pwc-archive/papers-with-abstracts huggingface dataset:
Statistical QoS Provision in Business-Centric Networks
Authors: Chang Wu, Yuang Chen, Hancheng Lu
Date: 2024-08-28 00:00:00
Tasks: Deep Reinforcement Learning

More refined resource management and Quality of Service (QoS) provisioning is a critical goal of wireless communication technologies. In this paper, we propose a novel Business-Centric Network (BCN) aimed at enabling scalable QoS provisioning, based on a cross-layer framework that captures the relationship between application, transport parameters, and channels. We investigate both continuous flow and event-driven flow models, presenting key QoS metrics such as throughput, delay, and reliability. By jointly considering power and bandwidth allocation, transmission parameters, and AP network topology across layers, we optimize weighted resource efficiency with statistical QoS provisioning. To address the coupling among parameters, we propose a novel deep reinforcement learning (DRL) framework, which is Collaborative Optimization among Heterogeneous Actors with Experience Sharing (COHA-ES). Power and sub-channel (SC) Actors representing multiple APs are jointly optimized under the unified guidance of a common critic. Additionally, we introduce a novel multithreaded experience-sharing mechanism to accelerate training and enhance rewards. Extensive comparative experiments validate the effectiveness of our DRL framework in terms of convergence and efficiency. Moreover, comparative analyses demonstrate the comprehensive advantages of the BCN structure in enhancing both spectral and energy efficiency.
Grand canonical generative diffusion model for crystalline phases and grain boundaries
Authors: Bo Lei, Enze Chen, Hyuna Kwon, Tim Hsu, Babak Sadigh, Vincenzo Lordi, Timofey Frolov, Fei Zhou
Date: 2024-08-28 00:00:00

The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in generating even the simplest ordered crystalline structures. The problem is attributed to particles being trapped in local minima during the score-driven simulated annealing of the diffusion process, similar to the physical process of force-driven simulated annealing. We develop a solution, the grand canonical diffusion model, which adopts an alternative voxel-based representation with continuous rather than fixed number of particles. The method is applied towards generation of several common crystalline phases as well as the technologically important and challenging problem of grain boundary structures.
Exploring Selective Layer Fine-Tuning in Federated Learning
Authors: Yuchang Sun, Yuexiang Xie, Bolin Ding, Yaliang Li, Jun Zhang
Date: 2024-08-28 00:00:00
Tasks: Federated Learning, Privacy Preserving

Federated learning (FL) has emerged as a promising paradigm for fine-tuning foundation models using distributed data in a privacy-preserving manner. Under limited computational resources, clients often find it more practical to fine-tune a selected subset of layers, rather than the entire model, based on their task-specific data. In this study, we provide a thorough theoretical exploration of selective layer fine-tuning in FL, emphasizing a flexible approach that allows the clients to adjust their selected layers according to their local data and resources. We theoretically demonstrate that the layer selection strategy has a significant impact on model convergence in two critical aspects: the importance of selected layers and the heterogeneous choices across clients. Drawing from these insights, we further propose a strategic layer selection method that utilizes local gradients and regulates layer selections across clients. The extensive experiments on both image and text datasets demonstrate the effectiveness of the proposed strategy compared with several baselines, highlighting its advances in identifying critical layers that adapt to the client heterogeneity and training dynamics in FL.
Skills Regularized Task Decomposition for Multi-task Offline Reinforcement Learning
Authors: Minjong Yoo, Sangwoo Cho, Honguk Woo
Date: 2024-08-28 00:00:00
Tasks: Drone navigation, Offline RL, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Reinforcement learning (RL) with diverse offline datasets can have the advantage of leveraging the relation of multiple tasks and the common skills learned across those tasks, hence allowing us to deal with real-world complex problems efficiently in a data-driven way. In offline RL where only offline data is used and online interaction with the environment is restricted, it is yet difficult to achieve the optimal policy for multiple tasks, especially when the data quality varies for the tasks. In this paper, we present a skill-based multi-task RL technique on heterogeneous datasets that are generated by behavior policies of different quality. To learn the shareable knowledge across those datasets effectively, we employ a task decomposition method for which common skills are jointly learned and used as guidance to reformulate a task in shared and achievable subtasks. In this joint learning, we use Wasserstein auto-encoder (WAE) to represent both skills and tasks on the same latent space and use the quality-weighted loss as a regularization term to induce tasks to be decomposed into subtasks that are more consistent with high-quality skills than others. To improve the performance of offline RL agents learned on the latent space, we also augment datasets with imaginary trajectories relevant to high-quality skills for each task. Through experiments, we show that our multi-task offline RL approach is robust to the mixed configurations of different-quality datasets and it outperforms other state-of-the-art algorithms for several robotic manipulation tasks and drone navigation tasks.
VFLIP: A Backdoor Defense for Vertical Federated Learning via Identification and Purification
Authors: Yungi Cho, Woorim Han, Miseon Yu, Younghan Lee, Ho Bae, Yunheung Paek
Date: 2024-08-28 00:00:00
Tasks: Anomaly Detection, backdoor defense, Federated Learning, Vertical Federated Learning

