Jae Lee
Abstract: Large Multimodal Models (LMMs) have shown remarkable capabilities across a variety of tasks (e.g., image captioning, visual question answering). While broad, their knowledge remains generic (e.g., recognizing a dog), and they are unable to handle personalized subjects (e.g., recognizing a user's pet dog). Human reasoning, in contrast, typically operates within the context of specific subjects in our surroundings. For example, one might ask, "What should I buy for my dog's birthday?"; as opposed to a generic inquiry about "What should I buy for a dog's birthday?". Similarly, when looking at a friend's image, the interest lies in seeing their activities (e.g., "my friend is holding a cat"), rather than merely observing generic human actions (e.g., "a man is holding a cat"). In this paper, we introduce the novel task of personalizing LMMs, so that they can have conversations about a specific subject. We propose Yo'LLaVA, which learns to embed a personalized subject into a set of latent tokens given a handful of example images of the subject. Our qualitative and quantitative analyses reveal that Yo'LLaVA can learn the concept more efficiently using fewer tokens and more effectively encode the visual attributes compared to strong prompting baselines (e.g., LLaVA).
Authors: Linzhan Mou, Jun-Kun Chen, Yu-Xiong Wang
Abstract: This paper proposes Instruct 4D-to-4D that achieves 4D awareness and spatial-temporal consistency for 2D diffusion models to generate high-quality instruction-guided dynamic scene editing results. Traditional applications of 2D diffusion models in dynamic scene editing often result in inconsistency, primarily due to their inherent frame-by-frame editing methodology. Addressing the complexities of extending instruction-guided editing to 4D, our key insight is to treat a 4D scene as a pseudo-3D scene, decoupled into two sub-problems: achieving temporal consistency in video editing and applying these edits to the pseudo-3D scene. Following this, we first enhance the Instruct-Pix2Pix (IP2P) model with an anchor-aware attention module for batch processing and consistent editing. Additionally, we integrate optical flow-guided appearance propagation in a sliding window fashion for more precise frame-to-frame editing and incorporate depth-based projection to manage the extensive data of pseudo-3D scenes, followed by iterative editing to achieve convergence. We extensively evaluate our approach in various scenes and editing instructions, and demonstrate that it achieves spatially and temporally consistent editing results, with significantly enhanced detail and sharpness over the prior art. Notably, Instruct 4D-to-4D is general and applicable to both monocular and challenging multi-camera scenes. Code and more results are available at immortalco.github.io/Instruct-4D-to-4D.
Authors: Jun-Kun Chen, Samuel Rota Bul\`o, Norman M\"uller, Lorenzo Porzi, Peter Kontschieder, Yu-Xiong Wang
Abstract: This paper proposes ConsistDreamer - a novel framework that lifts 2D diffusion models with 3D awareness and 3D consistency, thus enabling high-fidelity instruction-guided scene editing. To overcome the fundamental limitation of missing 3D consistency in 2D diffusion models, our key insight is to introduce three synergetic strategies that augment the input of the 2D diffusion model to become 3D-aware and to explicitly enforce 3D consistency during the training process. Specifically, we design surrounding views as context-rich input for the 2D diffusion model, and generate 3D-consistent, structured noise instead of image-independent noise. Moreover, we introduce self-supervised consistency-enforcing training within the per-scene editing procedure. Extensive evaluation shows that our ConsistDreamer achieves state-of-the-art performance for instruction-guided scene editing across various scenes and editing instructions, particularly in complicated large-scale indoor scenes from ScanNet++, with significantly improved sharpness and fine-grained textures. Notably, ConsistDreamer stands as the first work capable of successfully editing complex (e.g., plaid/checkered) patterns. Our project page is at immortalco.github.io/ConsistDreamer.
Authors: Roman Bachmann, O\u{g}uzhan Fatih Kar, David Mizrahi, Ali Garjani, Mingfei Gao, David Griffiths, Jiaming Hu, Afshin Dehghan, Amir Zamir
Abstract: Current multimodal and multitask foundation models like 4M or UnifiedIO show promising results, but in practice their out-of-the-box abilities to accept diverse inputs and perform diverse tasks are limited by the (usually rather small) number of modalities and tasks they are trained on. In this paper, we expand upon the capabilities of them by training a single model on tens of highly diverse modalities and by performing co-training on large-scale multimodal datasets and text corpora. This includes training on several semantic and geometric modalities, feature maps from recent state of the art models like DINOv2 and ImageBind, pseudo labels of specialist models like SAM and 4DHumans, and a range of new modalities that allow for novel ways to interact with the model and steer the generation, for example image metadata or color palettes. A crucial step in this process is performing discrete tokenization on various modalities, whether they are image-like, neural network feature maps, vectors, structured data like instance segmentation or human poses, or data that can be represented as text. Through this, we expand on the out-of-the-box capabilities of multimodal models and specifically show the possibility of training one model to solve at least 3x more tasks/modalities than existing ones and doing so without a loss in performance. This enables more fine-grained and controllable multimodal generation capabilities and allows us to study the distillation of models trained on diverse data and objectives into a unified model. We successfully scale the training to a three billion parameter model using tens of modalities and different datasets. The resulting models and training code are open sourced at 4m.epfl.ch.
Authors: Sheng-Yu Wang, Aaron Hertzmann, Alexei A. Efros, Jun-Yan Zhu, Richard Zhang
Abstract: The goal of data attribution for text-to-image models is to identify the training images that most influence the generation of a new image. We can define "influence" by saying that, for a given output, if a model is retrained from scratch without that output's most influential images, the model should then fail to generate that output image. Unfortunately, directly searching for these influential images is computationally infeasible, since it would require repeatedly retraining from scratch. We propose a new approach that efficiently identifies highly-influential images. Specifically, we simulate unlearning the synthesized image, proposing a method to increase the training loss on the output image, without catastrophic forgetting of other, unrelated concepts. Then, we find training images that are forgotten by proxy, identifying ones with significant loss deviations after the unlearning process, and label these as influential. We evaluate our method with a computationally intensive but "gold-standard" retraining from scratch and demonstrate our method's advantages over previous methods.
Authors: Yiyuan Zhang, Handong Li, Jing Liu, Xiangyu Yue
Abstract: We propose to build omni-modal intelligence, which is capable of understanding any modality and learning universal representations. In specific, we propose a scalable pretraining paradigm, named Multimodal Context (MiCo), which can scale up the numbers of modalities and amount of data, together with the model parameters, in the pretraining process. With MiCo, the pretrained models show significant emergent abilities in multimodal learning, which are evaluated on the following tasks: i) single-modality perception benchmarks of 10 different modalities, ii) 25 cross-modality understanding tasks of retrieval, question-answering, captioning, and iii) 18 multimodal large language model benchmarks. Our models establish 37 new records for state-of-the-art performance. We hope that our research could contribute to the development of omni-modal intelligence. Code and Models are at https://github.com/invictus717/MiCo
Authors: Amil Dravid, Yossi Gandelsman, Kuan-Chieh Wang, Rameen Abdal, Gordon Wetzstein, Alexei A. Efros, Kfir Aberman
Abstract: We investigate the space of weights spanned by a large collection of customized diffusion models. We populate this space by creating a dataset of over 60,000 models, each of which is a base model fine-tuned to insert a different person's visual identity. We model the underlying manifold of these weights as a subspace, which we term weights2weights. We demonstrate three immediate applications of this space -- sampling, editing, and inversion. First, as each point in the space corresponds to an identity, sampling a set of weights from it results in a model encoding a novel identity. Next, we find linear directions in this space corresponding to semantic edits of the identity (e.g., adding a beard). These edits persist in appearance across generated samples. Finally, we show that inverting a single image into this space reconstructs a realistic identity, even if the input image is out of distribution (e.g., a painting). Our results indicate that the weight space of fine-tuned diffusion models behaves as an interpretable latent space of identities.
Authors: Duy-Kien Nguyen, Mahmoud Assran, Unnat Jain, Martin R. Oswald, Cees G. M. Snoek, Xinlei Chen
Abstract: This work does not introduce a new method. Instead, we present an interesting finding that questions the necessity of the inductive bias -- locality in modern computer vision architectures. Concretely, we find that vanilla Transformers can operate by directly treating each individual pixel as a token and achieve highly performant results. This is substantially different from the popular design in Vision Transformer, which maintains the inductive bias from ConvNets towards local neighborhoods (e.g. by treating each 16x16 patch as a token). We mainly showcase the effectiveness of pixels-as-tokens across three well-studied tasks in computer vision: supervised learning for object classification, self-supervised learning via masked autoencoding, and image generation with diffusion models. Although directly operating on individual pixels is less computationally practical, we believe the community must be aware of this surprising piece of knowledge when devising the next generation of neural architectures for computer vision.
Authors: David McAllister, Songwei Ge, Jia-Bin Huang, David W. Jacobs, Alexei A. Efros, Aleksander Holynski, Angjoo Kanazawa
Abstract: Score distillation sampling (SDS) has proven to be an important tool, enabling the use of large-scale diffusion priors for tasks operating in data-poor domains. Unfortunately, SDS has a number of characteristic artifacts that limit its usefulness in general-purpose applications. In this paper, we make progress toward understanding the behavior of SDS and its variants by viewing them as solving an optimal-cost transport path from a source distribution to a target distribution. Under this new interpretation, these methods seek to transport corrupted images (source) to the natural image distribution (target). We argue that current methods' characteristic artifacts are caused by (1) linear approximation of the optimal path and (2) poor estimates of the source distribution. We show that calibrating the text conditioning of the source distribution can produce high-quality generation and translation results with little extra overhead. Our method can be easily applied across many domains, matching or beating the performance of specialized methods. We demonstrate its utility in text-to-2D, text-based NeRF optimization, translating paintings to real images, optical illusion generation, and 3D sketch-to-real. We compare our method to existing approaches for score distillation sampling and show that it can produce high-frequency details with realistic colors.
Authors: Minkyu Kim, Hyun-Soo Choi, Jinho Kim
Abstract: Graph neural networks (GNNs) are powerful tools for handling graph-structured data. However, their design often limits them to learning only higher-order feature interactions, leaving low-order feature interactions overlooked. To address this problem, we introduce a novel GNN method called explicit feature interaction-aware graph neural network (EFI-GNN). Unlike conventional GNNs, EFI-GNN is a multilayer linear network designed to model arbitrary-order feature interactions explicitly within graphs. To validate the efficacy of EFI-GNN, we conduct experiments using various datasets. The experimental results demonstrate that EFI-GNN has competitive performance with existing GNNs, and when a GNN is jointly trained with EFI-GNN, predictive performance sees an improvement. Furthermore, the predictions made by EFI-GNN are interpretable, owing to its linear construction. The source code of EFI-GNN is available at https://github.com/gim4855744/EFI-GNN
Authors: Ingvar Ziemann, Stephen Tu
Abstract: We study square loss in a realizable time-series framework with martingale difference noise. Our main result is a fast rate excess risk bound which shows that whenever a trajectory hypercontractivity condition holds, the risk of the least-squares estimator on dependent data matches the iid rate order-wise after a burn-in time. In comparison, many existing results in learning from dependent data have rates where the effective sample size is deflated by a factor of the mixing-time of the underlying process, even after the burn-in time. Furthermore, our results allow the covariate process to exhibit long range correlations which are substantially weaker than geometric ergodicity. We call this phenomenon learning with little mixing, and present several examples for when it occurs: bounded function classes for which the $L^2$ and $L^{2+\epsilon}$ norms are equivalent, ergodic finite state Markov chains, various parametric models, and a broad family of infinite dimensional $\ell^2(\mathbb{N})$ ellipsoids. By instantiating our main result to system identification of nonlinear dynamics with generalized linear model transitions, we obtain a nearly minimax optimal excess risk bound after only a polynomial burn-in time.
Authors: Robert Loftin, Mustafa Mert \c{C}elikok, Herke van Hoof, Samuel Kaski, Frans A. Oliehoek
Abstract: In multi-agent problems requiring a high degree of cooperation, success often depends on the ability of the agents to adapt to each other's behavior. A natural solution concept in such settings is the Stackelberg equilibrium, in which the ``leader'' agent selects the strategy that maximizes its own payoff given that the ``follower'' agent will choose their best response to this strategy. Recent work has extended this solution concept to two-player differentiable games, such as those arising from multi-agent deep reinforcement learning, in the form of the \textit{differential} Stackelberg equilibrium. While this previous work has presented learning dynamics which converge to such equilibria, these dynamics are ``coupled'' in the sense that the learning updates for the leader's strategy require some information about the follower's payoff function. As such, these methods cannot be applied to truly decentralised multi-agent settings, particularly ad hoc cooperation, where each agent only has access to its own payoff function. In this work we present ``uncoupled'' learning dynamics based on zeroth-order gradient estimators, in which each agent's strategy update depends only on their observations of the other's behavior. We analyze the convergence of these dynamics in general-sum games, and prove that they converge to differential Stackelberg equilibria under the same conditions as previous coupled methods. Furthermore, we present an online mechanism by which symmetric learners can negotiate leader-follower roles. We conclude with a discussion of the implications of our work for multi-agent reinforcement learning and ad hoc collaboration more generally.
Authors: Jiawei Huang, Niao He
Abstract: In this paper, we study the Tiered Reinforcement Learning setting, a parallel transfer learning framework, where the goal is to transfer knowledge from the low-tier (source) task to the high-tier (target) task to reduce the exploration risk of the latter while solving the two tasks in parallel. Unlike previous work, we do not assume the low-tier and high-tier tasks share the same dynamics or reward functions, and focus on robust knowledge transfer without prior knowledge on the task similarity. We identify a natural and necessary condition called the ``Optimal Value Dominance'' for our objective. Under this condition, we propose novel online learning algorithms such that, for the high-tier task, it can achieve constant regret on partial states depending on the task similarity and retain near-optimal regret when the two tasks are dissimilar, while for the low-tier task, it can keep near-optimal without making sacrifice. Moreover, we further study the setting with multiple low-tier tasks, and propose a novel transfer source selection mechanism, which can ensemble the information from all low-tier tasks and allow provable benefits on a much larger state-action space.
