pwc-archive/papers-with-abstracts huggingface dataset:
Unsupervised Learning: Comparative Analysis of Clustering Techniques on High-Dimensional Data
Authors: Vishnu Vardhan Baligodugula, Fathi Amsaad
Date: 2025-03-29 00:00:00
Tasks: Clustering, Computational Efficiency, Dimensionality Reduction

This paper presents a comprehensive comparative analysis of prominent clustering algorithms K-means, DBSCAN, and Spectral Clustering on high-dimensional datasets. We introduce a novel evaluation framework that assesses clustering performance across multiple dimensionality reduction techniques (PCA, t-SNE, and UMAP) using diverse quantitative metrics. Experiments conducted on MNIST, Fashion-MNIST, and UCI HAR datasets reveal that preprocessing with UMAP consistently improves clustering quality across all algorithms, with Spectral Clustering demonstrating superior performance on complex manifold structures. Our findings show that algorithm selection should be guided by data characteristics, with Kmeans excelling in computational efficiency, DBSCAN in handling irregular clusters, and Spectral Clustering in capturing complex relationships. This research contributes a systematic approach for evaluating and selecting clustering techniques for high dimensional data applications.
Convolutional Neural Networks Can (Meta-)Learn the Same-Different Relation
Authors: Max Gupta, Sunayana Rane, R. Thomas McCoy, Thomas L. Griffiths
Date: 2025-03-29 00:00:00
Tasks: Meta-Learning, Relation

While convolutional neural networks (CNNs) have come to match and exceed human performance in many settings, the tasks these models optimize for are largely constrained to the level of individual objects, such as classification and captioning. Humans remain vastly superior to CNNs in visual tasks involving relations, including the ability to identify two objects as `same' or `different'. A number of studies have shown that while CNNs can be coaxed into learning the same-different relation in some settings, they tend to generalize poorly to other instances of this relation. In this work we show that the same CNN architectures that fail to generalize the same-different relation with conventional training are able to succeed when trained via meta-learning, which explicitly encourages abstraction and generalization across tasks.
A QUBO Framework for Team Formation
Authors: Karan Vombatkere, Evimaria Terzi, Theodoros Lappas
Date: 2025-03-29 00:00:00
Tasks: Transfer Learning

The team formation problem assumes a set of experts and a task, where each expert has a set of skills and the task requires some skills. The objective is to find a set of experts that maximizes coverage of the required skills while simultaneously minimizing the costs associated with the experts. Different definitions of cost have traditionally led to distinct problem formulations and algorithmic solutions. We introduce the unified TeamFormation formulation that captures all cost definitions for team formation problems that balance task coverage and expert cost. Specifically, we formulate three TeamFormation variants with different cost functions using quadratic unconstrained binary optimization (QUBO), and we evaluate two distinct general-purpose solution methods. We show that solutions based on the QUBO formulations of TeamFormation problems are at least as good as those produced by established baselines. Furthermore, we show that QUBO-based solutions leveraging graph neural networks can effectively learn representations of experts and skills to enable transfer learning, allowing node embeddings from one problem instance to be efficiently applied to another.
TRA: Better Length Generalisation with Threshold Relative Attention
Authors: Mattia Opper, Roland Fernandez, Paul Smolensky, Jianfeng Gao
Date: 2025-03-29 00:00:00
Tasks: Decoder

Transformers struggle with length generalisation, displaying poor performance even on basic tasks. We test whether these limitations can be explained through two key failures of the self-attention mechanism. The first is the inability to fully remove irrelevant information. The second is tied to position, even if the dot product between a key and query is highly negative (i.e. an irrelevant key) learned positional biases may unintentionally up-weight such information - dangerous when distances become out of distribution. Put together, these two failure cases lead to compounding generalisation difficulties. We test whether they can be mitigated through the combination of a) selective sparsity - completely removing irrelevant keys from the attention softmax and b) contextualised relative distance - distance is only considered as between the query and the keys that matter. We show how refactoring the attention mechanism with these two mitigations in place can substantially improve generalisation capabilities of decoder only transformers.
Graph ODEs and Beyond: A Comprehensive Survey on Integrating Differential Equations with Graph Neural Networks
Authors: Zewen Liu, Xiaoda Wang, Bohan Wang, Zijie Huang, Carl Yang, Wei Jin
Date: 2025-03-29 00:00:00
Tasks: Survey, Traffic Prediction

