pwc-archive/papers-with-abstracts huggingface dataset:
Dissecting the Impact of Model Misspecification in Data-Driven Optimization
Authors: Adam N. Elmachtoub, Henry Lam, Haixiang Lan, Haofeng Zhang
Date: 2025-03-01 00:00:00
Tasks: Decision Making

Data-driven optimization aims to translate a machine learning model into decision-making by optimizing decisions on estimated costs. Such a pipeline can be conducted by fitting a distributional model which is then plugged into the target optimization problem. While this fitting can utilize traditional methods such as maximum likelihood, a more recent approach uses estimation-optimization integration that minimizes decision error instead of estimation error. Although intuitive, the statistical benefit of the latter approach is not well understood yet is important to guide the prescriptive usage of machine learning. In this paper, we dissect the performance comparisons between these approaches in terms of the amount of model misspecification. In particular, we show how the integrated approach offers a ``universal double benefit'' on the top two dominating terms of regret when the underlying model is misspecified, while the traditional approach can be advantageous when the model is nearly well-specified. Our comparison is powered by finite-sample tail regret bounds that are derived via new higher-order expansions of regrets and the leveraging of a recent Berry-Esseen theorem.
Learning Automata of PLCs in Production Lines Using LSTM
Authors: Iyas AlTalafha, Yaprak Yalcin, Gulcihan Ozdemir
Date: 2025-03-01 00:00:00

Production Lines and Conveying Systems are the staple of modern manufacturing processes. Manufacturing efficiency is directly related to the efficiency of the means of production and conveying. Modelling in the industrial context has always been a challenge due to the complexity that comes along with modern manufacturing standards. Long Short-Term Memory is a pattern recognition Recurrent Neural Network, that is utilised on a simple pneumatic conveying system which transports a wooden block around the system. Recurrent Neural Networks (RNNs) capture temporal dependencies through feedback loops, while Long Short-Term Memory (LSTM) networks enhance this capability by using gated mechanisms to effectively learn long-term dependencies. Conveying systems, representing a major component of production lines, are chosen as the target to model to present an approach applicable in large scale production lines in a simpler format. In this paper data from sensors are used to train the LSTM in order to output an Automaton that models the conveying system. The automaton obtained from the proposed LSTM approach is compared with the automaton obtained from OTALA. The resultant LSTM automaton proves to be a more accurate representation of the conveying system, unlike the one obtained from OTALA.
The Hidden Cost of Waiting for Accurate Predictions
Authors: Ali Shirali, Ariel Procaccia, Rediet Abebe
Date: 2025-03-01 00:00:00

Algorithmic predictions are increasingly informing societal resource allocations by identifying individuals for targeting. Policymakers often build these systems with the assumption that by gathering more observations on individuals, they can improve predictive accuracy and, consequently, allocation efficiency. An overlooked yet consequential aspect of prediction-driven allocations is that of timing. The planner has to trade off relying on earlier and potentially noisier predictions to intervene before individuals experience undesirable outcomes, or they may wait to gather more observations to make more precise allocations. We examine this tension using a simple mathematical model, where the planner collects observations on individuals to improve predictions over time. We analyze both the ranking induced by these predictions and optimal resource allocation. We show that though individual prediction accuracy improves over time, counter-intuitively, the average ranking loss can worsen. As a result, the planner's ability to improve social welfare can decline. We identify inequality as a driving factor behind this phenomenon. Our findings provide a nuanced perspective and challenge the conventional wisdom that it is preferable to wait for more accurate predictions to ensure the most efficient allocations.
Discrete Codebook World Models for Continuous Control
Authors: Aidan Scannell, Mohammadreza Nakhaei, Kalle Kujanpää, Yi Zhao, Kevin Sebastian Luck, Arno Solin, Joni Pajarinen
Date: 2025-03-01 00:00:00
Tasks: continuous-control, Continuous Control, Model Predictive Control, Reinforcement Learning (RL)