Authors: Zuoyu Yan, Junru Zhou, Liangcai Gao, Zhi Tang, Muhan Zhang
Abstract: We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous subgraphs, subsequently applying GNNs to each to augment the graph's overall representation. Despite their ability to identify various substructures, subgraph GNNs are hindered by significant computational and memory costs. In this paper, we tackle a critical question: Is it possible for GNNs to count substructures both \textbf{efficiently} and \textbf{provably}? Our approach begins with a theoretical demonstration that the distance to rooted nodes in subgraphs is key to boosting the counting power of subgraph GNNs. To avoid the need for repetitively applying GNN across all subgraphs, we introduce precomputed structural embeddings that encapsulate this crucial distance information. Experiments validate that our proposed model retains the counting power of subgraph GNNs while achieving significantly faster performance.
Authors: Pedro Mendes, Paolo Romano, David Garlan
Abstract: This work focuses on the problem of hyper-parameter tuning (HPT) for robust (i.e., adversarially trained) models, shedding light on the new challenges and opportunities arising during the HPT process for robust models. To this end, we conduct an extensive experimental study based on 3 popular deep models, in which we explore exhaustively 9 (discretized) HPs, 2 fidelity dimensions, and 2 attack bounds, for a total of 19208 configurations (corresponding to 50 thousand GPU hours). Through this study, we show that the complexity of the HPT problem is further exacerbated in adversarial settings due to the need to independently tune the HPs used during standard and adversarial training: succeeding in doing so (i.e., adopting different HP settings in both phases) can lead to a reduction of up to 80% and 43% of the error for clean and adversarial inputs, respectively. On the other hand, we also identify new opportunities to reduce the cost of HPT for robust models. Specifically, we propose to leverage cheap adversarial training methods to obtain inexpensive, yet highly correlated, estimations of the quality achievable using state-of-the-art methods. We show that, by exploiting this novel idea in conjunction with a recent multi-fidelity optimizer (taKG), the efficiency of the HPT process can be enhanced by up to 2.1x.
Authors: Batiste Le Bars, Aur\'elien Bellet, Marc Tommasi, Kevin Scaman, Giovanni Neglia
Abstract: This paper presents a new generalization error analysis for Decentralized Stochastic Gradient Descent (D-SGD) based on algorithmic stability. The obtained results overhaul a series of recent works that suggested an increased instability due to decentralization and a detrimental impact of poorly-connected communication graphs on generalization. On the contrary, we show, for convex, strongly convex and non-convex functions, that D-SGD can always recover generalization bounds analogous to those of classical SGD, suggesting that the choice of graph does not matter. We then argue that this result is coming from a worst-case analysis, and we provide a refined optimization-dependent generalization bound for general convex functions. This new bound reveals that the choice of graph can in fact improve the worst-case bound in certain regimes, and that surprisingly, a poorly-connected graph can even be beneficial for generalization.
Authors: Shuang Geng, Wenli Zhang, Jiaheng Xie, Gemin Liang, Ben Niu, Sudha Ram
Abstract: Online healthcare consultation in virtual health is an emerging industry marked by innovation and fierce competition. Accurate and timely prediction of healthcare consultation success can proactively help online platforms address patient concerns and improve retention rates. However, predicting online consultation success is challenging due to the partial role of virtual consultations in patients' overall healthcare journey and the disconnect between online and in-person healthcare IT systems. Patient data in online consultations is often sparse and incomplete, presenting significant technical challenges and a research gap. To address these issues, we propose the Dynamic Knowledge Network and Multimodal Data Fusion (DyKoNeM) framework, which enhances the predictive power of online healthcare consultations. Our work has important implications for new business models where specific and detailed online communication processes are stored in the IT database, and at the same time, latent information with predictive power is embedded in the network formed by stakeholders' digital traces. It can be extended to diverse industries and domains, where the virtual or hybrid model (e.g., integration of online and offline services) is emerging as a prevailing trend.
Authors: Paul Pu Liang, Chun Kai Ling, Yun Cheng, Alex Obolenskiy, Yudong Liu, Rohan Pandey, Alex Wilf, Louis-Philippe Morency, Ruslan Salakhutdinov
Abstract: In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: how modalities combine to provide new task-relevant information that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contribution is the derivation of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds: one based on the shared information between modalities and the other based on disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, we show how these theoretical results can be used to estimate multimodal model performance, guide data collection, and select appropriate multimodal models for various tasks.
Authors: Dhananjay Bhaskar, Yanlei Zhang, Charles Xu, Xingzhi Sun, Oluwadamilola Fasina, Guy Wolf, Maximilian Nickel, Michael Perlmutter, Smita Krishnaswamy
Abstract: In this paper we introduce DYMAG: a message passing paradigm for GNNs built on the expressive power of continuous, multiscale graph-dynamics. Standard discrete-time message passing algorithms implicitly make use of simplistic graph dynamics and aggregation schemes which limit their ability to capture fundamental graph topological properties. By contrast, DYMAG makes use of complex graph dynamics based on the heat and wave equation as well as a more complex equation which admits chaotic solutions. The continuous nature of the dynamics are leveraged to generate multiscale (dynamic-time snapshot) representations which we prove are linked to various graph topological and spectral properties. We demonstrate experimentally that DYMAG achieves superior performance in recovering the generating parameters of Erd\"os-Renyi and stochastic block model random graphs and the persistent homology of synthetic graphs and citation network. Since the behavior of proteins and biomolecules is sensitive to graph topology and exhibits important structure at multiple scales, we find that DYMAG outperforms other methods at predicting salient features of various biomolecules.
Authors: Hector Kohler, Riad Akrour, Philippe Preux
Abstract: Finding an optimal decision tree for a supervised learning task is a challenging combinatorial problem to solve at scale. It was recently proposed to frame the problem as a Markov Decision Problem (MDP) and use deep reinforcement learning to tackle scaling. Unfortunately, these methods are not competitive with the current branch-and-bound state-of-the-art. We propose instead to scale the resolution of such MDPs using an information-theoretic tests generating function that heuristically, and dynamically for every state, limits the set of admissible test actions to a few good candidates. As a solver, we show empirically that our algorithm is at the very least competitive with branch-and-bound alternatives. As a machine learning tool, a key advantage of our approach is to solve for multiple complexity-performance trade-offs at virtually no additional cost. With such a set of solutions, a user can then select the tree that generalizes best and which has the interpretability level that best suits their needs, which no current branch-and-bound method allows.
Authors: Avital Shafran, Ilia Shumailov, Murat A. Erdogdu, Nicolas Papernot
Abstract: Model extraction attacks are designed to steal trained models with only query access, as is often provided through APIs that ML-as-a-Service providers offer. Machine Learning (ML) models are expensive to train, in part because data is hard to obtain, and a primary incentive for model extraction is to acquire a model while incurring less cost than training from scratch. Literature on model extraction commonly claims or presumes that the attacker is able to save on both data acquisition and labeling costs. We thoroughly evaluate this assumption and find that the attacker often does not. This is because current attacks implicitly rely on the adversary being able to sample from the victim model's data distribution. We thoroughly research factors influencing the success of model extraction. We discover that prior knowledge of the attacker, i.e., access to in-distribution data, dominates other factors like the attack policy the adversary follows to choose which queries to make to the victim model API. Our findings urge the community to redefine the adversarial goals of ME attacks as current evaluation methods misinterpret the ME performance.
Authors: Koren Abitbul, Yehuda Dar
Abstract: Overparameterized autoencoder models often memorize their training data. For image data, memorization is often examined by using the trained autoencoder to recover missing regions in its training images (that were used only in their complete forms in the training). In this paper, we propose an inverse problem perspective for the study of memorization. Given a degraded training image, we define the recovery of the original training image as an inverse problem and formulate it as an optimization task. In our inverse problem, we use the trained autoencoder to implicitly define a regularizer for the particular training dataset that we aim to retrieve from. We develop the intricate optimization task into a practical method that iteratively applies the trained autoencoder and relatively simple computations that estimate and address the unknown degradation operator. We evaluate our method for blind inpainting where the goal is to recover training images from degradation of many missing pixels in an unknown pattern. We examine various deep autoencoder architectures, such as fully connected and U-Net (with various nonlinearities and at diverse train loss values), and show that our method significantly outperforms previous memorization-evaluation methods that recover training data from autoencoders. Importantly, our method greatly improves the recovery performance also in settings that were previously considered highly challenging, and even impractical, for such recovery and memorization evaluation.
Authors: Bowen Tan, Yun Zhu, Lijuan Liu, Hongyi Wang, Yonghao Zhuang, Jindong Chen, Eric Xing, Zhiting Hu
Abstract: The recent progress of AI can be largely attributed to large language models (LLMs). However, their escalating memory requirements introduce challenges for machine learning (ML) researchers and engineers. Addressing this requires developers to partition a large model to distribute it across multiple GPUs or TPUs. This necessitates considerable coding and intricate configuration efforts with existing model parallel tools, such as Megatron-LM, DeepSpeed, and Alpa. These tools require users' expertise in machine learning systems (MLSys), creating a bottleneck in LLM development, particularly for developers without MLSys background. In this work, we present RedCoast (Redco), a lightweight and user-friendly tool crafted to automate distributed training and inference for LLMs, as well as to simplify ML pipeline development. The design of Redco emphasizes two key aspects. Firstly, to automate model parallelism, our study identifies two straightforward rules to generate tensor parallel strategies for any given LLM. Integrating these rules into Redco facilitates effortless distributed LLM training and inference, eliminating the need of additional coding or complex configurations. We demonstrate the effectiveness by applying Redco on a set of LLM architectures, such as GPT-J, LLaMA, T5, and OPT, up to the size of 66B. Secondly, we propose a mechanism that allows for the customization of diverse ML pipelines through the definition of merely three functions, avoiding redundant and formulaic code like multi-host related processing. This mechanism proves adaptable across a spectrum of ML algorithms, from foundational language modeling to complex algorithms like meta-learning and reinforcement learning. As a result, Redco implementations exhibit significantly fewer lines of code compared to their official counterparts.
Authors: Jeremy McMahan, Xiaojin Zhu
Abstract: We introduce and study constrained Markov Decision Processes (cMDPs) with anytime constraints. An anytime constraint requires the agent to never violate its budget at any point in time, almost surely. Although Markovian policies are no longer sufficient, we show that there exist optimal deterministic policies augmented with cumulative costs. In fact, we present a fixed-parameter tractable reduction from anytime-constrained cMDPs to unconstrained MDPs. Our reduction yields planning and learning algorithms that are time and sample-efficient for tabular cMDPs so long as the precision of the costs is logarithmic in the size of the cMDP. However, we also show that computing non-trivial approximately optimal policies is NP-hard in general. To circumvent this bottleneck, we design provable approximation algorithms that efficiently compute or learn an arbitrarily accurate approximately feasible policy with optimal value so long as the maximum supported cost is bounded by a polynomial in the cMDP or the absolute budget. Given our hardness results, our approximation guarantees are the best possible under worst-case analysis.
Authors: Alberto Altozano, Maria Eleonora Minissi, Mariano Alca\~niz, Javier Mar\'in-Morales
Abstract: Autism Spectrum Disorder (ASD) is characterized by challenges in social communication and restricted patterns, with motor abnormalities gaining traction for early detection. However, kinematic analysis in ASD is limited, often lacking robust validation and relying on hand-crafted features for single tasks, leading to inconsistencies across studies. End-to-end models have emerged as promising methods to overcome the need for feature engineering. Our aim is to propose a newly adapted 3DCNN ResNet from and compare it to widely used hand-crafted features for motor ASD assessment. Specifically, we developed a virtual reality environment with multiple motor tasks and trained models using both approaches. We prioritized a reliable validation framework with repeated cross-validation. Results show the proposed model achieves a maximum accuracy of 85$\pm$3%, outperforming state-of-the-art end-to-end models with short 1-to-3 minute samples. Our comparative analysis with hand-crafted features shows feature-engineered models outperformed our end-to-end model in certain tasks. However, our end-to-end model achieved a higher mean AUC of 0.80$\pm$0.03. Additionally, statistical differences were found in model variance, with our end-to-end model providing more consistent results with less variability across all VR tasks, demonstrating domain generalization and reliability. These findings show that end-to-end models enable less variable and context-independent ASD classification without requiring domain knowledge or task specificity. However, they also recognize the effectiveness of hand-crafted features in specific task scenarios.
Authors: Riccardo Zaccone, Carlo Masone, Marco Ciccone
Abstract: Federated Learning (FL) has emerged as the state-of-the-art approach for learning from decentralized data in privacy-constrained scenarios. However, system and statistical challenges hinder real-world applications, which demand efficient learning from edge devices and robustness to heterogeneity. Despite significant research efforts, existing approaches (i) are not sufficiently robust, (ii) do not perform well in large-scale scenarios, and (iii) are not communication efficient. In this work, we propose a novel Generalized Heavy-Ball Momentum (GHBM), motivating its principled application to counteract the effects of statistical heterogeneity in FL. Then, we present FedHBM as an adaptive, communication-efficient by-design instance of GHBM. Extensive experimentation on vision and language tasks, in both controlled and realistic large-scale scenarios, provides compelling evidence of substantial and consistent performance gains over the state of the art.