Graph Neural Networks (GNNs) and differential equations (DEs) are two rapidly advancing areas of research that have shown remarkable synergy in recent years. GNNs have emerged as powerful tools for learning on graph-structured data, while differential equations provide a principled framework for modeling continuous dynamics across time and space. The intersection of these fields has led to innovative approaches that leverage the strengths of both, enabling applications in physics-informed learning, spatiotemporal modeling, and scientific computing. This survey aims to provide a comprehensive overview of the burgeoning research at the intersection of GNNs and DEs. We will categorize existing methods, discuss their underlying principles, and highlight their applications across domains such as molecular modeling, traffic prediction, and epidemic spreading. Furthermore, we identify open challenges and outline future research directions to advance this interdisciplinary field. A comprehensive paper list is provided at https://github.com/Emory-Melody/Awesome-Graph-NDEs. This survey serves as a resource for researchers and practitioners seeking to understand and contribute to the fusion of GNNs and DEs
SupertonicTTS: Towards Highly Scalable and Efficient Text-to-Speech System
Authors: Hyeongju Kim, Jinhyeok Yang, Yechan Yu, Seunghun Ji, Jacob Morton, Frederik Bous, Joon Byun, Juheon Lee
Date: 2025-03-29 00:00:00
Tasks: Speech Synthesis, text-to-speech, Text to Speech

We present a novel text-to-speech (TTS) system, namely SupertonicTTS, for improved scalability and efficiency in speech synthesis. SupertonicTTS comprises three components: a speech autoencoder for continuous latent representation, a text-to-latent module leveraging flow-matching for text-to-latent mapping, and an utterance-level duration predictor. To enable a lightweight architecture, we employ a low-dimensional latent space, temporal compression of latents, and ConvNeXt blocks. We further simplify the TTS pipeline by operating directly on raw character-level text and employing cross-attention for text-speech alignment, thus eliminating the need for grapheme-to-phoneme (G2P) modules and external aligners. In addition, we introduce context-sharing batch expansion that accelerates loss convergence and stabilizes text-speech alignment. Experimental results demonstrate that SupertonicTTS achieves competitive performance while significantly reducing architectural complexity and computational overhead compared to contemporary TTS models. Audio samples demonstrating the capabilities of SupertonicTTS are available at: https://supertonictts.github.io/.
The geomagnetic storm and Kp prediction using Wasserstein transformer
Authors: Beibei Li
Date: 2025-03-29 00:00:00
Tasks: Time Series

The accurate forecasting of geomagnetic activity is important. In this work, we present a novel multimodal Transformer based framework for predicting the 3 days and 5 days planetary Kp index by integrating heterogeneous data sources, including satellite measurements, solar images, and KP time series. A key innovation is the incorporation of the Wasserstein distance into the transformer and the loss function to align the probability distributions across modalities. Comparative experiments with the NOAA model demonstrate performance, accurately capturing both the quiet and storm phases of geomagnetic activity. This study underscores the potential of integrating machine learning techniques with traditional models for improved real time forecasting.
Beyond Standard MoE: Mixture of Latent Experts for Resource-Efficient Language Models
Authors: Zehua Liu, Han Wu, Ruifeng She, Xiaojin Fu, Xiongwei Han, Tao Zhong, Mingxuan Yuan
Date: 2025-03-29 00:00:00
Tasks: Computational Efficiency, Mixture-of-Experts

