pwc-archive/papers-with-abstracts huggingface dataset:
Fusing Pruned and Backdoored Models: Optimal Transport-based Data-free Backdoor Mitigation
Authors: Weilin Lin, Li Liu, Jianze Li, Hui Xiong
Date: 2024-08-28 00:00:00
Tasks: backdoor defense

Backdoor attacks present a serious security threat to deep neuron networks (DNNs). Although numerous effective defense techniques have been proposed in recent years, they inevitably rely on the availability of either clean or poisoned data. In contrast, data-free defense techniques have evolved slowly and still lag significantly in performance. To address this issue, different from the traditional approach of pruning followed by fine-tuning, we propose a novel data-free defense method named Optimal Transport-based Backdoor Repairing (OTBR) in this work. This method, based on our findings on neuron weight changes (NWCs) of random unlearning, uses optimal transport (OT)-based model fusion to combine the advantages of both pruned and backdoored models. Specifically, we first demonstrate our findings that the NWCs of random unlearning are positively correlated with those of poison unlearning. Based on this observation, we propose a random-unlearning NWC pruning technique to eliminate the backdoor effect and obtain a backdoor-free pruned model. Then, motivated by the OT-based model fusion, we propose the pruned-to-backdoored OT-based fusion technique, which fuses pruned and backdoored models to combine the advantages of both, resulting in a model that demonstrates high clean accuracy and a low attack success rate. To our knowledge, this is the first work to apply OT and model fusion techniques to backdoor defense. Extensive experiments show that our method successfully defends against all seven backdoor attacks across three benchmark datasets, outperforming both state-of-the-art (SOTA) data-free and data-dependent methods. The code implementation and Appendix are provided in the Supplementary Material.
chemtrain: Learning Deep Potential Models via Automatic Differentiation and Statistical Physics
Authors: Paul Fuchs, Stephan Thaler, Sebastien Röcken, Julija Zavadlav
Date: 2024-08-28 00:00:00

Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while coarse-grained implicit solvent NN potentials surpass classical continuum solvent models. However, overcoming the limitations of costly generation of accurate reference data and data inefficiency of common bottom-up training demands efficient incorporation of data from many sources. This paper introduces the framework chemtrain to learn sophisticated NN potential models through customizable training routines and advanced training algorithms. These routines can combine multiple top-down and bottom-up algorithms, e.g., to incorporate both experimental and simulation data or pre-train potentials with less costly algorithms. chemtrain provides an object-oriented high-level interface to simplify the creation of custom routines. On the lower level, chemtrain relies on JAX to compute gradients and scale the computations to use available resources. We demonstrate the simplicity and importance of combining multiple algorithms in the examples of parametrizing an all-atomistic model of titanium and a coarse-grained implicit solvent model of alanine dipeptide.
Automatic Differential Diagnosis using Transformer-Based Multi-Label Sequence Classification
Authors: Abu Adnan Sadi, Mohammad Ashrafuzzaman Khan, Lubaba Binte Saber
Date: 2024-08-28 00:00:00
Tasks: Diagnostic, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

As the field of artificial intelligence progresses, assistive technologies are becoming more widely used across all industries. The healthcare industry is no different, with numerous studies being done to develop assistive tools for healthcare professionals. Automatic diagnostic systems are one such beneficial tool that can assist with a variety of tasks, including collecting patient information, analyzing test results, and diagnosing patients. However, the idea of developing systems that can provide a differential diagnosis has been largely overlooked in most of these research studies. In this study, we propose a transformer-based approach for providing differential diagnoses based on a patient's age, sex, medical history, and symptoms. We use the DDXPlus dataset, which provides differential diagnosis information for patients based on 49 disease types. Firstly, we propose a method to process the tabular patient data from the dataset and engineer them into patient reports to make them suitable for our research. In addition, we introduce two data modification modules to diversify the training data and consequently improve the robustness of the models. We approach the task as a multi-label classification problem and conduct extensive experiments using four transformer models. All the models displayed promising results by achieving over 97% F1 score on the held-out test set. Moreover, we design additional behavioral tests to get a broader understanding of the models. In particular, for one of our test cases, we prepared a custom test set of 100 samples with the assistance of a doctor. The results on the custom set showed that our proposed data modification modules improved the model's generalization capabilities. We hope our findings will provide future researchers with valuable insights and inspire them to develop reliable systems for automatic differential diagnosis.
Automated Mixture Analysis via Structural Evaluation
Authors: Zachary T. P. Fried, Brett A. McGuire
Date: 2024-08-28 00:00:00