Authors: Sahil Singla, Yifan Wang
Abstract: Sequential posted pricing auctions are popular because of their simplicity in practice and their tractability in theory. A usual assumption in their study is that the Bayesian prior distributions of the buyers are known to the seller, while in reality these priors can only be accessed from historical data. To overcome this assumption, we study sequential posted pricing in the bandit learning model, where the seller interacts with $n$ buyers over $T$ rounds: In each round the seller posts $n$ prices for the $n$ buyers and the first buyer with a valuation higher than the price takes the item. The only feedback that the seller receives in each round is the revenue. Our main results obtain nearly-optimal regret bounds for single-item sequential posted pricing in the bandit learning model. In particular, we achieve an $\tilde{O}(\mathsf{poly}(n)\sqrt{T})$ regret for buyers with (Myerson's) regular distributions and an $\tilde{O}(\mathsf{poly}(n)T^{{2}/{3}})$ regret for buyers with general distributions, both of which are tight in the number of rounds $T$. Our result for regular distributions was previously not known even for the single-buyer setting and relies on a new half-concavity property of the revenue function in the value space. For $n$ sequential buyers, our technique is to run a generalized single-buyer algorithm for all the buyers and to carefully bound the regret from the sub-optimal pricing of the suffix buyers.
Authors: Zilin Huang, Zihao Sheng, Chengyuan Ma, Sikai Chen
Abstract: Despite significant progress in autonomous vehicles (AVs), the development of driving policies that ensure both the safety of AVs and traffic flow efficiency has not yet been fully explored. In this paper, we propose an enhanced human-in-the-loop reinforcement learning method, termed the Human as AI mentor-based deep reinforcement learning (HAIM-DRL) framework, which facilitates safe and efficient autonomous driving in mixed traffic platoon. Drawing inspiration from the human learning process, we first introduce an innovative learning paradigm that effectively injects human intelligence into AI, termed Human as AI mentor (HAIM). In this paradigm, the human expert serves as a mentor to the AI agent. While allowing the agent to sufficiently explore uncertain environments, the human expert can take control in dangerous situations and demonstrate correct actions to avoid potential accidents. On the other hand, the agent could be guided to minimize traffic flow disturbance, thereby optimizing traffic flow efficiency. In detail, HAIM-DRL leverages data collected from free exploration and partial human demonstrations as its two training sources. Remarkably, we circumvent the intricate process of manually designing reward functions; instead, we directly derive proxy state-action values from partial human demonstrations to guide the agents' policy learning. Additionally, we employ a minimal intervention technique to reduce the human mentor's cognitive load. Comparative results show that HAIM-DRL outperforms traditional methods in driving safety, sampling efficiency, mitigation of traffic flow disturbance, and generalizability to unseen traffic scenarios. The code and demo videos for this paper can be accessed at: https://zilin-huang.github.io/HAIM-DRL-website/
Authors: Gokul Swamy, Christoph Dann, Rahul Kidambi, Zhiwei Steven Wu, Alekh Agarwal
Abstract: We present Self-Play Preference Optimization (SPO), an algorithm for reinforcement learning from human feedback. Our approach is minimalist in that it does not require training a reward model nor unstable adversarial training and is therefore rather simple to implement. Our approach is maximalist in that it provably handles non-Markovian, intransitive, and stochastic preferences while being robust to the compounding errors that plague offline approaches to sequential prediction. To achieve the preceding qualities, we build upon the concept of a Minimax Winner (MW), a notion of preference aggregation from the social choice theory literature that frames learning from preferences as a zero-sum game between two policies. By leveraging the symmetry of this game, we prove that rather than using the traditional technique of dueling two policies to compute the MW, we can simply have a single agent play against itself while maintaining strong convergence guarantees. Practically, this corresponds to sampling multiple trajectories from a policy, asking a preference or teacher model to compare them, and then using the proportion of wins as the reward for a particular trajectory. We demonstrate that on a suite of continuous control tasks, we are able to learn significantly more efficiently than reward-model based approaches while maintaining robustness to the intransitive and stochastic preferences that frequently occur in practice when aggregating human judgments.
Authors: Yongchang Hao, Yanshuai Cao, Lili Mou
Abstract: Despite large neural networks demonstrating remarkable abilities to complete different tasks, they require excessive memory usage to store the optimization states for training. To alleviate this, the low-rank adaptation (LoRA) is proposed to reduce the optimization states by training fewer parameters. However, LoRA restricts overall weight update matrices to be low-rank, limiting the model performance. In this work, we investigate the dynamics of LoRA and identify that it can be approximated by a random projection. Based on this observation, we propose Flora, which is able to achieve high-rank updates by resampling the projection matrices while enjoying the sublinear space complexity of optimization states. We conduct experiments across different tasks and model architectures to verify the effectiveness of our approach.
Authors: Olivier Jeunen, Aleksei Ustimenko
Abstract: Online controlled experiments are a crucial tool to allow for confident decision-making in technology companies. A North Star metric is defined (such as long-term revenue or user retention), and system variants that statistically significantly improve on this metric in an A/B-test can be considered superior. North Star metrics are typically delayed and insensitive. As a result, the cost of experimentation is high: experiments need to run for a long time, and even then, type-II errors (i.e. false negatives) are prevalent. We propose to tackle this by learning metrics from short-term signals that directly maximise the statistical power they harness with respect to the North Star. We show that existing approaches are prone to overfitting, in that higher average metric sensitivity does not imply improved type-II errors, and propose to instead minimise the $p$-values a metric would have produced on a log of past experiments. We collect such datasets from two social media applications with over 160 million Monthly Active Users each, totalling over 153 A/B-pairs. Empirical results show that we are able to increase statistical power by up to 78% when using our learnt metrics stand-alone, and by up to 210% when used in tandem with the North Star. Alternatively, we can obtain constant statistical power at a sample size that is down to 12% of what the North Star requires, significantly reducing the cost of experimentation.
Authors: Shuoyuan Wang, Jindong Wang, Guoqing Wang, Bob Zhang, Kaiyang Zhou, Hongxin Wei
Abstract: Vision-language models (VLMs) have emerged as formidable tools, showing their strong capability in handling various open-vocabulary tasks in image recognition, text-driven visual content generation, and visual chatbots, to name a few. In recent years, considerable efforts and resources have been devoted to adaptation methods for improving downstream performance of VLMs, particularly on parameter-efficient fine-tuning methods like prompt learning. However, a crucial aspect that has been largely overlooked is the confidence calibration problem in fine-tuned VLMs, which could greatly reduce reliability when deploying such models in the real world. This paper bridges the gap by systematically investigating the confidence calibration problem in the context of prompt learning and reveals that existing calibration methods are insufficient to address the problem, especially in the open-vocabulary setting. To solve the problem, we present a simple and effective approach called Distance-Aware Calibration (DAC), which is based on scaling the temperature using as guidance the distance between predicted text labels and base classes. The experiments with 7 distinct prompt learning methods applied across 11 diverse downstream datasets demonstrate the effectiveness of DAC, which achieves high efficacy without sacrificing the inference speed. Our code is available at [this https URL](https://github.com/ml-stat-Sustech/CLIP_Calibration).
Authors: Yige Hong, Qiaomin Xie, Yudong Chen, Weina Wang
Abstract: We consider the infinite-horizon, average-reward restless bandit problem in discrete time. We propose a new class of policies that are designed to drive a progressively larger subset of arms toward the optimal distribution. We show that our policies are asymptotically optimal with an $O(1/\sqrt{N})$ optimality gap for an $N$-armed problem, provided that the single-armed MDP is unichain and aperiodic under the optimal single-armed policy. Our approach departs from most existing work that focuses on index or priority policies, which rely on the Uniform Global Attractor Property (UGAP) to guarantee convergence to the optimum, or a recently developed simulation-based policy, which requires a Synchronization Assumption (SA).
Authors: Ingvar Ziemann, Stephen Tu, George J. Pappas, Nikolai Matni
Abstract: In this work, we study statistical learning with dependent ($\beta$-mixing) data and square loss in a hypothesis class $\mathscr{F}\subset L_{\Psi_p}$ where $\Psi_p$ is the norm $\|f\|_{\Psi_p} \triangleq \sup_{m\geq 1} m^{-1/p} \|f\|_{L^m} $ for some $p\in [2,\infty]$. Our inquiry is motivated by the search for a sharp noise interaction term, or variance proxy, in learning with dependent data. Absent any realizability assumption, typical non-asymptotic results exhibit variance proxies that are deflated multiplicatively by the mixing time of the underlying covariates process. We show that whenever the topologies of $L^2$ and $\Psi_p$ are comparable on our hypothesis class $\mathscr{F}$ -- that is, $\mathscr{F}$ is a weakly sub-Gaussian class: $\|f\|_{\Psi_p} \lesssim \|f\|_{L^2}^\eta$ for some $\eta\in (0,1]$ -- the empirical risk minimizer achieves a rate that only depends on the complexity of the class and second order statistics in its leading term. Our result holds whether the problem is realizable or not and we refer to this as a \emph{near mixing-free rate}, since direct dependence on mixing is relegated to an additive higher order term. We arrive at our result by combining the above notion of a weakly sub-Gaussian class with mixed tail generic chaining. This combination allows us to compute sharp, instance-optimal rates for a wide range of problems. Examples that satisfy our framework include sub-Gaussian linear regression, more general smoothly parameterized function classes, finite hypothesis classes, and bounded smoothness classes.
Authors: Maohao Shen, J. Jon Ryu, Soumya Ghosh, Yuheng Bu, Prasanna Sattigeri, Subhro Das, Gregory W. Wornell
Abstract: This paper questions the effectiveness of a modern predictive uncertainty quantification approach, called \emph{evidential deep learning} (EDL), in which a single neural network model is trained to learn a meta distribution over the predictive distribution by minimizing a specific objective function. Despite their perceived strong empirical performance on downstream tasks, a line of recent studies by Bengs et al. identify limitations of the existing methods to conclude their learned epistemic uncertainties are unreliable, e.g., in that they are non-vanishing even with infinite data. Building on and sharpening such analysis, we 1) provide a sharper understanding of the asymptotic behavior of a wide class of EDL methods by unifying various objective functions; 2) reveal that the EDL methods can be better interpreted as an out-of-distribution detection algorithm based on energy-based-models; and 3) conduct extensive ablation studies to better assess their empirical effectiveness with real-world datasets. Through all these analyses, we conclude that even when EDL methods are empirically effective on downstream tasks, this occurs despite their poor uncertainty quantification capabilities. Our investigation suggests that incorporating model uncertainty can help EDL methods faithfully quantify uncertainties and further improve performance on representative downstream tasks, albeit at the cost of additional computational complexity.
Authors: Teresa Salazar, Jo\~ao Gama, Helder Ara\'ujo, Pedro Henriques Abreu
Abstract: In the evolving field of machine learning, ensuring fairness has become a critical concern, prompting the development of algorithms designed to mitigate discriminatory outcomes in decision-making processes. However, achieving fairness in the presence of group-specific concept drift remains an unexplored frontier, and our research represents pioneering efforts in this regard. Group-specific concept drift refers to situations where one group experiences concept drift over time while another does not, leading to a decrease in fairness even if accuracy remains fairly stable. Within the framework of federated learning, where clients collaboratively train models, its distributed nature further amplifies these challenges since each client can experience group-specific concept drift independently while still sharing the same underlying concept, creating a complex and dynamic environment for maintaining fairness. One of the significant contributions of our research is the formalization and introduction of the problem of group-specific concept drift and its distributed counterpart, shedding light on its critical importance in the realm of fairness. In addition, leveraging insights from prior research, we adapt an existing distributed concept drift adaptation algorithm to tackle group-specific distributed concept drift which utilizes a multi-model approach, a local group-specific drift detection mechanism, and continuous clustering of models over time. The findings from our experiments highlight the importance of addressing group-specific concept drift and its distributed counterpart to advance fairness in machine learning.
Authors: Rylan Schaeffer, Nika Zahedi, Mikail Khona, Dhruv Pai, Sang Truong, Yilun Du, Mitchell Ostrow, Sarthak Chandra, Andres Carranza, Ila Rani Fiete, Andrey Gromov, Sanmi Koyejo
Abstract: Associative memory and probabilistic modeling are two fundamental topics in artificial intelligence. The first studies recurrent neural networks designed to denoise, complete and retrieve data, whereas the second studies learning and sampling from probability distributions. Based on the observation that associative memory's energy functions can be seen as probabilistic modeling's negative log likelihoods, we build a bridge between the two that enables useful flow of ideas in both directions. We showcase four examples: First, we propose new energy-based models that flexibly adapt their energy functions to new in-context datasets, an approach we term \textit{in-context learning of energy functions}. Second, we propose two new associative memory models: one that dynamically creates new memories as necessitated by the training data using Bayesian nonparametrics, and another that explicitly computes proportional memory assignments using the evidence lower bound. Third, using tools from associative memory, we analytically and numerically characterize the memory capacity of Gaussian kernel density estimators, a widespread tool in probababilistic modeling. Fourth, we study a widespread implementation choice in transformers -- normalization followed by self attention -- to show it performs clustering on the hypersphere. Altogether, this work urges further exchange of useful ideas between these two continents of artificial intelligence.
Authors: Wuyang Chen, Jialin Song, Pu Ren, Shashank Subramanian, Dmitriy Morozov, Michael W. Mahoney
Abstract: Recent years have witnessed the promise of coupling machine learning methods and physical domainspecific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions, and pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging in-context learning methods, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models.