In reinforcement learning (RL), world models serve as internal simulators, enabling agents to predict environment dynamics and future outcomes in order to make informed decisions. While previous approaches leveraging discrete latent spaces, such as DreamerV3, have demonstrated strong performance in discrete action settings and visual control tasks, their comparative performance in state-based continuous control remains underexplored. In contrast, methods with continuous latent spaces, such as TD-MPC2, have shown notable success in state-based continuous control benchmarks. In this paper, we demonstrate that modeling discrete latent states has benefits over continuous latent states and that discrete codebook encodings are more effective representations for continuous control, compared to alternative encodings, such as one-hot and label-based encodings. Based on these insights, we introduce DCWM: Discrete Codebook World Model, a self-supervised world model with a discrete and stochastic latent space, where latent states are codes from a codebook. We combine DCWM with decision-time planning to get our model-based RL algorithm, named DC-MPC: Discrete Codebook Model Predictive Control, which performs competitively against recent state-of-the-art algorithms, including TD-MPC2 and DreamerV3, on continuous control benchmarks. See our project website www.aidanscannell.com/dcmpc.
The Role, Trends, and Applications of Machine Learning in Undersea Communication: A Bangladesh Perspective
Authors: Yousuf Islam, Sumon Chandra Das, Md. Jalal Uddin Chowdhury
Date: 2025-03-01 00:00:00
Tasks: Disaster Response

The rapid evolution of machine learning (ML) has brought about groundbreaking developments in numerous industries, not the least of which is in the area of undersea communication. This domain is critical for applications like ocean exploration, environmental monitoring, resource management, and national security. Bangladesh, a maritime nation with abundant resources in the Bay of Bengal, can harness the immense potential of ML to tackle the unprecedented challenges associated with underwater communication. Beyond that, environmental conditions are unique to the region: in addition to signal attenuation, multipath propagation, noise interference, and limited bandwidth. In this study, we address the necessity to bring ML into communication via undersea; it investigates the latest technologies under the domain of ML in that respect, such as deep learning and reinforcement learning, especially concentrating on Bangladesh scenarios in the sense of implementation. This paper offers a contextualized regional perspective by incorporating region-specific needs, case studies, and recent research to propose a roadmap for deploying ML-driven solutions to improve safety at sea, promote sustainable resource use, and enhance disaster response systems. This research ultimately highlights the promise of ML-powered solutions for transforming undersea communication, leading to more efficient and cost-effective technologies that subsequently contribute to both economic growth and environmental sustainability.
Transformer Meets Twicing: Harnessing Unattended Residual Information
Authors: Laziz Abdullaev, Tan Nguyen
Date: 2025-03-02 00:00:00
Tasks: Adversarial Robustness, image-classification, Image Classification, Language Modeling, Language Modelling

Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data patterns, it has been observed that the representational capacity of the attention matrix degrades significantly across transformer layers, thereby hurting its overall performance. In this work, we leverage the connection between self-attention computations and low-pass non-local means (NLM) smoothing filters and propose the Twicing Attention, a novel attention mechanism that uses kernel twicing procedure in nonparametric regression to alleviate the low-pass behavior of associated NLM smoothing with compelling theoretical guarantees and enhanced adversarial robustness. This approach enables the extraction and reuse of meaningful information retained in the residuals following the imperfect smoothing operation at each layer. Our proposed method offers two key advantages over standard self-attention: 1) a provably slower decay of representational capacity and 2) improved robustness and accuracy across various data modalities and tasks. We empirically demonstrate the performance gains of our model over baseline transformers on multiple tasks and benchmarks, including image classification and language modeling, on both clean and corrupted data.
Proteina: Scaling Flow-based Protein Structure Generative Models
Authors: Tomas Geffner, Kieran Didi, Zuobai Zhang, Danny Reidenbach, Zhonglin Cao, Jason Yim, Mario Geiger, Christian Dallago, Emine Kucukbenli, Arash Vahdat, Karsten Kreis
Date: 2025-03-02 00:00:00
Tasks: Protein Design