The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features present in spectroscopic databases can make unambiguous assignment to individual species challenging. Yet, components of a mixture are commonly chemically related due to environmental processes or shared precursor molecules. Therefore, analysis of the chemical relevance of a molecule is important when determining which species are present in a mixture. In this paper, we combine machine-learning molecular embedding methods with a graph-based ranking system to determine the likelihood of a molecule being present in a mixture based on the other known species and/or chemical priors. By incorporating this metric in a rotational spectroscopy mixture analysis algorithm, we demonstrate that the mixture components can be identified with extremely high accuracy (>97%) in an efficient manner.
Language Adaptation on a Tight Academic Compute Budget: Tokenizer Swapping Works and Pure bfloat16 Is Enough
Authors: Konstantin Dobler, Gerard de Melo
Date: 2024-08-28 00:00:00

We investigate continued pretraining of LLMs for language adaptation on a tight academic budget: a setting in which only a few GPUs can be used in parallel, for a heavily constrained duration. We focus on adapting Mistral-7B to German or Arabic and evaluate several techniques to improve efficiency and effectiveness in this setting. Our German models adapted on this tight compute budget underperform compared to the base Mistral-7B, while our Arabic models outperform several baselines, showing that for sufficiently well-represented languages, continued pretraining for specialization is not always helpful. Our main findings focus on training precision and tokenizer swapping. Our results show that pure bfloat16 training is a viable alternative to mixed-precision training, while being much faster when only using a few GPUs. Swapping the tokenizer for a specialized one yields more efficient tokenization and is competitive with the original tokenizer, which already contains some German tokens, but did not significantly increase performance for German. Code and model weights are available at on GitHub.
Efficient LLM Scheduling by Learning to Rank
Authors: Yichao Fu, Siqi Zhu, Runlong Su, Aurick Qiao, Ion Stoica, Hao Zhang
Date: 2024-08-28 00:00:00
Tasks: Blocking, Chatbot, Language Modeling, Language Modelling, Large Language Model, Learning-To-Rank, Scheduling, Synthetic Data Generation

In Large Language Model (LLM) inference, the output length of an LLM request is typically regarded as not known a priori. Consequently, most LLM serving systems employ a simple First-come-first-serve (FCFS) scheduling strategy, leading to Head-Of-Line (HOL) blocking and reduced throughput and service quality. In this paper, we reexamine this assumption -- we show that, although predicting the exact generation length of each request is infeasible, it is possible to predict the relative ranks of output lengths in a batch of requests, using learning to rank. The ranking information offers valuable guidance for scheduling requests. Building on this insight, we develop a novel scheduler for LLM inference and serving that can approximate the shortest-job-first (SJF) schedule better than existing approaches. We integrate this scheduler with the state-of-the-art LLM serving system and show significant performance improvement in several important applications: 2.8x lower latency in chatbot serving and 6.5x higher throughput in synthetic data generation. Our code is available at https://github.com/hao-ai-lab/vllm-ltr.git
Implicit Regularization Paths of Weighted Neural Representations
Authors: Jin-Hong Du, Pratik Patil
Date: 2024-08-28 00:00:00