Authors: Swapnaja Achintalwar, Adriana Alvarado Garcia, Ateret Anaby-Tavor, Ioana Baldini, Sara E. Berger, Bishwaranjan Bhattacharjee, Djallel Bouneffouf, Subhajit Chaudhury, Pin-Yu Chen, Lamogha Chiazor, Elizabeth M. Daly, Kirushikesh DB, Rog\'erio Abreu de Paula, Pierre Dognin, Eitan Farchi, Soumya Ghosh, Michael Hind, Raya Horesh, George Kour, Ja Young Lee, Nishtha Madaan, Sameep Mehta, Erik Miehling, Keerthiram Murugesan, Manish Nagireddy, Inkit Padhi, David Piorkowski, Ambrish Rawat, Orna Raz, Prasanna Sattigeri, Hendrik Strobelt, Sarathkrishna Swaminathan, Christoph Tillmann, Aashka Trivedi, Kush R. Varshney, Dennis Wei, Shalisha Witherspooon, Marcel Zalmanovici
Abstract: Large language models (LLMs) are susceptible to a variety of risks, from non-faithful output to biased and toxic generations. Due to several limiting factors surrounding LLMs (training cost, API access, data availability, etc.), it may not always be feasible to impose direct safety constraints on a deployed model. Therefore, an efficient and reliable alternative is required. To this end, we present our ongoing efforts to create and deploy a library of detectors: compact and easy-to-build classification models that provide labels for various harms. In addition to the detectors themselves, we discuss a wide range of uses for these detector models - from acting as guardrails to enabling effective AI governance. We also deep dive into inherent challenges in their development and discuss future work aimed at making the detectors more reliable and broadening their scope.
Authors: Dennis Wu, Jerry Yao-Chieh Hu, Teng-Yun Hsiao, Han Liu
Abstract: We propose a two-stage memory retrieval dynamics for modern Hopfield models, termed $\mathtt{U\text{-}Hop}$, with enhanced memory capacity. Our key contribution is a learnable feature map $\Phi$ which transforms the Hopfield energy function into kernel space. This transformation ensures convergence between the local minima of energy and the fixed points of retrieval dynamics within the kernel space. Consequently, the kernel norm induced by $\Phi$ serves as a novel similarity measure. It utilizes the stored memory patterns as learning data to enhance memory capacity across all modern Hopfield models. Specifically, we accomplish this by constructing a separation loss $\mathcal{L}_\Phi$ that separates the local minima of kernelized energy by separating stored memory patterns in kernel space. Methodologically, $\mathtt{U\text{-}Hop}$ memory retrieval process consists of: (Stage I) minimizing separation loss for a more uniform memory (local minimum) distribution, followed by (Stage II) standard Hopfield energy minimization for memory retrieval. This results in a significant reduction of possible metastable states in the Hopfield energy function, thus enhancing memory capacity by preventing memory confusion. Empirically, with real-world datasets, we demonstrate that $\mathtt{U\text{-}Hop}$ outperforms all existing modern Hopfield models and state-of-the-art similarity measures, achieving substantial improvements in both associative memory retrieval and deep learning tasks. Code is available at https://github.com/MAGICS-LAB/UHop ; future updates are on arXiv:2404.03827
Authors: Zi-Hao Qiu, Siqi Guo, Mao Xu, Tuo Zhao, Lijun Zhang, Tianbao Yang
Abstract: The temperature parameter plays a profound role during training and/or inference with large foundation models (LFMs) such as large language models (LLMs) and CLIP models. Particularly, it adjusts the logits in the softmax function in LLMs, which is crucial for next token generation, and it scales the similarities in the contrastive loss for training CLIP models. A significant question remains: Is it viable to learn a neural network to predict a personalized temperature of any input data for enhancing LFMs"? In this paper, we present a principled framework for learning a small yet generalizable temperature prediction network (TempNet) to improve LFMs. Our solution is composed of a novel learning framework with a robust loss underpinned by constrained distributionally robust optimization (DRO), and a properly designed TempNet with theoretical inspiration. TempNet can be trained together with a large foundation model from scratch or learned separately given a pretrained foundation model. It is not only useful for predicting personalized temperature to promote the training of LFMs but also generalizable and transferable to new tasks. Our experiments on LLMs and CLIP models demonstrate that TempNet greatly improves the performance of existing solutions or models, e.g. Table 1. The code to reproduce the experimental results in this paper can be found at https://github.com/zhqiu/TempNet.
Authors: Nima Hosseini Dashtbayaz, Ghazal Farhani, Boyu Wang, Charles X. Ling
Abstract: The residual loss in Physics-Informed Neural Networks (PINNs) alters the simple recursive relation of layers in a feed-forward neural network by applying a differential operator, resulting in a loss landscape that is inherently different from those of common supervised problems. Therefore, relying on the existing theory leads to unjustified design choices and suboptimal performance. In this work, we analyze the residual loss by studying its characteristics at critical points to find the conditions that result in effective training of PINNs. Specifically, we first show that under certain conditions, the residual loss of PINNs can be globally minimized by a wide neural network. Furthermore, our analysis also reveals that an activation function with well-behaved high-order derivatives plays a crucial role in minimizing the residual loss. In particular, to solve a $k$-th order PDE, the $k$-th derivative of the activation function should be bijective. The established theory paves the way for designing and choosing effective activation functions for PINNs and explains why periodic activations have shown promising performance in certain cases. Finally, we verify our findings by conducting a set of experiments on several PDEs. Our code is publicly available at https://github.com/nimahsn/pinns_tf2.
Authors: Rubens O. Moraes, Levi H. S. Lelis
Abstract: Syntax-guided synthesis is commonly used to generate programs encoding policies. In this approach, the set of programs, that can be written in a domain-specific language defines the search space, and an algorithm searches within this space for programs that encode strong policies. In this paper, we propose an alternative method for synthesizing programmatic policies, where we search within an approximation of the language's semantic space. We hypothesized that searching in semantic spaces is more sample-efficient compared to syntax-based spaces. Our rationale is that the search is more efficient if the algorithm evaluates different agent behaviors as it searches through the space, a feature often missing in syntax-based spaces. This is because small changes in the syntax of a program often do not result in different agent behaviors. We define semantic spaces by learning a library of programs that present different agent behaviors. Then, we approximate the semantic space by defining a neighborhood function for local search algorithms, where we replace parts of the current candidate program with programs from the library. We evaluated our hypothesis in a real-time strategy game called MicroRTS. Empirical results support our hypothesis that searching in semantic spaces can be more sample-efficient than searching in syntax-based spaces.
Authors: Aakash Tripathi, Asim Waqas, Yasin Yilmaz, Ghulam Rasool
Abstract: Developing accurate machine learning models for oncology requires large-scale, high-quality multimodal datasets. However, creating such datasets remains challenging due to the complexity and heterogeneity of medical data. To address this challenge, we introduce HoneyBee, a scalable modular framework for building multimodal oncology datasets that leverages foundation models to generate representative embeddings. HoneyBee integrates various data modalities, including clinical diagnostic and pathology imaging data, medical notes, reports, records, and molecular data. It employs data preprocessing techniques and foundation models to generate embeddings that capture the essential features and relationships within the raw medical data. The generated embeddings are stored in a structured format using Hugging Face datasets and PyTorch dataloaders for accessibility. Vector databases enable efficient querying and retrieval for machine learning applications. We demonstrate the effectiveness of HoneyBee through experiments assessing the quality and representativeness of these embeddings. The framework is designed to be extensible to other medical domains and aims to accelerate oncology research by providing high-quality, machine learning-ready datasets. HoneyBee is an ongoing open-source effort, and the code, datasets, and models are available at the project repository.
Authors: Zhepeng Cen, Yihang Yao, Zuxin Liu, Ding Zhao
Abstract: In the field of safe reinforcement learning (RL), finding a balance between satisfying safety constraints and optimizing reward performance presents a significant challenge. A key obstacle in this endeavor is the estimation of safety constraints, which is typically more difficult than estimating a reward metric due to the sparse nature of the constraint signals. To address this issue, we introduce a novel framework named Feasibility Consistent Safe Reinforcement Learning (FCSRL). This framework combines representation learning with feasibility-oriented objectives to identify and extract safety-related information from the raw state for safe RL. Leveraging self-supervised learning techniques and a more learnable safety metric, our approach enhances the policy learning and constraint estimation. Empirical evaluations across a range of vector-state and image-based tasks demonstrate that our method is capable of learning a better safety-aware embedding and achieving superior performance than previous representation learning baselines.
Authors: Qi Zhang, Peiyao Xiao, Kaiyi Ji, Shaofeng Zou
Abstract: Multi-objective optimization (MOO) is receiving more attention in various fields such as multi-task learning. Recent works provide some effective algorithms with theoretical analysis but they are limited by the standard $L$-smooth or bounded-gradient assumptions, which are typically unsatisfactory for neural networks, such as recurrent neural networks (RNNs) and transformers. In this paper, we study a more general and realistic class of $\ell$-smooth loss functions, where $\ell$ is a general non-decreasing function of gradient norm. We develop two novel single-loop algorithms for $\ell$-smooth MOO problems, Generalized Smooth Multi-objective Gradient descent (GSMGrad) and its stochastic variant, Stochastic Generalized Smooth Multi-objective Gradient descent (SGSMGrad), which approximate the conflict-avoidant (CA) direction that maximizes the minimum improvement among objectives. We provide a comprehensive convergence analysis of both algorithms and show that they converge to an $\epsilon$-accurate Pareto stationary point with a guaranteed $\epsilon$-level average CA distance (i.e., the gap between the updating direction and the CA direction) over all iterations, where totally $\mathcal{O}(\epsilon^{-2})$ and $\mathcal{O}(\epsilon^{-4})$ samples are needed for deterministic and stochastic settings, respectively. Our algorithms can also guarantee a tighter $\epsilon$-level CA distance in each iteration using more samples. Moreover, we propose a practical variant of GSMGrad named GSMGrad-FA using only constant-level time and space, while achieving the same performance guarantee as GSMGrad. Our experiments validate our theory and demonstrate the effectiveness of the proposed methods.
Authors: Savelii Chezhegov, Sergey Skorik, Nikolas Khachaturov, Danil Shalagin, Aram Avetisyan, Aleksandr Beznosikov, Martin Tak\'a\v{c}, Yaroslav Kholodov, Alexander Gasnikov
Abstract: The rapid development of machine learning and deep learning has introduced increasingly complex optimization challenges that must be addressed. Indeed, training modern, advanced models has become difficult to implement without leveraging multiple computing nodes in a distributed environment. Distributed optimization is also fundamental to emerging fields such as federated learning. Specifically, there is a need to organize the training process to minimize the time lost due to communication. A widely used and extensively researched technique to mitigate the communication bottleneck involves performing local training before communication. This approach is the focus of our paper. Concurrently, adaptive methods that incorporate scaling, notably led by Adam, have gained significant popularity in recent years. Therefore, this paper aims to merge the local training technique with the adaptive approach to develop efficient distributed learning methods. We consider the classical Local SGD method and enhance it with a scaling feature. A crucial aspect is that the scaling is described generically, allowing us to analyze various approaches, including Adam, RMSProp, and OASIS, in a unified manner. In addition to theoretical analysis, we validate the performance of our methods in practice by training a neural network.
Authors: Chenxi Liu, Qianxiong Xu, Hao Miao, Sun Yang, Lingzheng Zhang, Cheng Long, Ziyue Li, Rui Zhao
Abstract: The widespread adoption of scalable mobile sensing has led to large amounts of time series data for real-world applications. A fundamental application is multivariate time series forecasting (MTSF), which aims to predict future time series values based on historical observations. Existing MTSF methods suffer from limited parameterization and small-scale training data. Recently, Large language models (LLMs) have been introduced in time series, which achieve promising forecasting performance but incur heavy computational costs. To solve these challenges, we propose TimeCMA, an LLM-empowered framework for time series forecasting with cross-modality alignment. We design a dual-modality encoding module with two branches, where the time series encoding branch extracts relatively low-quality yet pure embeddings of time series through an inverted Transformer. In addition, the LLM-empowered encoding branch wraps the same time series as prompts to obtain high-quality yet entangled prompt embeddings via a Pre-trained LLM. Then, we design a cross-modality alignment module to retrieve high-quality and pure time series embeddings from the prompt embeddings. Moreover, we develop a time series forecasting module to decode the aligned embeddings while capturing dependencies among multiple variables for forecasting. Notably, we tailor the prompt to encode sufficient temporal information into a last token and design the last token embedding storage to reduce computational costs. Extensive experiments on real data offer insight into the accuracy and efficiency of the proposed framework.
Authors: Mohamed Ragab, Peiliang Gong, Emadeldeen Eldele, Wenyu Zhang, Min Wu, Chuan-Sheng Foo, Daoqiang Zhang, Xiaoli Li, Zhenghua Chen
Abstract: Source-free domain adaptation (SFDA) aims to adapt a model pre-trained on a labeled source domain to an unlabeled target domain without access to source data, preserving the source domain's privacy. While SFDA is prevalent in computer vision, it remains largely unexplored in time series analysis. Existing SFDA methods, designed for visual data, struggle to capture the inherent temporal dynamics of time series, hindering adaptation performance. This paper proposes MAsk And imPUte (MAPU), a novel and effective approach for time series SFDA. MAPU addresses the critical challenge of temporal consistency by introducing a novel temporal imputation task. This task involves randomly masking time series signals and leveraging a dedicated temporal imputer to recover the original signal within the learned embedding space, bypassing the complexities of noisy raw data. Notably, MAPU is the first method to explicitly address temporal consistency in the context of time series SFDA. Additionally, it offers seamless integration with existing SFDA methods, providing greater flexibility. We further introduce E-MAPU, which incorporates evidential uncertainty estimation to address the overconfidence issue inherent in softmax predictions. To achieve that, we leverage evidential deep learning to obtain a better-calibrated pre-trained model and adapt the target encoder to map out-of-support target samples to a new feature representation closer to the source domain's support. This fosters better alignment, ultimately enhancing adaptation performance. Extensive experiments on five real-world time series datasets demonstrate that both MAPU and E-MAPU achieve significant performance gains compared to existing methods. These results highlight the effectiveness of our proposed approaches for tackling various time series domain adaptation problems.