Recently, diffusion- and flow-based generative models of protein structures have emerged as a powerful tool for de novo protein design. Here, we develop Proteina, a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture with up to 5x as many parameters as previous models. To meaningfully quantify performance, we introduce a new set of metrics that directly measure the distributional similarity of generated proteins with reference sets, complementing existing metrics. We further explore scaling training data to millions of synthetic protein structures and explore improved training and sampling recipes adapted to protein backbone generation. This includes fine-tuning strategies like LoRA for protein backbones, new guidance methods like classifier-free guidance and autoguidance for protein backbones, and new adjusted training objectives. Proteina achieves state-of-the-art performance on de novo protein backbone design and produces diverse and designable proteins at unprecedented length, up to 800 residues. The hierarchical conditioning offers novel control, enabling high-level secondary-structure guidance as well as low-level fold-specific generation.
Re-Imagining Multimodal Instruction Tuning: A Representation View
Authors: Yiyang Liu, James Chenhao Liang, Ruixiang Tang, Yugyung Lee, Majid Rabbani, Sohail Dianat, Raghuveer Rao, Lifu Huang, Dongfang Liu, Qifan Wang, Cheng Han
Date: 2025-03-02 00:00:00
Tasks: Instruction Following, MME, parameter-efficient fine-tuning, Zero-shot Generalization

Multimodal instruction tuning has proven to be an effective strategy for achieving zero-shot generalization by fine-tuning pre-trained Large Multimodal Models (LMMs) with instruction-following data. However, as the scale of LMMs continues to grow, fully fine-tuning these models has become highly parameter-intensive. Although Parameter-Efficient Fine-Tuning (PEFT) methods have been introduced to reduce the number of tunable parameters, a significant performance gap remains compared to full fine-tuning. Furthermore, existing PEFT approaches are often highly parameterized, making them difficult to interpret and control. In light of this, we introduce Multimodal Representation Tuning (MRT), a novel approach that focuses on directly editing semantically rich multimodal representations to achieve strong performance and provide intuitive control over LMMs. Empirical results show that our method surpasses current state-of-the-art baselines with significant performance gains (e.g., 1580.40 MME score) while requiring substantially fewer tunable parameters (e.g., 0.03% parameters). Additionally, we conduct experiments on editing instrumental tokens within multimodal representations, demonstrating that direct manipulation of these representations enables simple yet effective control over network behavior.
Riemann Tensor Neural Networks: Learning Conservative Systems with Physics-Constrained Networks
Authors: Anas Jnini, Lorenzo Breschi, Flavio Vella
Date: 2025-03-02 00:00:00
Tasks: Inductive Bias

Divergence-free symmetric tensors (DFSTs) are fundamental in continuum mechanics, encoding conservation laws such as mass and momentum conservation. We introduce Riemann Tensor Neural Networks (RTNNs), a novel neural architecture that inherently satisfies the DFST condition to machine precision, providing a strong inductive bias for enforcing these conservation laws. We prove that RTNNs can approximate any sufficiently smooth DFST with arbitrary precision and demonstrate their effectiveness as surrogates for conservative PDEs, achieving improved accuracy across benchmarks. This work is the first to use DFSTs as an inductive bias in neural PDE surrogates and to explicitly enforce the conservation of both mass and momentum within a physics-constrained neural architecture.
Toward Stable and Consistent Evaluation Results: A New Methodology for Base Model Evaluation
Authors: Hongzhi Luan, Changxin Tian, ZhaoXin Huan, Xiaolu Zhang, Kunlong Chen, Zhiqiang Zhang, Jun Zhou
Date: 2025-03-02 00:00:00
Tasks: Data Ablation