Vertical Federated Learning (VFL) focuses on handling vertically partitioned data over FL participants. Recent studies have discovered a significant vulnerability in VFL to backdoor attacks which specifically target the distinct characteristics of VFL. Therefore, these attacks may neutralize existing defense mechanisms designed primarily for Horizontal Federated Learning (HFL) and deep neural networks. In this paper, we present the first backdoor defense, called VFLIP, specialized for VFL. VFLIP employs the identification and purification techniques that operate at the inference stage, consequently improving the robustness against backdoor attacks to a great extent. VFLIP first identifies backdoor-triggered embeddings by adopting a participant-wise anomaly detection approach. Subsequently, VFLIP conducts purification which removes the embeddings identified as malicious and reconstructs all the embeddings based on the remaining embeddings. We conduct extensive experiments on CIFAR10, CINIC10, Imagenette, NUS-WIDE, and BankMarketing to demonstrate that VFLIP can effectively mitigate backdoor attacks in VFL. https://github.com/blingcho/VFLIP-esorics24
Bayesian optimization of atomic structures with prior probabilities from universal interatomic potentials
Authors: Peder Lyngby, Casper Larsen, Karsten Wedel Jacobsen
Date: 2024-08-28 00:00:00
Tasks: Bayesian Optimization, Gaussian Processes

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast potential energy surface, especially in high-dimensional spaces with numerous local minima. Recent advancements in machine learning-driven surrogate models offer a promising avenue for alleviating this computational burden. In this study, we propose a novel approach that combines the strengths of universal machine learning potentials with a Bayesian approach using Gaussian processes. By using the machine learning potentials as priors for the Gaussian process, the Gaussian process has to learn only the difference between the machine learning potential and the target energy surface calculated for example by density functional theory. This turns out to improve the speed by which the global optimal structure is identified across diverse systems for a well-behaved machine learning potential. The approach is tested on periodic bulk materials, surface structures, and a cluster.
Boosting Lossless Speculative Decoding via Feature Sampling and Partial Alignment Distillation
Authors: Lujun Gui, Bin Xiao, Lei Su, WeiPeng Chen
Date: 2024-08-28 00:00:00
Tasks: Knowledge Distillation, Language Modelling, Large Language Model, Mathematical Reasoning, Question Answering, Retrieval-augmented Generation

Lossless speculative decoding accelerates target large language model (LLM) inference by employing a lightweight draft model for generating tree-structured candidates, which are subsequently verified in parallel by the target LLM. Currently, effective approaches leverage feature-level rather than token-level autoregression within the draft model to facilitate more straightforward predictions and enhanced knowledge distillation. In this paper, we reassess these approaches and propose FSPAD (Feature Sampling and Partial Alignment Distillation for Lossless Speculative Decoding), which introduces two straightforward and effective components within the existing framework to boost lossless speculative decoding. Firstly, FSPAD utilizes token embeddings to sample features of the target LLM in high-dimensional space before feeding them into the draft model, due to the inherent uncertainty of the features preventing the draft model from obtaining the specific token output by the target LLM. Secondly, FSPAD introduces partial alignment distillation to weaken the draft model's connection between features and logits, aiming to reduce the conflict between feature alignment and logit confidence during training. Our experiments include both greedy and non-greedy decoding on the largest and smallest models from the Vicuna and LLaMA3-Instruct series, as well as tasks in multi-turn conversation, translation, summarization, question answering, mathematical reasoning, and retrieval-augmented generation. The results show that FSPAD outperforms the state-of-the-art method across all the aforementioned tasks and target LLMs.
A Novel Denoising Technique and Deep Learning Based Hybrid Wind Speed Forecasting Model for Variable Terrain Conditions
Authors: Sourav Malakar, Saptarsi Goswami, Amlan Chakrabarti, Bhaswati Ganguli
Date: 2024-08-28 00:00:00
Tasks: Denoising, Dimensionality Reduction, feature selection