Authors: Jason Shuo Zhang, Benjamin Howson, Panayiota Savva, Eleanor Loh
Abstract: Personalised discount codes provide a powerful mechanism for managing customer relationships and operational spend in e-commerce. Bandits are well suited for this product area, given the partial information nature of the problem, as well as the need for adaptation to the changing business environment. Here, we introduce DISCO, an end-to-end contextual bandit framework for personalised discount code allocation at ASOS. DISCO adapts the traditional Thompson Sampling algorithm by integrating it within an integer program, thereby allowing for operational cost control. Because bandit learning is often worse with high dimensional actions, we focused on building low dimensional action and context representations that were nonetheless capable of good accuracy. Additionally, we sought to build a model that preserved the relationship between price and sales, in which customers increasing their purchasing in response to lower prices ("negative price elasticity"). These aims were achieved by using radial basis functions to represent the continuous (i.e. infinite armed) action space, in combination with context embeddings extracted from a neural network. These feature representations were used within a Thompson Sampling framework to facilitate exploration, and further integrated with an integer program to allocate discount codes across ASOS's customer base. These modelling decisions result in a reward model that (a) enables pooled learning across similar actions, (b) is highly accurate, including in extrapolation, and (c) preserves the expected negative price elasticity. Through offline analysis, we show that DISCO is able to effectively enact exploration and improves its performance over time, despite the global constraint. Finally, we subjected DISCO to a rigorous online A/B test, and find that it achieves a significant improvement of >1% in average basket value, relative to the legacy systems.
Authors: Zhiyu Shao, Qiong Wu, Pingyi Fan, Nan Cheng, Wen Chen, Jiangzhou Wang, Khaled B. Letaief
Abstract: This work aims to investigate semantic communication in high-speed mobile Internet of vehicles (IoV) environments, with a focus on the spectrum sharing between vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communications. We specifically address spectrum scarcity and network traffic and then propose a semantic-aware spectrum sharing algorithm (SSS) based on the deep reinforcement learning (DRL) soft actor-critic (SAC) approach. Firstly, we delve into the extraction of semantic information. Secondly, we redefine metrics for semantic information in V2V and V2I spectrum sharing in IoV environments, introducing high-speed semantic spectrum efficiency (HSSE) and semantic transmission rate (HSR). Finally, we employ the SAC algorithm for decision optimization in V2V and V2I spectrum sharing based on semantic information. This optimization encompasses the optimal link of V2V and V2I sharing strategies, the transmission power for vehicles sending semantic information and the length of transmitted semantic symbols, aiming at maximizing HSSE of V2I and enhancing success rate of effective semantic information transmission (SRS) of V2V. Experimental results demonstrate that the SSS algorithm outperforms other baseline algorithms, including other traditional-communication-based spectrum sharing algorithms and spectrum sharing algorithm using other reinforcement learning approaches. The SSS algorithm exhibits a 15% increase in HSSE and approximately a 7% increase in SRS.
Authors: Porter Jenkins, Michael Selander, J. Stockton Jenkins, Andrew Merrill, Kyle Armstrong
Abstract: Product assortment selection is a critical challenge facing physical retailers. Effectively aligning inventory with the preferences of shoppers can increase sales and decrease out-of-stocks. However, in real-world settings the problem is challenging due to the combinatorial explosion of product assortment possibilities. Consumer preferences are typically heterogeneous across space and time, making inventory-preference alignment challenging. Additionally, existing strategies rely on syndicated data, which tends to be aggregated, low resolution, and suffer from high latency. To solve these challenges, we introduce a real-time recommendation system, which we call EdgeRec3D. Our system utilizes recent advances in 3D computer vision for perception and automatic, fine grained sales estimation. These perceptual components run on the edge of the network and facilitate real-time reward signals. Additionally, we develop a Bayesian payoff model to account for noisy estimates from 3D LIDAR data. We rely on spatial clustering to allow the system to adapt to heterogeneous consumer preferences, and a graph-based candidate generation algorithm to address the combinatorial search problem. We test our system in real-world stores across two, 6-8 week A/B tests with beverage products and demonstrate a 35% and 27% increase in sales respectively. Finally, we monitor the deployed system for a period of 28 weeks with an observational study and show a 9.4% increase in sales.
Authors: Han Wang, Wenhao Li, Hongyuan Zha, Baoxiang Wang
Abstract: A carbon market is a market-based tool that incentivizes economic agents to align individual profits with the global utility, i.e., reducing carbon emissions to tackle climate change. Cap and trade stands as a critical principle based on allocating and trading carbon allowances (carbon emission credit), enabling economic agents to follow planned emissions and penalizing excess emissions. A central authority is responsible for introducing and allocating those allowances in cap and trade. However, the complexity of carbon market dynamics makes accurate simulation intractable, which in turn hinders the design of effective allocation strategies. To address this, we propose an adaptive mechanism design framework, simulating the market using hierarchical, model-free multi-agent reinforcement learning (MARL). Government agents allocate carbon credits, while enterprises engage in economic activities and carbon trading. This framework illustrates agents' behavior comprehensively. Numerical results show MARL enables government agents to balance productivity, equality, and carbon emissions. Our project is available at https://github.com/xwanghan/Carbon-Simulator.
Authors: Zicheng Liu, Siyuan Li, Li Wang, Zedong Wang, Yunfan Liu, Stan Z. Li
Abstract: To mitigate the computational complexity in the self-attention mechanism on long sequences, linear attention utilizes computation tricks to achieve linear complexity, while state space models (SSMs) popularize a favorable practice of using non-data-dependent memory pattern, i.e., emphasize the near and neglect the distant, to processing sequences. Recent studies have shown the priorities by combining them as one. However, the efficiency of linear attention remains only at the theoretical level in a causal setting, and SSMs require various designed constraints to operate effectively on specific data. Therefore, in order to unveil the true power of the hybrid design, the following two issues need to be addressed: (1) hardware-efficient implementation for linear attention and (2) stabilization of SSMs. To achieve this, we leverage the thought of tiling and hierarchy to propose CHELA (short-long Convolutions with Hardware-Efficient Linear Attention), which replaces SSMs with short-long convolutions and implements linear attention in a divide-and-conquer manner. This approach enjoys global abstraction and data-dependent selection from stable SSM and linear attention while maintaining real linear complexity. Our comprehensive experiments on the Long Range Arena benchmark and language modeling tasks demonstrate the effectiveness of the proposed method.
Authors: Carlos Martin, Tuomas Sandholm
Abstract: There has been substantial progress on finding game-theoretic equilibria. Most of that work has focused on games with finite, discrete action spaces. However, many games involving space, time, money, and other fine-grained quantities have continuous action spaces (or are best modeled as having such). We study the problem of finding an approximate Nash equilibrium of games with continuous action sets. The standard measure of closeness to Nash equilibrium is exploitability, which measures how much players can benefit from unilaterally changing their strategy. We propose two new methods that minimize an approximation of exploitability with respect to the strategy profile. The first method uses a learned best-response function, which takes the current strategy profile as input and outputs candidate best responses for each player. The strategy profile and best-response functions are trained simultaneously, with the former trying to minimize exploitability while the latter tries to maximize it. The second method maintains an ensemble of candidate best responses for each player. In each iteration, the best-performing elements of each ensemble are used to update the current strategy profile. The strategy profile and ensembles are simultaneously trained to minimize and maximize the approximate exploitability, respectively. We evaluate our methods on various continuous games and GAN training, showing that they outperform prior methods.
Authors: Han Zhong, Jiachen Hu, Yecheng Xue, Tongyang Li, Liwei Wang
Abstract: While quantum reinforcement learning (RL) has attracted a surge of attention recently, its theoretical understanding is limited. In particular, it remains elusive how to design provably efficient quantum RL algorithms that can address the exploration-exploitation trade-off. To this end, we propose a novel UCRL-style algorithm that takes advantage of quantum computing for tabular Markov decision processes (MDPs) with $S$ states, $A$ actions, and horizon $H$, and establish an $\mathcal{O}(\mathrm{poly}(S, A, H, \log T))$ worst-case regret for it, where $T$ is the number of episodes. Furthermore, we extend our results to quantum RL with linear function approximation, which is capable of handling problems with large state spaces. Specifically, we develop a quantum algorithm based on value target regression (VTR) for linear mixture MDPs with $d$-dimensional linear representation and prove that it enjoys $\mathcal{O}(\mathrm{poly}(d, H, \log T))$ regret. Our algorithms are variants of UCRL/UCRL-VTR algorithms in classical RL, which also leverage a novel combination of lazy updating mechanisms and quantum estimation subroutines. This is the key to breaking the $\Omega(\sqrt{T})$-regret barrier in classical RL. To the best of our knowledge, this is the first work studying the online exploration in quantum RL with provable logarithmic worst-case regret.
Authors: Jong-Ik Park, Sihoon Seong, JunKyu Lee, Cheol-Ho Hong
Abstract: Tabular data from IIoT devices are typically analyzed using decision tree-based machine learning techniques, which struggle with high-dimensional and numeric data. To overcome these limitations, techniques converting tabular data into images have been developed, leveraging the strengths of image-based deep learning approaches such as Convolutional Neural Networks. These methods cluster similar features into distinct image areas with fixed sizes, regardless of the number of features, resembling actual photographs. However, this increases the possibility of overfitting, as similar features, when selected carefully in a tabular format, are often discarded to prevent this issue. Additionally, fixed image sizes can lead to wasted pixels with fewer features, resulting in computational inefficiency. We introduce Vortex Feature Positioning (VFP) to address these issues. VFP arranges features based on their correlation, spacing similar ones in a vortex pattern from the image center, with the image size determined by the attribute count. VFP outperforms traditional machine learning methods and existing conversion techniques in tests across seven datasets with varying real-valued attributes.
Authors: Sungyoon Lee, Sokbae Lee
Abstract: In recent years, there has been a significant growth in research focusing on minimum $\ell_2$ norm (ridgeless) interpolation least squares estimators. However, the majority of these analyses have been limited to an unrealistic regression error structure, assuming independent and identically distributed errors with zero mean and common variance. In this paper, we explore prediction risk as well as estimation risk under more general regression error assumptions, highlighting the benefits of overparameterization in a more realistic setting that allows for clustered or serial dependence. Notably, we establish that the estimation difficulties associated with the variance components of both risks can be summarized through the trace of the variance-covariance matrix of the regression errors. Our findings suggest that the benefits of overparameterization can extend to time series, panel and grouped data.
Authors: Xiaohao Yang, He Zhao, Dinh Phung, Lan Du
Abstract: Topic models have evolved from conventional Bayesian probabilistic models to recent Neural Topic Models (NTMs). Although NTMs have shown promising performance when trained and tested on a specific corpus, their generalisation ability across corpora has yet to be studied. In practice, we often expect that an NTM trained on a source corpus can still produce quality topical representation (i.e., latent distribution over topics) for the document from different target corpora to a certain degree. In this work, we aim to improve NTMs further so that their representation power for documents generalises reliably across corpora and tasks. To do so, we propose to enhance NTMs by narrowing the semantic distance between similar documents, with the underlying assumption that documents from different corpora may share similar semantics. Specifically, we obtain a similar document for each training document by text data augmentation. Then, we optimise NTMs further by minimising the semantic distance between each pair, measured by the Topical Optimal Transport (TopicalOT) distance, which computes the optimal transport distance between their topical representations. Our framework can be readily applied to most NTMs as a plug-and-play module. Extensive experiments show that our framework significantly improves the generalisation ability regarding neural topical representation across corpora. Our code and datasets are available at: https://github.com/Xiaohao-Yang/Topic_Model_Generalisation.
URLs: https://github.com/Xiaohao-Yang/Topic_Model_Generalisation.
Authors: Jicheol Kim, Dongkyu Kim, Dong-Hee Kim
Abstract: We investigate quantum phase transitions in the transverse field Ising chain with algebraically decaying long-range (LR) antiferromagnetic interactions using the variational Monte Carlo method with the restricted Boltzmann machine employed as a trial wave function ansatz. First, we measure the critical exponents and the central charge through the finite-size scaling analysis, verifying the contrasting observations in the previous tensor network studies. The correlation function exponent and the central charge deviate from the short-range (SR) Ising values at a small decay exponent $\alpha_\mathrm{LR}$, while the other critical exponents examined are very close to the SR Ising exponents regardless of $\alpha_\mathrm{LR}$ examined. However, in the further test of the critical Binder ratio, we find that the universal ratio of the SR limit does not hold for $\alpha_\mathrm{LR} < 2$, implying a deviation in the criticality. On the other hand, we find evidence of the conformal invariance breakdown in the conformal field theory (CFT) test of the correlation function. The deviation from the CFT description becomes more pronounced as $\alpha_\mathrm{LR}$ decreases, although a precise breakdown threshold is yet to be determined.
Authors: Anith Selvakumar, Homa Fashandi
Abstract: Distance Metric Learning (DML) has typically dominated the audio-visual speaker verification problem space, owing to strong performance in new and unseen classes. In our work, we explored multitask learning techniques to further enhance DML, and show that an auxiliary task with even weak labels can increase the quality of the learned speaker representation without increasing model complexity during inference. We also extend the Generalized End-to-End Loss (GE2E) to multimodal inputs and demonstrate that it can achieve competitive performance in an audio-visual space. Finally, we introduce AV-Mixup, a multimodal augmentation technique during training time that has shown to reduce speaker overfit. Our network achieves state of the art performance for speaker verification, reporting 0.244%, 0.252%, 0.441% Equal Error Rate (EER) on the VoxCeleb1-O/E/H test sets, which is to our knowledge, the best published results on VoxCeleb1-E and VoxCeleb1-H.