Mixture of Experts (MoE) has emerged as a pivotal architectural paradigm for efficient scaling of Large Language Models (LLMs), operating through selective activation of parameter subsets for each input token. Nevertheless, conventional MoE architectures encounter substantial challenges, including excessive memory utilization and communication overhead during training and inference, primarily attributable to the proliferation of expert modules. In this paper, we introduce Mixture of Latent Experts (MoLE), a novel parameterization methodology that facilitates the mapping of specific experts into a shared latent space. Specifically, all expert operations are systematically decomposed into two principal components: a shared projection into a lower-dimensional latent space, followed by expert-specific transformations with significantly reduced parametric complexity. This factorized approach substantially diminishes parameter count and computational requirements. Beyond the pretraining implementation of the MoLE architecture, we also establish a rigorous mathematical framework for transforming pre-trained MoE models into the MoLE architecture, characterizing the sufficient conditions for optimal factorization and developing a systematic two-phase algorithm for this conversion process. Our comprehensive theoretical analysis demonstrates that MoLE significantly enhances computational efficiency across multiple dimensions while preserving model representational capacity. Empirical evaluations corroborate our theoretical findings, confirming that MoLE achieves performance comparable to standard MoE implementations while substantially reducing resource requirements.
Incremental Few-Shot Adaptation for Non-Prehensile Object Manipulation using Parallelizable Physics Simulators
Authors: Fabian Baumeister, Lukas Mack, Joerg Stueckler
Date: 2024-09-20 00:00:00
Tasks: Model Predictive Control

Few-shot adaptation is an important capability for intelligent robots that perform tasks in open-world settings such as everyday environments or flexible production. In this paper, we propose a novel approach for non-prehensile manipulation which incrementally adapts a physics-based dynamics model for model-predictive control (MPC). The model prediction is aligned with a few examples of robot-object interactions collected with the MPC. This is achieved by using a parallelizable rigid-body physics simulation as dynamic world model and sampling-based optimization of the model parameters. In turn, the optimized dynamics model can be used for MPC using efficient sampling-based optimization. We evaluate our few-shot adaptation approach in object pushing experiments in simulation and with a real robot.
Concorde: Fast and Accurate CPU Performance Modeling with Compositional Analytical-ML Fusion
Authors: Arash Nasr-Esfahany, Mohammad Alizadeh, Victor Lee, Hanna Alam, Brett W. Coon, David Culler, Vidushi Dadu, Martin Dixon, Henry M. Levy, Santosh Pandey, Parthasarathy Ranganathan, Amir Yazdanbakhsh
Date: 2025-03-29 00:00:00
Tasks: CPU

Cycle-level simulators such as gem5 are widely used in microarchitecture design, but they are prohibitively slow for large-scale design space explorations. We present Concorde, a new methodology for learning fast and accurate performance models of microarchitectures. Unlike existing simulators and learning approaches that emulate each instruction, Concorde predicts the behavior of a program based on compact performance distributions that capture the impact of different microarchitectural components. It derives these performance distributions using simple analytical models that estimate bounds on performance induced by each microarchitectural component, providing a simple yet rich representation of a program's performance characteristics across a large space of microarchitectural parameters. Experiments show that Concorde is more than five orders of magnitude faster than a reference cycle-level simulator, with about 2% average Cycles-Per-Instruction (CPI) prediction error across a range of SPEC, open-source, and proprietary benchmarks. This enables rapid design-space exploration and performance sensitivity analyses that are currently infeasible, e.g., in about an hour, we conducted a first-of-its-kind fine-grained performance attribution to different microarchitectural components across a diverse set of programs, requiring nearly 150 million CPI evaluations.
TRACE: Intra-visit Clinical Event Nowcasting via Effective Patient Trajectory Encoding
Authors: Yuyang Liang, Yankai Chen, Yixiang Fang, Laks V. S. Lakshmanan, Chenhao Ma
Date: 2025-03-29 00:00:00
Tasks: Denoising