We study the implicit regularization effects induced by (observation) weighting of pretrained features. For weight and feature matrices of bounded operator norms that are infinitesimally free with respect to (normalized) trace functionals, we derive equivalence paths connecting different weighting matrices and ridge regularization levels. Specifically, we show that ridge estimators trained on weighted features along the same path are asymptotically equivalent when evaluated against test vectors of bounded norms. These paths can be interpreted as matching the effective degrees of freedom of ridge estimators fitted with weighted features. For the special case of subsampling without replacement, our results apply to independently sampled random features and kernel features and confirm recent conjectures (Conjectures 7 and 8) of the authors on the existence of such paths in Patil et al. We also present an additive risk decomposition for ensembles of weighted estimators and show that the risks are equivalent along the paths when the ensemble size goes to infinity. As a practical consequence of the path equivalences, we develop an efficient cross-validation method for tuning and apply it to subsampled pretrained representations across several models (e.g., ResNet-50) and datasets (e.g., CIFAR-100).
wav2pos: Sound Source Localization using Masked Autoencoders
Authors: Axel Berg, Jens Gulin, Mark O'Connor, Chuteng Zhou, Karl Åström, Magnus Oskarsson
Date: 2024-08-28 00:00:00
Tasks: Indoor Localization, Sound Source Localization

We present a novel approach to the 3D sound source localization task for distributed ad-hoc microphone arrays by formulating it as a set-to-set regression problem. By training a multi-modal masked autoencoder model that operates on audio recordings and microphone coordinates, we show that such a formulation allows for accurate localization of the sound source, by reconstructing coordinates masked in the input. Our approach is flexible in the sense that a single model can be used with an arbitrary number of microphones, even when a subset of audio recordings and microphone coordinates are missing. We test our method on simulated and real-world recordings of music and speech in indoor environments, and demonstrate competitive performance compared to both classical and other learning based localization methods.
Learning Harmonized Representations for Speculative Sampling
Authors: Lefan Zhang, Xiaodan Wang, Yanhua Huang, Ruiwen Xu
Date: 2024-08-28 00:00:00

Speculative sampling is a promising approach to accelerate the decoding stage for Large Language Models (LLMs). Recent advancements that leverage target LLM's contextual information, such as hidden states and KV cache, have shown significant practical improvements. However, these approaches suffer from inconsistent context between training and decoding. We also observe another discrepancy between the training and decoding objectives in existing speculative sampling methods. In this work, we propose a solution named HArmonized Speculative Sampling (HASS) that learns harmonized representations to address these issues. HASS accelerates the decoding stage without adding inference overhead through harmonized objective distillation and harmonized context alignment. Experiments on four LLaMA models demonstrate that HASS achieves 2.81x-4.05x wall-clock time speedup ratio averaging across three datasets, surpassing EAGLE-2 by 8%-20%.
A Neural Material Point Method for Particle-based Simulations
Authors: Omer Rochman Sharabi, Sacha Lewin, Gilles Louppe
Date: 2024-08-28 00:00:00

Mesh-free Lagrangian methods are widely used for simulating fluids, solids, and their complex interactions due to their ability to handle large deformations and topological changes. These physics simulators, however, require substantial computational resources for accurate simulations. To address these issues, deep learning emulators promise faster and scalable simulations, yet they often remain expensive and difficult to train, limiting their practical use. Inspired by the Material Point Method (MPM), we present NeuralMPM, a neural emulation framework for particle-based simulations. NeuralMPM interpolates Lagrangian particles onto a fixed-size grid, computes updates on grid nodes using image-to-image neural networks, and interpolates back to the particles. Similarly to MPM, NeuralMPM benefits from the regular voxelized representation to simplify the computation of the state dynamics, while avoiding the drawbacks of mesh-based Eulerian methods. We demonstrate the advantages of NeuralMPM on several datasets, including fluid dynamics and fluid-solid interactions. Compared to existing methods, NeuralMPM reduces training times from days to hours, while achieving comparable or superior long-term accuracy, making it a promising approach for practical forward and inverse problems. A project page is available at https://neuralmpm.isach.be
Autoregressive model path dependence near Ising criticality
Authors: Yi Hong Teoh, Roger G. Melko
Date: 2024-08-28 00:00:00
Tasks: model