Authors: Yash Semlani, Mihir Relan, Krithik Ramesh
Abstract: Jet tagging is a classification problem in high-energy physics experiments that aims to identify the collimated sprays of subatomic particles, jets, from particle collisions and tag them to their emitter particle. Advances in jet tagging present opportunities for searches of new physics beyond the Standard Model. Current approaches use deep learning to uncover hidden patterns in complex collision data. However, the representation of jets as inputs to a deep learning model have been varied, and often, informative features are withheld from models. In this study, we propose a graph-based representation of a jet that encodes the most information possible. To learn best from this representation, we design Particle Chebyshev Network (PCN), a graph neural network (GNN) using Chebyshev graph convolutions (ChebConv). ChebConv has been demonstrated as an effective alternative to classical graph convolutions in GNNs and has yet to be explored in jet tagging. PCN achieves a substantial improvement in accuracy over existing taggers and opens the door to future studies into graph-based representations of jets and ChebConv layers in high-energy physics experiments. Code is available at https://github.com/YVSemlani/PCN-Jet-Tagging.
Authors: Ryandhimas E. Zezario, Fei Chen, Chiou-Shann Fuh, Hsin-Min Wang, Yu Tsao
Abstract: Automated speech intelligibility assessment is pivotal for hearing aid (HA) development. In this paper, we present three novel methods to improve intelligibility prediction accuracy and introduce MBI-Net+, an enhanced version of MBI-Net, the top-performing system in the 1st Clarity Prediction Challenge. MBI-Net+ leverages Whisper's embeddings to create cross-domain acoustic features and includes metadata from speech signals by using a classifier that distinguishes different enhancement methods. Furthermore, MBI-Net+ integrates the hearing-aid speech perception index (HASPI) as a supplementary metric into the objective function to further boost prediction performance. Experimental results demonstrate that MBI-Net+ surpasses several intrusive baseline systems and MBI-Net on the Clarity Prediction Challenge 2023 dataset, validating the effectiveness of incorporating Whisper embeddings, speech metadata, and related complementary metrics to improve prediction performance for HA.
Authors: Guanghui Qin, Corby Rosset, Ethan C. Chau, Nikhil Rao, Benjamin Van Durme
Abstract: Transformer-based language models (LMs) are inefficient in long contexts. We propose Dodo, a solution for context compression. Instead of one vector per token in a standard transformer model, Dodo represents text with a dynamic number of hidden states at each layer, reducing the cost of self-attention to a fraction of typical time and space. Moreover, off-the-shelf models such as LLaMA can be adapted to Dodo by efficient parameter tuning methods such as LoRA. In use, Dodo can act as either an autoregressive LM or a context compressor for downstream tasks. We demonstrate through experiments in language modeling, question answering, and summarization that Dodo retains capabilities in these tasks, while drastically reducing the overhead during decoding. For example, in the autoencoding task, Dodo shrinks context at a 20x compression ratio with a BLEU score of 98% for reconstruction, achieving nearly lossless encoding.
Authors: Bowen Jin, Hansi Zeng, Guoyin Wang, Xiusi Chen, Tianxin Wei, Ruirui Li, Zhengyang Wang, Zheng Li, Yang Li, Hanqing Lu, Suhang Wang, Jiawei Han, Xianfeng Tang
Abstract: Semantic identifier (ID) is an important concept in information retrieval that aims to preserve the semantics of objects such as documents and items inside their IDs. Previous studies typically adopt a two-stage pipeline to learn semantic IDs by first procuring embeddings using off-the-shelf text encoders and then deriving IDs based on the embeddings. However, each step introduces potential information loss, and there is usually an inherent mismatch between the distribution of embeddings within the latent space produced by text encoders and the anticipated distribution required for semantic indexing. It is non-trivial to design a method that can learn the document's semantic representations and its hierarchical structure simultaneously, given that semantic IDs are discrete and sequentially structured, and the semantic supervision is deficient. In this paper, we introduce LMIndexer, a self-supervised framework to learn semantic IDs with a generative language model. We tackle the challenge of sequential discrete ID by introducing a semantic indexer capable of generating neural sequential discrete representations with progressive training and contrastive learning. In response to the semantic supervision deficiency, we propose to train the model with a self-supervised document reconstruction objective. We show the high quality of the learned IDs and demonstrate their effectiveness on three tasks including recommendation, product search, and document retrieval on five datasets from various domains. Code is available at https://github.com/PeterGriffinJin/LMIndexer.
Authors: Le Yu, Bowen Yu, Haiyang Yu, Fei Huang, Yongbin Li
Abstract: In this paper, we unveil that Language Models (LMs) can acquire new capabilities by assimilating parameters from homologous models without retraining or GPUs. We first introduce DARE to set most delta parameters (i.e., the disparity between fine-tuned and pre-trained parameters) to zeros without affecting the abilities of Supervised Fine-Tuning (SFT) LMs, which randomly Drops delta parameters with a ratio $p$ And REscales the remaining ones by $1 / (1 - p)$ to approximate the original embeddings. Then, we use DARE as a versatile plug-in to sparsify delta parameters of multiple SFT homologous models for mitigating parameter interference and merge them into a single model by parameter fusing. We experiment with encoder- and decoder-based LMs, showing that: (1) SFT delta parameter value ranges are typically small (within 0.002) with extreme redundancy, and DARE can effortlessly eliminate 90% or even 99% of them; (2) DARE can merge multiple task-specific LMs into one LM with diverse capabilities. Notably, this phenomenon is more pronounced in large-scale LMs, where the merged LM reveals the potential to surpass the performance of any source LM, providing a new discovery. We also utilize DARE to create a merged LM that ranks first among models with 7 billion parameters on the Open LLM Leaderboard.
Authors: Ayoub Belhadji, R\'emi Gribonval
Abstract: In the context of sketching for compressive mixture modeling, we revisit existing proofs of the Restricted Isometry Property of sketching operators with respect to certain mixtures models. After examining the shortcomings of existing guarantees, we propose an alternative analysis that circumvents the need to assume importance sampling when drawing random Fourier features to build random sketching operators. Our analysis is based on new deterministic bounds on the restricted isometry constant that depend solely on the set of frequencies used to define the sketching operator; then we leverage these bounds to establish concentration inequalities for random sketching operators that lead to the desired RIP guarantees. Our analysis also opens the door to theoretical guarantees for structured sketching with frequencies associated to fast random linear operators.
Authors: Pawe{\l} Leszczy\'nski, Kamil Kutorasi\'nski, Marcin Szewczyk, Jaros{\l}aw Paw{\l}owski
Abstract: We present a general framework for modeling power magnetic materials characteristics using deep neural networks. Magnetic materials represented by multidimensional characteristics (that mimic measurements) are used to train the neural autoencoder model in an unsupervised manner. The encoder is trying to predict the material parameters of a theoretical model, which is then used in a decoder part. The decoder, using the predicted parameters, reconstructs the input characteristics. The neural model is trained to capture a synthetically generated set of characteristics that can cover a broad range of material behaviors, leading to a model that can generalize on the underlying physics rather than just optimize the model parameters for a single measurement. After setting up the model, we prove its usefulness in the complex problem of modeling magnetic materials in the frequency and current (out-of-linear range) domains simultaneously, for which we use measured characteristics obtained for frequency up to $10$ MHz and H-field up to saturation.
Authors: Zike Wu, Pan Zhou, Xuanyu Yi, Xiaoding Yuan, Hanwang Zhang
Abstract: Score distillation sampling (SDS) and its variants have greatly boosted the development of text-to-3D generation, but are vulnerable to geometry collapse and poor textures yet. To solve this issue, we first deeply analyze the SDS and find that its distillation sampling process indeed corresponds to the trajectory sampling of a stochastic differential equation (SDE): SDS samples along an SDE trajectory to yield a less noisy sample which then serves as a guidance to optimize a 3D model. However, the randomness in SDE sampling often leads to a diverse and unpredictable sample which is not always less noisy, and thus is not a consistently correct guidance, explaining the vulnerability of SDS. Since for any SDE, there always exists an ordinary differential equation (ODE) whose trajectory sampling can deterministically and consistently converge to the desired target point as the SDE, we propose a novel and effective "Consistent3D" method that explores the ODE deterministic sampling prior for text-to-3D generation. Specifically, at each training iteration, given a rendered image by a 3D model, we first estimate its desired 3D score function by a pre-trained 2D diffusion model, and build an ODE for trajectory sampling. Next, we design a consistency distillation sampling loss which samples along the ODE trajectory to generate two adjacent samples and uses the less noisy sample to guide another more noisy one for distilling the deterministic prior into the 3D model. Experimental results show the efficacy of our Consistent3D in generating high-fidelity and diverse 3D objects and large-scale scenes, as shown in Fig. 1. The codes are available at https://github.com/sail-sg/Consistent3D.
Authors: Pengyi Li, Jianye Hao, Hongyao Tang, Xian Fu, Yan Zheng, Ke Tang
Abstract: Evolutionary Reinforcement Learning (ERL), which integrates Evolutionary Algorithms (EAs) and Reinforcement Learning (RL) for optimization, has demonstrated remarkable performance advancements. By fusing both approaches, ERL has emerged as a promising research direction. This survey offers a comprehensive overview of the diverse research branches in ERL. Specifically, we systematically summarize recent advancements in related algorithms and identify three primary research directions: EA-assisted Optimization of RL, RL-assisted Optimization of EA, and synergistic optimization of EA and RL. Following that, we conduct an in-depth analysis of each research direction, organizing multiple research branches. We elucidate the problems that each branch aims to tackle and how the integration of EAs and RL addresses these challenges. In conclusion, we discuss potential challenges and prospective future research directions across various research directions. To facilitate researchers in delving into ERL, we organize the algorithms and codes involved on https://github.com/yeshenpy/Awesome-Evolutionary-Reinforcement-Learning.
URLs: https://github.com/yeshenpy/Awesome-Evolutionary-Reinforcement-Learning.
Authors: Bunlong Lay, Timo Gerkmann
Abstract: Diffusion models proved to be powerful models for generative speech enhancement. In recent SGMSE+ approaches, training involves a stochastic differential equation for the diffusion process, adding both Gaussian and environmental noise to the clean speech signal gradually. The speech enhancement performance varies depending on the choice of the stochastic differential equation that controls the evolution of the mean and the variance along the diffusion processes when adding environmental and Gaussian noise. In this work, we highlight that the scale of the variance is a dominant parameter for speech enhancement performance and show that it controls the tradeoff between noise attenuation and speech distortions. More concretely, we show that a larger variance increases the noise attenuation and allows for reducing the computational footprint, as fewer function evaluations for generating the estimate are required
Authors: Jinyuan Chang, Zhao Ding, Yuling Jiao, Ruoxuan Li, Jerry Zhijian Yang
Abstract: We introduce an ordinary differential equation (ODE) based deep generative method for learning conditional distributions, named Conditional F\"ollmer Flow. Starting from a standard Gaussian distribution, the proposed flow could approximate the target conditional distribution very well when the time is close to 1. For effective implementation, we discretize the flow with Euler's method where we estimate the velocity field nonparametrically using a deep neural network. Furthermore, we also establish the convergence result for the Wasserstein-2 distance between the distribution of the learned samples and the target conditional distribution, providing the first comprehensive end-to-end error analysis for conditional distribution learning via ODE flow. Our numerical experiments showcase its effectiveness across a range of scenarios, from standard nonparametric conditional density estimation problems to more intricate challenges involving image data, illustrating its superiority over various existing conditional density estimation methods.
Authors: Seongsu Kim, Sungsoo Ahn
Abstract: This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this end, we introduce the Gaussian plane-wave neural operator (GPWNO), which operates in the infinite-dimensional functional space using the plane-wave and Gaussian-type orbital bases, widely recognized in the context of DFT. In particular, both high- and low-frequency components of the density can be effectively represented due to the complementary nature of the two bases. Extensive experiments on QM9, MD, and material project datasets demonstrate GPWNO's superior performance over ten baselines.
Authors: Mengzhou Xia, Sadhika Malladi, Suchin Gururangan, Sanjeev Arora, Danqi Chen
Abstract: Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.
Authors: Cho-Yuan Lee, Kuan-Chen Wang, Kai-Chun Liu, Yu-Te Wang, Xugang Lu, Ping-Cheng Yeh, Yu Tsao
Abstract: In practical scenarios involving the measurement of surface electromyography (sEMG) in muscles, particularly those areas near the heart, one of the primary sources of contamination is the presence of electrocardiogram (ECG) signals. To assess the quality of real-world sEMG data more effectively, this study proposes QASE-net, a new non-intrusive model that predicts the SNR of sEMG signals. QASE-net combines CNN-BLSTM with attention mechanisms and follows an end-to-end training strategy. Our experimental framework utilizes real-world sEMG and ECG data from two open-access databases, the Non-Invasive Adaptive Prosthetics Database and the MIT-BIH Normal Sinus Rhythm Database, respectively. The experimental results demonstrate the superiority of QASE-net over the previous assessment model, exhibiting significantly reduced prediction errors and notably higher linear correlations with the ground truth. These findings show the potential of QASE-net to substantially enhance the reliability and precision of sEMG quality assessment in practical applications.
Authors: Matteo Paiano, Stefano Martina, Carlotta Giannelli, Filippo Caruso
Abstract: The availability of data is limited in some fields, especially for object detection tasks, where it is necessary to have correctly labeled bounding boxes around each object. A notable example of such data scarcity is found in the domain of marine biology, where it is useful to develop methods to automatically detect submarine species for environmental monitoring. To address this data limitation, the state-of-the-art machine learning strategies employ two main approaches. The first involves pretraining models on existing datasets before generalizing to the specific domain of interest. The second strategy is to create synthetic datasets specifically tailored to the target domain using methods like copy-paste techniques or ad-hoc simulators. The first strategy often faces a significant domain shift, while the second demands custom solutions crafted for the specific task. In response to these challenges, here we propose a transfer learning framework that is valid for a generic scenario. In this framework, generated images help to improve the performances of an object detector in a few-real data regime. This is achieved through a diffusion-based generative model that was pretrained on large generic datasets. With respect to the state-of-the-art, we find that it is not necessary to fine tune the generative model on the specific domain of interest. We believe that this is an important advance because it mitigates the labor-intensive task of manual labeling the images in object detection tasks. We validate our approach focusing on fishes in an underwater environment, and on the more common domain of cars in an urban setting. Our method achieves detection performance comparable to models trained on thousands of images, using only a few hundreds of input data. Our results pave the way for new generative AI-based protocols for machine learning applications in various domains.