This paper poses two critical issues in evaluating base models (without post-training): (1) Unstable evaluation during training: in the early stages of pre-training, the models lack the capability to answer questions as required, leading to unstable evaluation results. This instability makes it difficult to provide solid conclusions to guide the training, especially for key experiments such as data ablation and scaling law. (2) Inconsistency between base and instruct models: base models generally exhibit poorer evaluation performance compared to corresponding instruct models. This gap poses a challenge for assessing whether a base model with better evaluation can truly lead to a better instruct model. To address these issues, we propose Base model Oriented Systematic Evaluation (BOSE), a method specifically designed to optimize the evaluation of base models. Specifically, BOSE introduces two key innovations: In-Context Light-instruction Prompt (ICLiP) for open-ended tasks and Blank-ppl for multi-choice tasks with candidate options, which transforms the standard perplexity (ppl) metric into a fill-in-the-blank format to mitigate early-stage evaluation fluctuations. Furthermore, we are the first to propose Kendall's rank correlation to quantitatively measure the evaluation stability and consistency. Experimental results demonstrate that BOSE significantly enhances both the stability of evaluations during pre-training and the consistency between base and instruct models, thereby providing more reliable guidance for the LLMs' training.
A Transfer Framework for Enhancing Temporal Graph Learning in Data-Scarce Settings
Authors: Sidharth Agarwal, Tanishq Dubey, Shubham Gupta, Srikanta Bedathur
Date: 2025-03-02 00:00:00
Tasks: Graph Learning, Recommendation Systems, Transfer Learning

Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future connections is a key task in applications such as recommendation systems. Temporal Graph Neural Networks (TGNNs) have achieved strong results for such predictive tasks but typically require extensive training data, which is often limited in real-world scenarios. One approach to mitigating data scarcity is leveraging pre-trained models from related datasets. However, direct knowledge transfer between TGNNs is challenging due to their reliance on node-specific memory structures, making them inherently difficult to adapt across datasets. To address this, we introduce a novel transfer approach that disentangles node representations from their associated features through a structured bipartite encoding mechanism. This decoupling enables more effective transfer of memory components and other learned inductive patterns from one dataset to another. Empirical evaluations on real-world benchmarks demonstrate that our method significantly enhances TGNN performance in low-data regimes, outperforming non-transfer baselines by up to 56\% and surpassing existing transfer strategies by 36\%
FACROC: a fairness measure for FAir Clustering through ROC curves
Authors: Tai Le Quy, Long Le Thanh, Lan Luong Thi Hong, Frank Hopfgartner
Date: 2025-03-02 00:00:00
Tasks: Attribute, Clustering, Fairness

Fair clustering has attracted remarkable attention from the research community. Many fairness measures for clustering have been proposed; however, they do not take into account the clustering quality w.r.t. the values of the protected attribute. In this paper, we introduce a new visual-based fairness measure for fair clustering through ROC curves, namely FACROC. This fairness measure employs AUCC as a measure of clustering quality and then computes the difference in the corresponding ROC curves for each value of the protected attribute. Experimental results on several popular datasets for fairness-aware machine learning and well-known (fair) clustering models show that FACROC is a beneficial method for visually evaluating the fairness of clustering models.
Hierarchical graph sampling based minibatch learning with chain preservation and variance reduction
Authors: Qia Hu, Bo Jiao
Date: 2025-03-02 00:00:00
Tasks: Graph Sampling, Node Classification