Autoregressive models are a class of generative model that probabilistically predict the next output of a sequence based on previous inputs. The autoregressive sequence is by definition one-dimensional (1D), which is natural for language tasks and hence an important component of modern architectures like recurrent neural networks (RNNs) and transformers. However, when language models are used to predict outputs on physical systems that are not intrinsically 1D, the question arises of which choice of autoregressive sequence -- if any -- is optimal. In this paper, we study the reconstruction of critical correlations in the two-dimensional (2D) Ising model, using RNNs and transformers trained on binary spin data obtained near the thermal phase transition. We compare the training performance for a number of different 1D autoregressive sequences imposed on finite-size 2D lattices. We find that paths with long 1D segments are more efficient at training the autoregressive models compared to space-filling curves that better preserve the 2D locality. Our results illustrate the potential importance in choosing the optimal autoregressive sequence ordering when training modern language models for tasks in physics.
Auxiliary-Loss-Free Load Balancing Strategy for Mixture-of-Experts
Authors: Lean Wang, Huazuo Gao, Chenggang Zhao, Xu sun, Damai Dai
Date: 2024-08-28 00:00:00
Tasks: Mixture-of-Experts

For Mixture-of-Experts (MoE) models, an unbalanced expert load will lead to routing collapse or increased computational overhead. Existing methods commonly employ an auxiliary loss to encourage load balance, but a large auxiliary loss will introduce non-negligible interference gradients into training and thus impair the model performance. In order to control load balance while not producing undesired gradients during training, we propose Loss-Free Balancing, featured by an auxiliary-loss-free load balancing strategy. To be specific, before the top-K routing decision, Loss-Free Balancing will first apply an expert-wise bias to the routing scores of each expert. By dynamically updating the bias of each expert according to its recent load, Loss-Free Balancing can consistently maintain a balanced distribution of expert load. In addition, since Loss-Free Balancing does not produce any interference gradients, it also elevates the upper bound of model performance gained from MoE training. We validate the performance of Loss-Free Balancing on MoE models with up to 3B parameters trained on up to 200B tokens. Experimental results show that Loss-Free Balancing achieves both better performance and better load balance compared with traditional auxiliary-loss-controlled load balancing strategies.
Comparison of Model Predictive Control and Proximal Policy Optimization for a 1-DOF Helicopter System
Authors: Georg Schäfer, Jakob Rehrl, Stefan Huber, Simon Hirlaender
Date: 2024-08-28 00:00:00
Tasks: Deep Reinforcement Learning, Model Predictive Control

This study conducts a comparative analysis of Model Predictive Control (MPC) and Proximal Policy Optimization (PPO), a Deep Reinforcement Learning (DRL) algorithm, applied to a 1-Degree of Freedom (DOF) Quanser Aero 2 system. Classical control techniques such as MPC and Linear Quadratic Regulator (LQR) are widely used due to their theoretical foundation and practical effectiveness. However, with advancements in computational techniques and machine learning, DRL approaches like PPO have gained traction in solving optimal control problems through environment interaction. This paper systematically evaluates the dynamic response characteristics of PPO and MPC, comparing their performance, computational resource consumption, and implementation complexity. Experimental results show that while LQR achieves the best steady-state accuracy, PPO excels in rise-time and adaptability, making it a promising approach for applications requiring rapid response and adaptability. Additionally, we have established a baseline for future RL-related research on this specific testbed. We also discuss the strengths and limitations of each control strategy, providing recommendations for selecting appropriate controllers for real-world scenarios.
Convergent Differential Privacy Analysis for General Federated Learning: the $f$-DP Perspective
Authors: Yan Sun, Li Shen, DaCheng Tao
Date: 2024-08-28 00:00:00
Tasks: Federated Learning