Authors: Anastasios Tsiamis, Aren Karapetyan, Yueshan Li, Efe C. Balta, John Lygeros
Abstract: In this paper, we study the problem of online tracking in linear control systems, where the objective is to follow a moving target. Unlike classical tracking control, the target is unknown, non-stationary, and its state is revealed sequentially, thus, fitting the framework of online non-stochastic control. We consider the case of quadratic costs and propose a new algorithm, called predictive linear online tracking (PLOT). The algorithm uses recursive least squares with exponential forgetting to learn a time-varying dynamic model of the target. The learned model is used in the optimal policy under the framework of receding horizon control. We show the dynamic regret of PLOT scales with $\mathcal{O}(\sqrt{TV_T})$, where $V_T$ is the total variation of the target dynamics and $T$ is the time horizon. Unlike prior work, our theoretical results hold for non-stationary targets. We implement PLOT on a real quadrotor and provide open-source software, thus, showcasing one of the first successful applications of online control methods on real hardware.
Authors: Nina Vesseron, Marco Cuturi
Abstract: In 1991, Brenier proved a theorem that generalizes the polar decomposition for square matrices -- factored as PSD $\times$ unitary -- to any vector field $F:\mathbb{R}^d\rightarrow \mathbb{R}^d$. The theorem, known as the polar factorization theorem, states that any field $F$ can be recovered as the composition of the gradient of a convex function $u$ with a measure-preserving map $M$, namely $F=\nabla u \circ M$. We propose a practical implementation of this far-reaching theoretical result, and explore possible uses within machine learning. The theorem is closely related to optimal transport (OT) theory, and we borrow from recent advances in the field of neural optimal transport to parameterize the potential $u$ as an input convex neural network. The map $M$ can be either evaluated pointwise using $u^*$, the convex conjugate of $u$, through the identity $M=\nabla u^* \circ F$, or learned as an auxiliary network. Because $M$ is, in general, not injective, we consider the additional task of estimating the ill-posed inverse map that can approximate the pre-image measure $M^{-1}$ using a stochastic generator. We illustrate possible applications of Brenier's polar factorization to non-convex optimization problems, as well as sampling of densities that are not log-concave.
Authors: Joseph Gatto, Parker Seegmiller, Omar Sharif, Sarah M. Preum
Abstract: Event Argument Extraction (EAE) is an extremely difficult information extraction problem -- with significant limitations in few-shot cross-domain (FSCD) settings. A common solution to FSCD modeling is data augmentation. Unfortunately, existing augmentation methods are not well-suited to a variety of real-world EAE contexts including (i) The need to model long documents (10+ sentences) (ii) The need to model zero and few-shot roles (i.e. event roles with little to no training representation). In this work, we introduce two novel LLM-powered data augmentation frameworks for synthesizing extractive document-level EAE samples using zero in-domain training data. Our highest performing methods provide a 16-pt increase in F1 score on extraction of zero shot role types. To better facilitate analysis of cross-domain EAE, we additionally introduce a new metric, Role-Depth F1 (RDF1), which uses statistical depth to identify roles in the target domain which are semantic outliers with respect to roles observed in the source domain. Our experiments show that LLM-based augmentation can boost RDF1 performance by up to 11 F1 points compared to baseline methods.
Authors: Yaniv Yacoby, Weiwei Pan, Finale Doshi-Velez
Abstract: Inference for Variational Autoencoders (VAEs) consists of learning two models: (1) a generative model, which transforms a simple distribution over a latent space into the distribution over observed data, and (2) an inference model, which approximates the posterior of the latent codes given data. The two components are learned jointly via a lower bound to the generative model's log marginal likelihood. In early phases of joint training, the inference model poorly approximates the latent code posteriors. Recent work showed that this leads optimization to get stuck in local optima, negatively impacting the learned generative model. As such, recent work suggests ensuring a high-quality inference model via iterative training: maximizing the objective function relative to the inference model before every update to the generative model. Unfortunately, iterative training is inefficient, requiring heuristic criteria for reverting from iterative to joint training for speed. Here, we suggest an inference method that trains the generative and inference models independently. It approximates the posterior of the true model a priori; fixing this posterior approximation, we then maximize the lower bound relative to only the generative model. By conventional wisdom, this approach should rely on the true prior and likelihood of the true model to approximate its posterior (which are unknown). However, we show that we can compute a deterministic, model-agnostic posterior approximation (MAPA) of the true model's posterior. We then use MAPA to develop a proof-of-concept inference method. We present preliminary results on low-dimensional synthetic data that (1) MAPA captures the trend of the true posterior, and (2) our MAPA-based inference performs better density estimation with less computation than baselines. Lastly, we present a roadmap for scaling the MAPA-based inference method to high-dimensional data.
Authors: Fangqiang Ding, Lawrence Zhu, Xiangyu Wen, Gaowen Liu, Chris Xiaoxuan Lu
Abstract: In this work, we present ThermoHands, a new benchmark for thermal image-based egocentric 3D hand pose estimation, aimed at overcoming challenges like varying lighting conditions and obstructions (e.g., handwear). The benchmark includes a multi-view and multi-spectral dataset collected from 28 subjects performing hand-object and hand-virtual interactions under diverse scenarios, accurately annotated with 3D hand poses through an automated process. We introduce a new baseline method, TherFormer, utilizing dual transformer modules for effective egocentric 3D hand pose estimation in thermal imagery. Our experimental results highlight TherFormer's leading performance and affirm thermal imaging's effectiveness in enabling robust 3D hand pose estimation in adverse conditions.
Authors: Hanxi Wan, Pei Li, Arpan Kusari
Abstract: With the advent of universal function approximators in the domain of reinforcement learning, the number of practical applications leveraging deep reinforcement learning (DRL) has exploded. Decision-making in autonomous vehicles (AVs) has emerged as a chief application among them, taking the sensor data or the higher-order kinematic variables as the input and providing a discrete choice or continuous control output. There has been a continuous effort to understand the black-box nature of the DRL models, but so far, there hasn't been any discussion (to the best of authors' knowledge) about how the models learn the physical process. This presents an overwhelming limitation that restricts the real-world deployment of DRL in AVs. Therefore, in this research work, we try to decode the knowledge learnt by the attention-based DRL framework about the physical process. We use a continuous proximal policy optimization-based DRL algorithm as the baseline model and add a multi-head attention framework in an open-source AV simulation environment. We provide some analytical techniques for discussing the interpretability of the trained models in terms of explainability and causality for spatial and temporal correlations. We show that the weights in the first head encode the positions of the neighboring vehicles while the second head focuses on the leader vehicle exclusively. Also, the ego vehicle's action is causally dependent on the vehicles in the target lane spatially and temporally. Through these findings, we reliably show that these techniques can help practitioners decipher the results of the DRL algorithms.
Authors: Kangjie Zheng (equal contribution), Siyu Long (equal contribution), Tianyu Lu, Junwei Yang, Xinyu Dai, Ming Zhang, Zaiqing Nie, Wei-Ying Ma, Hao Zhou
Abstract: Protein language models have demonstrated significant potential in the field of protein engineering. However, current protein language models primarily operate at the residue scale, which limits their ability to provide information at the atom level. This limitation prevents us from fully exploiting the capabilities of protein language models for applications involving both proteins and small molecules. In this paper, we propose ESM-AA (ESM All-Atom), a novel approach that enables atom-scale and residue-scale unified molecular modeling. ESM-AA achieves this by pre-training on multi-scale code-switch protein sequences and utilizing a multi-scale position encoding to capture relationships among residues and atoms. Experimental results indicate that ESM-AA surpasses previous methods in protein-molecule tasks, demonstrating the full utilization of protein language models. Further investigations reveal that through unified molecular modeling, ESM-AA not only gains molecular knowledge but also retains its understanding of proteins. The source codes of ESM-AA are publicly released at https://github.com/zhengkangjie/ESM-AA.
Authors: Ieva Petrulionyte, Julien Mairal, Michael Arbel
Abstract: In this paper, we introduce a new functional point of view on bilevel optimization problems for machine learning, where the inner objective is minimized over a function space. These types of problems are most often solved by using methods developed in the parametric setting, where the inner objective is strongly convex with respect to the parameters of the prediction function. The functional point of view does not rely on this assumption and notably allows using over-parameterized neural networks as the inner prediction function. We propose scalable and efficient algorithms for the functional bilevel optimization problem and illustrate the benefits of our approach on instrumental regression and reinforcement learning tasks.
Authors: Ming-Kun Xie, Jia-Hao Xiao, Pei Peng, Gang Niu, Masashi Sugiyama, Sheng-Jun Huang
Abstract: The key to multi-label image classification (MLC) is to improve model performance by leveraging label correlations. Unfortunately, it has been shown that overemphasizing co-occurrence relationships can cause the overfitting issue of the model, ultimately leading to performance degradation. In this paper, we provide a causal inference framework to show that the correlative features caused by the target object and its co-occurring objects can be regarded as a mediator, which has both positive and negative impacts on model predictions. On the positive side, the mediator enhances the recognition performance of the model by capturing co-occurrence relationships; on the negative side, it has the harmful causal effect that causes the model to make an incorrect prediction for the target object, even when only co-occurring objects are present in an image. To address this problem, we propose a counterfactual reasoning method to measure the total direct effect, achieved by enhancing the direct effect caused only by the target object. Due to the unknown location of the target object, we propose patching-based training and inference to accomplish this goal, which divides an image into multiple patches and identifies the pivot patch that contains the target object. Experimental results on multiple benchmark datasets with diverse configurations validate that the proposed method can achieve state-of-the-art performance.
Authors: Arkadiy Dushatskiy, Esther Julien, Leen Stougie, Leo van Iersel
Abstract: Tree Containment is a fundamental problem in phylogenetics useful for verifying a proposed phylogenetic network, representing the evolutionary history of certain species. Tree Containment asks whether the given phylogenetic tree (for instance, constructed from a DNA fragment showing tree-like evolution) is contained in the given phylogenetic network. In the general case, this is an NP-complete problem. We propose to solve it approximately using Graph Neural Networks. In particular, we propose to combine the given network and the tree and apply a Graph Neural Network to this network-tree graph. This way, we achieve the capability of solving the tree containment instances representing a larger number of species than the instances contained in the training dataset (i.e., our algorithm has the inductive learning ability). Our algorithm demonstrates an accuracy of over $95\%$ in solving the tree containment problem on instances with up to 100 leaves.
Authors: Emmanuelle Bourigault, Pauline Bourigault
Abstract: Generating consistent multiple views for 3D reconstruction tasks is still a challenge to existing image-to-3D diffusion models. Generally, incorporating 3D representations into diffusion model decrease the model's speed as well as generalizability and quality. This paper proposes a general framework to generate consistent multi-view images from single image or leveraging scene representation transformer and view-conditioned diffusion model. In the model, we introduce epipolar geometry constraints and multi-view attention to enforce 3D consistency. From as few as one image input, our model is able to generate 3D meshes surpassing baselines methods in evaluation metrics, including PSNR, SSIM and LPIPS.
Authors: Fakrul Islam Tushar, Avivah Wang, Lavsen Dahal, Michael R. Harowicz, Kyle J. Lafata, Tina D. Tailor, Joseph Y. Lo
Abstract: Lung cancer's high mortality rate can be mitigated by early detection, increasingly reliant on AI for diagnostic imaging. However, AI model performance depends on training and validation datasets. This study develops and validates AI models for both nodule detection and cancer classification tasks. For detection, two models (DLCSD-mD and LUNA16-mD) were developed using the Duke Lung Cancer Screening Dataset (DLCSD), with over 2,000 CT scans from 1,613 patients and more than 3,000 annotations. These models were evaluated on internal (DLCSD) and external datasets, including LUNA16 (601 patients, 1186 nodules) and NLST (969 patients, 1192 nodules), using FROC analysis and AUC metrics. For classification, five models were developed and tested: a randomly initialized 3D ResNet50, Genesis, MedNet3D, an enhanced ResNet50 using Strategic Warm-Start++ (SWS++), and a linear classifier analyzing features from the Foundation Model for Cancer Biomarkers (FMCB). These models were trained to distinguish between benign and malignant nodules and evaluated using AUC analysis on internal (DLCSD) and external datasets, including LUNA16 (433 patients, 677 nodules) and NLST. The DLCSD-mD model achieved an AUC of 0.93 (95% CI: 0.91-0.94) on the internal DLCSD dataset. External validation results were 0.97 (95% CI: 0.96-0.98) on LUNA16 and 0.75 (95% CI: 0.73-0.76) on NLST. For classification, the ResNet50-SWS++ model recorded AUCs of 0.71 (95% CI: 0.61-0.81) on DLCSD, 0.90 (95% CI: 0.87-0.93) on LUNA16, and 0.81 (95% CI: 0.79-0.82) on NLST. Other models showed varying performance across datasets, underscoring the importance of diverse model approaches. This benchmarking establishes DLCSD as a reliable resource for lung cancer AI research.