Graph sampling based Graph Convolutional Networks (GCNs) decouple the sampling from the forward and backward propagation during minibatch training, which exhibit good scalability in terms of layer depth and graph size. We propose HIS_GCNs, a hierarchical importance graph sampling based learning method. By constructing minibatches using sampled subgraphs, HIS_GCNs gives attention to the importance of both core and periphery nodes/edges in a scale-free training graph. Specifically, it preserves the centrum of the core to most minibatches, which maintains connectivity between periphery nodes, and samples periphery edges without core node interference, in order to keep more long chains composed entirely of low-degree nodes in the same minibatch. HIS_GCNs can maximize the discrete Ricci curvature (i.e., Ollivier-Ricci curvatures) of the edges in a subgraph that enables the preservation of important chains for information propagation, and can achieve a low node embedding variance and a high convergence speed. Diverse experiments on Graph Neural Networks (GNNs) with node classification tasks confirm superior performance of HIS_GCNs in both accuracy and training time. Open sourced code (https://github.com/HuQiaCHN/HIS-GCN).
Improve Representation for Imbalanced Regression through Geometric Constraints
Authors: Zijian Dong, Yilei Wu, Chongyao Chen, Yingtian Zou, Yichi Zhang, Juan Helen Zhou
Date: 2025-03-02 00:00:00
Proceeding: CVPR 2025 1
Tasks: Operator learning, regression, Representation Learning

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.
Patch-wise Structural Loss for Time Series Forecasting
Authors: Dilfira Kudrat, Zongxia Xie, Yanru Sun, Tianyu Jia, QinGhua Hu
Date: 2025-03-02 00:00:00
Tasks: Time Series, Time Series Forecasting

Time-series forecasting has gained significant attention in machine learning due to its crucial role in various domains. However, most existing forecasting models rely heavily on point-wise loss functions like Mean Square Error, which treat each time step independently and neglect the structural dependencies inherent in time series data, making it challenging to capture complex temporal patterns accurately. To address these challenges, we propose a novel Patch-wise Structural (PS) loss, designed to enhance structural alignment by comparing time series at the patch level. Through leveraging local statistical properties, such as correlation, variance, and mean, PS loss captures nuanced structural discrepancies overlooked by traditional point-wise losses. Furthermore, it integrates seamlessly with point-wise loss, simultaneously addressing local structural inconsistencies and individual time-step errors. PS loss establishes a novel benchmark for accurately modeling complex time series data and provides a new perspective on time series loss function design. Extensive experiments demonstrate that PS loss significantly improves the performance of state-of-the-art models across diverse real-world datasets.
Re-Evaluating the Impact of Unseen-Class Unlabeled Data on Semi-Supervised Learning Model
Authors: Rundong He, Yicong Dong, LanZhe Guo, Yilong Yin, Tailin Wu
Date: 2025-03-02 00:00:00

Semi-supervised learning (SSL) effectively leverages unlabeled data and has been proven successful across various fields. Current safe SSL methods believe that unseen classes in unlabeled data harm the performance of SSL models. However, previous methods for assessing the impact of unseen classes on SSL model performance are flawed. They fix the size of the unlabeled dataset and adjust the proportion of unseen classes within the unlabeled data to assess the impact. This process contravenes the principle of controlling variables. Adjusting the proportion of unseen classes in unlabeled data alters the proportion of seen classes, meaning the decreased classification performance of seen classes may not be due to an increase in unseen class samples in the unlabeled data, but rather a decrease in seen class samples. Thus, the prior flawed assessment standard that ``unseen classes in unlabeled data can damage SSL model performance" may not always hold true. This paper strictly adheres to the principle of controlling variables, maintaining the proportion of seen classes in unlabeled data while only changing the unseen classes across five critical dimensions, to investigate their impact on SSL models from global robustness and local robustness. Experiments demonstrate that unseen classes in unlabeled data do not necessarily impair the performance of SSL models; in fact, under certain conditions, unseen classes may even enhance them.
Riemannian Integrated Gradients: A Geometric View of Explainable AI
Authors: Federico Costanza, Lachlan Simpson
Date: 2025-03-02 00:00:00

We introduce Riemannian Integrated Gradients (RIG); an extension of Integrated Gradients (IG) to Riemannian manifolds. We demonstrate that RIG restricts to IG when the Riemannian manifold is Euclidean space. We show that feature attribution can be phrased as an eigenvalue problem where attributions correspond to eigenvalues of a symmetric endomorphism.