Federated learning (FL) is an efficient collaborative training paradigm extensively developed with a focus on local privacy, and differential privacy (DP) is a classical approach to capture and ensure the reliability of private security. Their powerful cooperation provides a promising paradigm for the large-scale private clients. As a predominant implementation, the noisy perturbation has been widely studied, being theoretically proven to offer significant protections. However, existing analyses in FL-DP mostly rely on the composition theorem and cannot tightly quantify the privacy leakage challenges, which is tight for a few communication rounds but yields an arbitrarily loose and divergent bound eventually. This also implies a counterintuitive judgment, suggesting that FL-DP may not provide adequate privacy support during long-term training. To further investigate the convergent privacy and reliability of the FL-DP framework, in this paper, we comprehensively evaluate the worst privacy of two classical methods under the non-convex and smooth objectives based on the $f$-DP analysis. With the aid of the shifted interpolation technique, we successfully prove that privacy in {\ttfamily Noisy-FedAvg} has a tight convergent bound. Moreover, with the regularization of the proxy term, privacy in {\ttfamily Noisy-FedProx} has a stable constant lower bound. Our analysis further demonstrates a solid theoretical foundation for the reliability of privacy in FL-DP. Meanwhile, our conclusions can also be losslessly converted to other classical DP analytical frameworks, e.g. $(\epsilon,\delta)$-DP and R$\acute{\text{e}}$nyi-DP (RDP).
CAPER: Enhancing Career Trajectory Prediction using Temporal Knowledge Graph and Ternary Relationship
Authors: Yeon-Chang Lee, Jaehyun Lee, Michiharu Yamashita, Dongwon Lee, Sang-Wook Kim
Date: 2024-08-28 00:00:00
Tasks: Position, Trajectory Prediction

The problem of career trajectory prediction (CTP) aims to predict one's future employer or job position. While several CTP methods have been developed for this problem, we posit that none of these methods (1) jointly considers the mutual ternary dependency between three key units (i.e., user, position, and company) of a career and (2) captures the characteristic shifts of key units in career over time, leading to an inaccurate understanding of the job movement patterns in the labor market. To address the above challenges, we propose a novel solution, named as CAPER, that solves the challenges via sophisticated temporal knowledge graph (TKG) modeling. It enables the utilization of a graph-structured knowledge base with rich expressiveness, effectively preserving the changes in job movement patterns. Furthermore, we devise an extrapolated career reasoning task on TKG for a realistic evaluation. The experiments on a real-world career trajectory dataset demonstrate that CAPER consistently and significantly outperforms four baselines, two recent TKG reasoning methods, and five state-of-the-art CTP methods in predicting one's future companies and positions--i.e., on average, yielding 6.80% and 34.58% more accurate predictions, respectively. The codebase of CAPER is available at https://github.com/Bigdasgit/CAPER.
Large-Scale Demand Prediction in Urban Rail using Multi-Graph Inductive Representation Learning
Authors: Dang Viet Anh Nguyen, J. Victor Flensburg, Fabrizio Cerreto, Bianca Pascariu, Paola Pellegrini, Carlos Lima Azevedo, Filipe Rodrigues
Date: 2024-08-28 00:00:00
Tasks: Prediction, Representation Learning, Scheduling

With the expansion of cities over time, URT (Urban Rail Transit) networks have also grown significantly. Demand prediction plays an important role in supporting planning, scheduling, fleet management, and other operational decisions. In this study, we propose an Origin-Destination (OD) demand prediction model called Multi-Graph Inductive Representation Learning (mGraphSAGE) for large-scale URT networks under operational uncertainties. Our main contributions are twofold: we enhance prediction results while ensuring scalability for large networks by relying simultaneously on multiple graphs, where each OD pair is a node on a graph and distinct OD relationships, such as temporal and spatial correlations; we show the importance of including operational uncertainties such as train delays and cancellations as inputs in demand prediction for daily operations. The model is validated on three different scales of the URT network in Copenhagen, Denmark. Experimental results show that by leveraging information from neighboring ODs and learning node representations via sampling and aggregation, mGraphSAGE is particularly suitable for OD demand prediction in large-scale URT networks, outperforming reference machine learning methods. Furthermore, during periods with train cancellations and delays, the performance gap between mGraphSAGE and other methods improves compared to normal operating conditions, demonstrating its ability to leverage system reliability information for predicting OD demand under uncertainty.