Electronic Health Records (EHR) have become a valuable resource for a wide range of predictive tasks in healthcare. However, existing approaches have largely focused on inter-visit event predictions, overlooking the importance of intra-visit nowcasting, which provides prompt clinical insights during an ongoing patient visit. To address this gap, we introduce the task of laboratory measurement prediction within a hospital visit. We study the laboratory data that, however, remained underexplored in previous work. We propose TRACE, a Transformer-based model designed for clinical event nowcasting by encoding patient trajectories. TRACE effectively handles long sequences and captures temporal dependencies through a novel timestamp embedding that integrates decay properties and periodic patterns of data. Additionally, we introduce a smoothed mask for denoising, improving the robustness of the model. Experiments on two large-scale electronic health record datasets demonstrate that the proposed model significantly outperforms previous methods, highlighting its potential for improving patient care through more accurate laboratory measurement nowcasting. The code is available at https://github.com/Amehi/TRACE.
Unsupervised Anomaly Detection in Multivariate Time Series across Heterogeneous Domains
Authors: Vincent Jacob, Yanlei Diao
Date: 2025-03-29 00:00:00
Tasks: Anomaly Detection, Benchmarking, Domain Generalization, Time Series, Unsupervised Anomaly Detection

The widespread adoption of digital services, along with the scale and complexity at which they operate, has made incidents in IT operations increasingly more likely, diverse, and impactful. This has led to the rapid development of a central aspect of "Artificial Intelligence for IT Operations" (AIOps), focusing on detecting anomalies in vast amounts of multivariate time series data generated by service entities. In this paper, we begin by introducing a unifying framework for benchmarking unsupervised anomaly detection (AD) methods, and highlight the problem of shifts in normal behaviors that can occur in practical AIOps scenarios. To tackle anomaly detection under domain shift, we then cast the problem in the framework of domain generalization and propose a novel approach, Domain-Invariant VAE for Anomaly Detection (DIVAD), to learn domain-invariant representations for unsupervised anomaly detection. Our evaluation results using the Exathlon benchmark show that the two main DIVAD variants significantly outperform the best unsupervised AD method in maximum performance, with 20% and 15% improvements in maximum peak F1-scores, respectively. Evaluation using the Application Server Dataset further demonstrates the broader applicability of our domain generalization methods.
VLM-C4L: Continual Core Dataset Learning with Corner Case Optimization via Vision-Language Models for Autonomous Driving
Authors: Haibo Hu, Jiacheng Zuo, Yang Lou, Yufei Cui, JianPing Wang, Nan Guan, Jin Wang, Yung-Hui Li, Chun Jason Xue
Date: 2025-03-29 00:00:00
Tasks: Autonomous Driving, Continual Learning

With the widespread adoption and deployment of autonomous driving, handling complex environments has become an unavoidable challenge. Due to the scarcity and diversity of extreme scenario datasets, current autonomous driving models struggle to effectively manage corner cases. This limitation poses a significant safety risk, according to the National Highway Traffic Safety Administration (NHTSA), autonomous vehicle systems have been involved in hundreds of reported crashes annually in the United States, occurred in corner cases like sun glare and fog, which caused a few fatal accident. Furthermore, in order to consistently maintain a robust and reliable autonomous driving system, it is essential for models not only to perform well on routine scenarios but also to adapt to newly emerging scenarios, especially those corner cases that deviate from the norm. This requires a learning mechanism that incrementally integrates new knowledge without degrading previously acquired capabilities. However, to the best of our knowledge, no existing continual learning methods have been proposed to ensure consistent and scalable corner case learning in autonomous driving. To address these limitations, we propose VLM-C4L, a continual learning framework that introduces Vision-Language Models (VLMs) to dynamically optimize and enhance corner case datasets, and VLM-C4L combines VLM-guided high-quality data extraction with a core data replay strategy, enabling the model to incrementally learn from diverse corner cases while preserving performance on previously routine scenarios, thus ensuring long-term stability and adaptability in real-world autonomous driving. We evaluate VLM-C4L on large-scale real-world autonomous driving datasets, including Waymo and the corner case dataset CODA.
Function Fitting Based on Kolmogorov-Arnold Theorem and Kernel Functions
Authors: Jianpeng Liu, Qizhi Pan
Date: 2025-03-29 00:00:00
Tasks: Kolmogorov-Arnold Networks