Wind flow can be highly unpredictable and can suffer substantial fluctuations in speed and direction due to the shape and height of hills, mountains, and valleys, making accurate wind speed (WS) forecasting essential in complex terrain. This paper presents a novel and adaptive model for short-term forecasting of WS. The paper's key contributions are as follows: (a) The Partial Auto Correlation Function (PACF) is utilised to minimise the dimension of the set of Intrinsic Mode Functions (IMF), hence reducing training time; (b) The sample entropy (SampEn) was used to calculate the complexity of the reduced set of IMFs. The proposed technique is adaptive since a specific Deep Learning (DL) model-feature combination was chosen based on complexity; (c) A novel bidirectional feature-LSTM framework for complicated IMFs has been suggested, resulting in improved forecasting accuracy; (d) The proposed model shows superior forecasting performance compared to the persistence, hybrid, Ensemble empirical mode decomposition (EEMD), and Variational Mode Decomposition (VMD)-based deep learning models. It has achieved the lowest variance in terms of forecasting accuracy between simple and complex terrain conditions 0.70%. Dimension reduction of IMF's and complexity-based model-feature selection helps reduce the training time by 68.77% and improve forecasting quality by 58.58% on average.
SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding
Authors: Sihang Li, Jin Huang, Jiaxi Zhuang, Yaorui Shi, Xiaochen Cai, Mingjun Xu, Xiang Wang, Linfeng Zhang, Guolin Ke, Hengxing Cai
Date: 2024-08-28 00:00:00
Tasks: Instruction Following, scientific discovery

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.
PersonalizedUS: Interpretable Breast Cancer Risk Assessment with Local Coverage Uncertainty Quantification
Authors: Alek Fröhlich, Thiago Ramos, Gustavo Cabello, Isabela Buzatto, Rafael Izbicki, Daniel Tiezzi
Date: 2024-08-28 00:00:00
Tasks: Conformal Prediction, Decision Making, Interpretable Machine Learning, Specificity, Uncertainty Quantification

Correctly assessing the malignancy of breast lesions identified during ultrasound examinations is crucial for effective clinical decision-making. However, the current "golden standard" relies on manual BI-RADS scoring by clinicians, often leading to unnecessary biopsies and a significant mental health burden on patients and their families. In this paper, we introduce PersonalizedUS, an interpretable machine learning system that leverages recent advances in conformal prediction to provide precise and personalized risk estimates with local coverage guarantees and sensitivity, specificity, and predictive values above 0.9 across various threshold levels. In particular, we identify meaningful lesion subgroups where distribution-free, model-agnostic conditional coverage holds, with approximately 90% of our prediction sets containing only the ground truth in most lesion subgroups, thus explicitly characterizing for which patients the model is most suitably applied. Moreover, we make available a curated tabular dataset of 1936 biopsied breast lesions from a recent observational multicenter study and benchmark the performance of several state-of-the-art learning algorithms. We also report a successful case study of the deployed system in the same multicenter context. Concrete clinical benefits include up to a 65% reduction in requested biopsies among BI-RADS 4a and 4b lesions, with minimal to no missed cancer cases.
Certified Causal Defense with Generalizable Robustness
Authors: Yiran Qiao, Yu Yin, Chen Chen, Jing Ma
Date: 2024-08-28 00:00:00
Tasks: Adversarial Defense

While machine learning models have proven effective across various scenarios, it is widely acknowledged that many models are vulnerable to adversarial attacks. Recently, there have emerged numerous efforts in adversarial defense. Among them, certified defense is well known for its theoretical guarantees against arbitrary adversarial perturbations on input within a certain range (e.g., $l_2$ ball). However, most existing works in this line struggle to generalize their certified robustness in other data domains with distribution shifts. This issue is rooted in the difficulty of eliminating the negative impact of spurious correlations on robustness in different domains. To address this problem, in this work, we propose a novel certified defense framework GLEAN, which incorporates a causal perspective into the generalization problem in certified defense. More specifically, our framework integrates a certifiable causal factor learning component to disentangle the causal relations and spurious correlations between input and label, and thereby exclude the negative effect of spurious correlations on defense. On top of that, we design a causally certified defense strategy to handle adversarial attacks on latent causal factors. In this way, our framework is not only robust against malicious noises on data in the training distribution but also can generalize its robustness across domains with distribution shifts. Extensive experiments on benchmark datasets validate the superiority of our framework in certified robustness generalization in different data domains. Code is available in the supplementary materials.
Graph Attention Inference of Network Topology in Multi-Agent Systems
Authors: Akshay Kolli, Reza Azadeh, Kshitj Jerath
Date: 2024-08-27 00:00:00
Tasks: Graph Attention, Link Prediction