Authors: Fangqiang Ding, Xiangyu Wen, Lawrence Zhu, Yiming Li, Chris Xiaoxuan Lu
Abstract: 3D occupancy-based perception pipeline has significantly advanced autonomous driving by capturing detailed scene descriptions and demonstrating strong generalizability across various object categories and shapes. Current methods predominantly rely on LiDAR or camera inputs for 3D occupancy prediction. These methods are susceptible to adverse weather conditions, limiting the all-weather deployment of self-driving cars. To improve perception robustness, we leverage the recent advances in automotive radars and introduce a novel approach that utilizes 4D imaging radar sensors for 3D occupancy prediction. Our method, RadarOcc, circumvents the limitations of sparse radar point clouds by directly processing the 4D radar tensor, thus preserving essential scene details. RadarOcc innovatively addresses the challenges associated with the voluminous and noisy 4D radar data by employing Doppler bins descriptors, sidelobe-aware spatial sparsification, and range-wise self-attention mechanisms. To minimize the interpolation errors associated with direct coordinate transformations, we also devise a spherical-based feature encoding followed by spherical-to-Cartesian feature aggregation. We benchmark various baseline methods based on distinct modalities on the public K-Radar dataset. The results demonstrate RadarOcc's state-of-the-art performance in radar-based 3D occupancy prediction and promising results even when compared with LiDAR- or camera-based methods. Additionally, we present qualitative evidence of the superior performance of 4D radar in adverse weather conditions and explore the impact of key pipeline components through ablation studies.
Authors: Artem Lukoianov, Haitz S\'aez de Oc\'ariz Borde, Kristjan Greenewald, Vitor Campagnolo Guizilini, Timur Bagautdinov, Vincent Sitzmann, Justin Solomon
Abstract: While 2D diffusion models generate realistic, high-detail images, 3D shape generation methods like Score Distillation Sampling (SDS) built on these 2D diffusion models produce cartoon-like, over-smoothed shapes. To help explain this discrepancy, we show that the image guidance used in Score Distillation can be understood as the velocity field of a 2D denoising generative process, up to the choice of a noise term. In particular, after a change of variables, SDS resembles a high-variance version of Denoising Diffusion Implicit Models (DDIM) with a differently-sampled noise term: SDS introduces noise i.i.d. randomly at each step, while DDIM infers it from the previous noise predictions. This excessive variance can lead to over-smoothing and unrealistic outputs. We show that a better noise approximation can be recovered by inverting DDIM in each SDS update step. This modification makes SDS's generative process for 2D images almost identical to DDIM. In 3D, it removes over-smoothing, preserves higher-frequency detail, and brings the generation quality closer to that of 2D samplers. Experimentally, our method achieves better or similar 3D generation quality compared to other state-of-the-art Score Distillation methods, all without training additional neural networks or multi-view supervision, and providing useful insights into relationship between 2D and 3D asset generation with diffusion models.
Authors: Pierre-Fran\c{c}ois Marteau (EXPRESSION)
Abstract: We introduce and detail an atypical neural network architecture, called time elastic neural network (teNN), for multivariate time series classification. The novelty compared to classical neural network architecture is that it explicitly incorporates time warping ability, as well as a new way of considering attention. In addition, this architecture is capable of learning a dropout strategy, thus optimizing its own architecture.Behind the design of this architecture, our overall objective is threefold: firstly, we are aiming at improving the accuracy of instance based classification approaches that shows quite good performances as far as enough training data is available. Secondly we seek to reduce the computational complexity inherent to these methods to improve their scalability. Ideally, we seek to find an acceptable balance between these first two criteria. And finally, we seek to enhance the explainability of the decision provided by this kind of neural architecture.The experiment demonstrates that the stochastic gradient descent implemented to train a teNN is quite effective. To the extent that the selection of some critical meta-parameters is correct, convergence is generally smooth and fast.While maintaining good accuracy, we get a drastic gain in scalability by first reducing the required number of reference time series, i.e. the number of teNN cells required. Secondly, we demonstrate that, during the training process, the teNN succeeds in reducing the number of neurons required within each cell. Finally, we show that the analysis of the activation and attention matrices as well as the reference time series after training provides relevant information to interpret and explain the classification results.The comparative study that we have carried out and which concerns around thirty diverse and multivariate datasets shows that the teNN obtains results comparable to those of the state of the art, in particular similar to those of a network mixing LSTM and CNN architectures for example.
Authors: Kailu Wu, Fangfu Liu, Zhihan Cai, Runjie Yan, Hanyang Wang, Yating Hu, Yueqi Duan, Kaisheng Ma
Abstract: In this work, we introduce Unique3D, a novel image-to-3D framework for efficiently generating high-quality 3D meshes from single-view images, featuring state-of-the-art generation fidelity and strong generalizability. Previous methods based on Score Distillation Sampling (SDS) can produce diversified 3D results by distilling 3D knowledge from large 2D diffusion models, but they usually suffer from long per-case optimization time with inconsistent issues. Recent works address the problem and generate better 3D results either by finetuning a multi-view diffusion model or training a fast feed-forward model. However, they still lack intricate textures and complex geometries due to inconsistency and limited generated resolution. To simultaneously achieve high fidelity, consistency, and efficiency in single image-to-3D, we propose a novel framework Unique3D that includes a multi-view diffusion model with a corresponding normal diffusion model to generate multi-view images with their normal maps, a multi-level upscale process to progressively improve the resolution of generated orthographic multi-views, as well as an instant and consistent mesh reconstruction algorithm called ISOMER, which fully integrates the color and geometric priors into mesh results. Extensive experiments demonstrate that our Unique3D significantly outperforms other image-to-3D baselines in terms of geometric and textural details.
Authors: Wei Li, William Bishop, Alice Li, Chris Rawles, Folawiyo Campbell-Ajala, Divya Tyamagundlu, Oriana Riva
Abstract: Autonomous agents that control computer interfaces to accomplish human tasks are emerging. Leveraging LLMs to power such agents has been of special interest, but unless fine-tuned on human-collected task demonstrations, performance is still relatively low. In this work we study whether fine-tuning alone is a viable approach for building real-world computer control agents. In particularly, we investigate how performance measured on both high and low-level tasks in domain and out of domain scales as more training data is collected. To this end we collect and release a new dataset, AndroidControl, consisting of 15,283 demonstrations of everyday tasks with Android apps. Compared to existing datasets, each AndroidControl task instance includes both high and low-level human-generated instructions, allowing us to explore the level of task complexity an agent can handle. Moreover, AndroidControl is the most diverse computer control dataset to date, including 15,283 unique tasks over 833 Android apps, thus allowing us to conduct in-depth analysis of the model performance in and out of the domain of the training data. Using the dataset, we find that when tested in domain fine-tuned models outperform zero and few-shot baselines and scale in such a way that robust performance might feasibly be obtained simply by collecting more data. Out of domain, performance scales significantly more slowly and suggests that in particular for high-level tasks, fine-tuning on more data alone may be insufficient for achieving robust out-of-domain performance.
Authors: Jiahui Wu, Vanessa Frias-Martinez
Abstract: Deep learning crime predictive tools use past crime data and additional behavioral datasets to forecast future crimes. Nevertheless, these tools have been shown to suffer from unfair predictions across minority racial and ethnic groups. Current approaches to address this unfairness generally propose either pre-processing methods that mitigate the bias in the training datasets by applying corrections to crime counts based on domain knowledge or in-processing methods that are implemented as fairness regularizers to optimize for both accuracy and fairness. In this paper, we propose a novel deep learning architecture that combines the power of these two approaches to increase prediction fairness. Our results show that the proposed model improves the fairness of crime predictions when compared to models with in-processing de-biasing approaches and with models without any type of bias correction, albeit at the cost of reducing accuracy.
Authors: Sergio Casas, Ben Agro, Jiageng Mao, Thomas Gilles, Alexander Cui, Thomas Li, Raquel Urtasun
Abstract: The tasks of object detection and trajectory forecasting play a crucial role in understanding the scene for autonomous driving. These tasks are typically executed in a cascading manner, making them prone to compounding errors. Furthermore, there is usually a very thin interface between the two tasks, creating a lossy information bottleneck. To address these challenges, our approach formulates the union of the two tasks as a trajectory refinement problem, where the first pose is the detection (current time), and the subsequent poses are the waypoints of the multiple forecasts (future time). To tackle this unified task, we design a refinement transformer that infers the presence, pose, and multi-modal future behaviors of objects directly from LiDAR point clouds and high-definition maps. We call this model DeTra, short for object Detection and Trajectory forecasting. In our experiments, we observe that \ourmodel{} outperforms the state-of-the-art on Argoverse 2 Sensor and Waymo Open Dataset by a large margin, across a broad range of metrics. Last but not least, we perform extensive ablation studies that show the value of refinement for this task, that every proposed component contributes positively to its performance, and that key design choices were made.
Authors: Neeraj Gaur, Rohan Agrawal, Gary Wang, Parisa Haghani, Andrew Rosenberg, Bhuvana Ramabhadran
Abstract: This paper introduces ASTRA, a novel method for improving Automatic Speech Recognition (ASR) through text injection.Unlike prevailing techniques, ASTRA eliminates the need for sampling to match sequence lengths between speech and text modalities. Instead, it leverages the inherent alignments learned within CTC/RNNT models. This approach offers the following two advantages, namely, avoiding potential misalignment between speech and text features that could arise from upsampling and eliminating the need for models to accurately predict duration of sub-word tokens. This novel formulation of modality (length) matching as a weighted RNNT objective matches the performance of the state-of-the-art duration-based methods on the FLEURS benchmark, while opening up other avenues of research in speech processing.
Authors: Michel Adamic, Wellington Avelino, Anna Brandenberger, Bryan Chiang, Hunter Davis, Stephen Fay, Andrew Gregory, Aayush Gupta, Raphael Hotter, Grace Jiang, Fiona Leng, Stephen Polcyn, Thomas Ribeiro, Paul Scotti, Michelle Wang, Marley Xiong, Jonathan Xu
Abstract: We demonstrate the possibility of reconstructing images from fNIRS brain activity and start building a prototype to match the required specs. By training an image reconstruction model on downsampled fMRI data, we discovered that cm-scale spatial resolution is sufficient for image generation. We obtained 71% retrieval accuracy with 1-cm resolution, compared to 93% on the full-resolution fMRI, and 20% with 2-cm resolution. With simulations and high-density tomography, we found that time-domain fNIRS can achieve 1-cm resolution, compared to 2-cm resolution for continuous-wave fNIRS. Lastly, we share designs for a prototype time-domain fNIRS device, consisting of a laser driver, a single photon detector, and a time-to-digital converter system.
Authors: Md. Shariful Islam, SM Shaqib, Shahriar Sultan Ramit, Shahrun Akter Khushbu, Mr. Abdus Sattar, Dr. Sheak Rashed Haider Noori
Abstract: In the construction sector, ensuring worker safety is of the utmost significance. In this study, a deep learning-based technique is presented for identifying safety gear worn by construction workers, such as helmets, goggles, jackets, gloves, and footwears. The recommended approach uses the YOLO v7 (You Only Look Once) object detection algorithm to precisely locate these safety items. The dataset utilized in this work consists of labeled images split into training, testing and validation sets. Each image has bounding box labels that indicate where the safety equipment is located within the image. The model is trained to identify and categorize the safety equipment based on the labeled dataset through an iterative training approach. We used custom dataset to train this model. Our trained model performed admirably well, with good precision, recall, and F1-score for safety equipment recognition. Also, the model's evaluation produced encouraging results, with a mAP@0.5 score of 87.7\%. The model performs effectively, making it possible to quickly identify safety equipment violations on building sites. A thorough evaluation of the outcomes reveals the model's advantages and points up potential areas for development. By offering an automatic and trustworthy method for safety equipment detection, this research makes a contribution to the fields of computer vision and workplace safety. The proposed deep learning-based approach will increase safety compliance and reduce the risk of accidents in the construction industry
Authors: Taiming Lu, Lingfeng Shen, Xinyu Yang, Weiting Tan, Beidi Chen, Huaxiu Yao
Abstract: Reinforcement Learning from Human Feedback (RLHF) involves training policy models (PMs) and reward models (RMs) to align language models with human preferences. Instead of focusing solely on PMs and RMs independently, we propose to examine their interactions during fine-tuning, introducing the concept of seamlessness. Our study starts with observing the saturation phenomenon, where continual improvements in RM and PM do not translate into RLHF progress. Our analysis shows that RMs fail to assign proper scores to PM responses, resulting in a 35% mismatch rate with human preferences, highlighting a significant discrepancy between PM and RM. To measure seamlessness between PM and RM without human effort, we propose an automatic metric, SEAM. SEAM quantifies the discrepancies between PM and RM judgments induced by data samples. We validate the effectiveness of SEAM in data selection and model augmentation. Our experiments demonstrate that (1) using SEAM-filtered data for RL training improves RLHF performance by 4.5%, and (2) SEAM-guided model augmentation results in a 4% performance improvement over standard augmentation methods.
Authors: Wen-Ding Li, Kevin Ellis
Abstract: Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples. Such systems are practically and theoretically important: from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference. Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have `solved' PBE. We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data. We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution. We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization. Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.
Authors: Zhao Mandi, Yijia Weng, Dominik Bauer, Shuran Song
Abstract: We present Real2Code, a novel approach to reconstructing articulated objects via code generation. Given visual observations of an object, we first reconstruct its part geometry using an image segmentation model and a shape completion model. We then represent the object parts with oriented bounding boxes, which are input to a fine-tuned large language model (LLM) to predict joint articulation as code. By leveraging pre-trained vision and language models, our approach scales elegantly with the number of articulated parts, and generalizes from synthetic training data to real world objects in unstructured environments. Experimental results demonstrate that Real2Code significantly outperforms previous state-of-the-art in reconstruction accuracy, and is the first approach to extrapolate beyond objects' structural complexity in the training set, and reconstructs objects with up to 10 articulated parts. When incorporated with a stereo reconstruction model, Real2Code also generalizes to real world objects from a handful of multi-view RGB images, without the need for depth or camera information.