This paper proposes a unified theoretical framework based on the Kolmogorov-Arnold representation theorem and kernel methods. By analyzing the mathematical relationship among kernels, B-spline basis functions in Kolmogorov-Arnold Networks (KANs) and the inner product operation in self-attention mechanisms, we establish a kernel-based feature fitting framework that unifies the two models as linear combinations of kernel functions. Under this framework, we propose a low-rank Pseudo-Multi-Head Self-Attention module (Pseudo-MHSA), which reduces the parameter count of traditional MHSA by nearly 50\%. Furthermore, we design a Gaussian kernel multi-head self-attention variant (Gaussian-MHSA) to validate the effectiveness of nonlinear kernel functions in feature extraction. Experiments on the CIFAR-10 dataset demonstrate that Pseudo-MHSA model achieves performance comparable to the ViT model of the same dimensionality under the MAE framework and visualization analysis reveals their similarity of multi-head distribution patterns. Our code is publicly available.
Engineering Microbial Symbiosis for Mars Habitability
Authors: Randall R. Correll, Simon P. Worden
Date: 2025-03-29 00:00:00
Tasks: Ingenuity

The colonization of Mars presents extraordinary challenges, including radiation exposure, low atmospheric pressure, and toxic regolith. Recent advancements in synthetic biology and genetic engineering offer unprecedented opportunities to address these obstacles by utilizing terrestrial extremophiles and engineered organisms. This paper examines the potential for creating symbiotic relationships between terrestrial microbes and hypothetical Martian life forms, should they exist, to support a sustainable human presence on Mars. Inspired by natural examples of endosymbiosis, such as mitochondria and chloroplasts, we propose methods to engineer life forms capable of enduring Martian conditions. Key components include experimental designs, laboratory simulations, and bioengineering approaches essential to this endeavor. The ethical, political, and technological challenges of introducing engineered life to Mars are critically evaluated, with an emphasis on international collaboration and robust planetary protection policies. This research underscores engineered symbiosis as a transformative strategy for enabling life to adapt and thrive on Mars while advancing humanity's aspirations for interplanetary habitation and exploration. By addressing these challenges, this work highlights a path toward sustainable life on Mars, reflecting both scientific ingenuity and ethical stewardship.
Buyer-Initiated Auction Mechanism for Data Redemption in Machine Unlearning
Authors: Bin Han, Di Feng, Jie Wang, Hans D. Schotten
Date: 2025-03-29 00:00:00
Tasks: Machine Unlearning

The rapid growth of artificial intelligence (AI) has raised privacy concerns over user data, leading to regulations like the General Data Protection Regulation (GDPR) and the California Consumer Privacy Act (CCPA). With the essential toolbox provided by machine unlearning, AI service providers are now able to remove user data from their trained models as well as the training datasets, so as to comply with such regulations. However, extensive data redemption can be costly and degrade model accuracy. To balance the cost of unlearning and the privacy protection, we propose a buyer-initiated auction mechanism for data redemption, enabling the service provider to purchase data from willing users with appropriate compensation. This approach does not require the server to have any a priori knowledge about the users' privacy preference, and provides an efficient solution for maximizing the social welfare in the investigated problem.
Multimodal machine learning with large language embedding model for polymer property prediction
Authors: Tianren Zhang, Dai-Bei Yang
Date: 2025-03-29 00:00:00
Tasks: Property Prediction

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including materials science. To leverage the domain knowledge embedded within these models, we propose a simple yet effective multimodal architecture, PolyLLMem, which integrates text embeddings generated by Llama 3 with molecular structure embeddings derived from Uni-Mol, for polymer properties prediction tasks. In our model, Low-rank adaptation (LoRA) layers were also incorporated during the property prediction tasks to refine the embeddings based on our limited polymer dataset, thereby enhancing their chemical relevance for polymer SMILES representation. This balanced fusion of fine-tuned textual and structural information enables PolyLLMem to accurately predict a variety of polymer properties despite the scarcity of training data. Its performance is comparable to, and in some cases exceeds, that of graph-based models, as well as transformer-based models that typically require pretraining on millions of polymer samples. These findings demonstrate that LLM, such as Llama, can effectively capture chemical information encoded in polymer PSMILES, and underscore the efficacy of multimodal fusion of LLM embeddings and molecular structure embeddings in overcoming data scarcity and accelerating the discovery of advanced polymeric materials.