Accurately identifying the underlying graph structures of multi-agent systems remains a difficult challenge. Our work introduces a novel machine learning-based solution that leverages the attention mechanism to predict future states of multi-agent systems by learning node representations. The graph structure is then inferred from the strength of the attention values. This approach is applied to both linear consensus dynamics and the non-linear dynamics of Kuramoto oscillators, resulting in implicit learning of the graph by learning good agent representations. Our results demonstrate that the presented data-driven graph attention machine learning model can identify the network topology in multi-agent systems, even when the underlying dynamic model is not known, as evidenced by the F1 scores achieved in the link prediction.
Understanding GNNs for Boolean Satisfiability through Approximation Algorithms
Authors: Jan Hůla, David Mojžíšek, Mikoláš Janota
Date: 2024-08-27 00:00:00
Tasks: Decision Making, Graph Neural Network

The paper deals with the interpretability of Graph Neural Networks in the context of Boolean Satisfiability. The goal is to demystify the internal workings of these models and provide insightful perspectives into their decision-making processes. This is done by uncovering connections to two approximation algorithms studied in the domain of Boolean Satisfiability: Belief Propagation and Semidefinite Programming Relaxations. Revealing these connections has empowered us to introduce a suite of impactful enhancements. The first significant enhancement is a curriculum training procedure, which incrementally increases the problem complexity in the training set, together with increasing the number of message passing iterations of the Graph Neural Network. We show that the curriculum, together with several other optimizations, reduces the training time by more than an order of magnitude compared to the baseline without the curriculum. Furthermore, we apply decimation and sampling of initial embeddings, which significantly increase the percentage of solved problems.
Implicit Geometry of Next-token Prediction: From Language Sparsity Patterns to Model Representations
Authors: Yize Zhao, Tina Behnia, Vala Vakilian, Christos Thrampoulidis
Date: 2024-08-27 00:00:00

Next-token prediction (NTP) over large text corpora has become the go-to paradigm to train large language models. Yet, it remains unclear how NTP influences the mapping of linguistic patterns to geometric properties of the resulting model representations. We frame training of large language models as soft-label classification over sparse probabilistic label vectors, coupled with an analytical approximation that allows unrestricted generation of context embeddings. This approach links NTP training to rank-constrained, nuclear-norm regularized optimization in the logit domain, offering a framework for analyzing the geometry of word and context embeddings. In large embedding spaces, we find that NTP implicitly favors learning logits with a sparse plus low-rank structure. While the sparse component captures the co-occurrence frequency of context-word pairs, the orthogonal low-rank component, which becomes dominant as training progresses, depends solely on the sparsity pattern of the co-occurrence matrix. Consequently, when projected onto an appropriate subspace, representations of contexts that are followed by the same set of next-tokens collapse, a phenomenon we term subspace-collapse. We validate our findings on synthetic and small-scale real language datasets. Finally, we outline potential research directions aimed at deepening the understanding of NTP's influence on the learning of linguistic patterns and regularities.
A physics-encoded Fourier neural operator approach for surrogate modeling of divergence-free stress fields in solids
Authors: Mohammad S. Khorrami, Pawan Goyal, Jaber R. Mianroodi, Bob Svendsen, Peter Benner, Dierk Raabe
Date: 2024-08-27 00:00:00

The purpose of the current work is the development of a so-called physics-encoded Fourier neural operator (PeFNO) for surrogate modeling of the quasi-static equilibrium stress field in solids. Rather than accounting for constraints from physics in the loss function as done in the (now standard) physics-informed approach, the physics-encoded approach incorporates or "encodes" such constraints directly into the network or operator architecture. As a result, in contrast to the physics-informed approach in which only training is physically constrained, both training and output are physically constrained in the physics-encoded approach. For the current constraint of divergence-free stress, a novel encoding approach based on a stress potential is proposed. As a "proof-of-concept" example application of the proposed PeFNO, a heterogeneous polycrystalline material consisting of isotropic elastic grains subject to uniaxial extension is considered. Stress field data for training are obtained from the numerical solution of a corresponding boundary-value problem for quasi-static mechanical equilibrium. This data is also employed to train an analogous physics-guided FNO (PgFNO) and physics-informed FNO (PiFNO) for comparison. As confirmed by this comparison and as expected on the basis of their differences, the output of the trained PeFNO is significantly more accurate in satisfying mechanical equilibrium than the output of either the trained PgFNO or the trained PiFNO.
Evaluating Credit VIX (CDS IV) Prediction Methods with Incremental Batch Learning
Authors: Robert Taylor
Date: 2024-08-27 00:00:00

This paper presents the experimental process and results of SVM, Gradient Boosting, and an Attention-GRU Hybrid model in predicting the Implied Volatility of rolled-over five-year spread contracts of credit default swaps (CDS) on European corporate debt during the quarter following mid-May '24, as represented by the iTraxx/Cboe Europe Main 1-Month Volatility Index (BP Volatility). The analysis employs a feature matrix inspired by Merton's determinants of default probability. Our comparative assessment aims to identify strengths in SOTA and classical machine learning methods for financial risk prediction