pwc-archive/papers-with-abstracts huggingface dataset:
Searching for Efficient Linear Layers over a Continuous Space of Structured Matrices
Authors: Andres Potapczynski, Shikai Qiu, Marc Finzi, Christopher Ferri, Zixi Chen, Micah Goldblum, Bayan Bruss, Christopher De Sa, Andrew Gordon Wilson
Date: 2024-10-03 00:00:00
Tasks: Mixture-of-Experts

Dense linear layers are the dominant computational bottleneck in large neural networks, presenting a critical need for more efficient alternatives. Previous efforts focused on a small number of hand-crafted structured matrices and neglected to investigate whether these structures can surpass dense layers in terms of compute-optimal scaling laws when both the model size and training examples are optimally allocated. In this work, we present a unifying framework that enables searching among all linear operators expressible via an Einstein summation. This framework encompasses many previously proposed structures, such as low-rank, Kronecker, Tensor-Train, Block Tensor-Train (BTT), and Monarch, along with many novel structures. To analyze the framework, we develop a taxonomy of all such operators based on their computational and algebraic properties and show that differences in the compute-optimal scaling laws are mostly governed by a small number of variables that we introduce. Namely, a small $\omega$ (which measures parameter sharing) and large $\psi$ (which measures the rank) reliably led to better scaling laws. Guided by the insight that full-rank structures that maximize parameters per unit of compute perform the best, we propose BTT-MoE, a novel Mixture-of-Experts (MoE) architecture obtained by sparsifying computation in the BTT structure. In contrast to the standard sparse MoE for each entire feed-forward network, BTT-MoE learns an MoE in every single linear layer of the model, including the projection matrices in the attention blocks. We find BTT-MoE provides a substantial compute-efficiency gain over dense layers and standard MoE.
Dataset Distillation via Knowledge Distillation: Towards Efficient Self-Supervised Pre-Training of Deep Networks
Authors: Siddharth Joshi, Jiayi Ni, Baharan Mirzasoleiman
Date: 2024-10-03 00:00:00
Tasks: Dataset Distillation, Knowledge Distillation

Dataset distillation (DD) generates small synthetic datasets that can efficiently train deep networks with a limited amount of memory and compute. Despite the success of DD methods for supervised learning, DD for self-supervised pre-training of deep models has remained unaddressed. Pre-training on unlabeled data is crucial for efficiently generalizing to downstream tasks with limited labeled data. In this work, we propose the first effective DD method for SSL pre-training. First, we show, theoretically and empirically, that naive application of supervised DD methods to SSL fails, due to the high variance of the SSL gradient. Then, we address this issue by relying on insights from knowledge distillation (KD) literature. Specifically, we train a small student model to match the representations of a larger teacher model trained with SSL. Then, we generate a small synthetic dataset by matching the training trajectories of the student models. As the KD objective has considerably lower variance than SSL, our approach can generate synthetic datasets that can successfully pre-train high-quality encoders. Through extensive experiments, we show that our distilled sets lead to up to 13% higher accuracy than prior work, on a variety of downstream tasks, in the presence of limited labeled data. Code at https://github.com/BigML-CS-UCLA/MKDT.
Mamba Neural Operator: Who Wins? Transformers vs. State-Space Models for PDEs
Authors: Chun-Wun Cheng, Jiahao Huang, Yi Zhang, Guang Yang, Carola-Bibiane Schönlieb, Angelica I Aviles-Rivero
Date: 2024-10-03 00:00:00
Tasks: Mamba, State Space Models

Partial differential equations (PDEs) are widely used to model complex physical systems, but solving them efficiently remains a significant challenge. Recently, Transformers have emerged as the preferred architecture for PDEs due to their ability to capture intricate dependencies. However, they struggle with representing continuous dynamics and long-range interactions. To overcome these limitations, we introduce the Mamba Neural Operator (MNO), a novel framework that enhances neural operator-based techniques for solving PDEs. MNO establishes a formal theoretical connection between structured state-space models (SSMs) and neural operators, offering a unified structure that can adapt to diverse architectures, including Transformer-based models. By leveraging the structured design of SSMs, MNO captures long-range dependencies and continuous dynamics more effectively than traditional Transformers. Through extensive analysis, we show that MNO significantly boosts the expressive power and accuracy of neural operators, making it not just a complement but a superior framework for PDE-related tasks, bridging the gap between efficient representation and accurate solution approximation.
A Watermark for Black-Box Language Models
Authors: Dara Bahri, John Wieting
Date: 2024-10-02 00:00:00

Watermarking has recently emerged as an effective strategy for detecting the outputs of large language models (LLMs). Most existing schemes require white-box access to the model's next-token probability distribution, which is typically not accessible to downstream users of an LLM API. In this work, we propose a principled watermarking scheme that requires only the ability to sample sequences from the LLM (i.e. black-box access), boasts a distortion-free property, and can be chained or nested using multiple secret keys. We provide performance guarantees, demonstrate how it can be leveraged when white-box access is available, and show when it can outperform existing white-box schemes via comprehensive experiments.
HyperBrain: Anomaly Detection for Temporal Hypergraph Brain Networks
Authors: Sadaf Sadeghian, Xiaoxiao Li, Margo Seltzer
Date: 2024-10-02 00:00:00
Tasks: Anomaly Detection, Graph Learning, Unsupervised Anomaly Detection

Identifying unusual brain activity is a crucial task in neuroscience research, as it aids in the early detection of brain disorders. It is common to represent brain networks as graphs, and researchers have developed various graph-based machine learning methods for analyzing them. However, the majority of existing graph learning tools for the brain face a combination of the following three key limitations. First, they focus only on pairwise correlations between regions of the brain, limiting their ability to capture synchronized activity among larger groups of regions. Second, they model the brain network as a static network, overlooking the temporal changes in the brain. Third, most are designed only for classifying brain networks as healthy or disordered, lacking the ability to identify abnormal brain activity patterns linked to biomarkers associated with disorders. To address these issues, we present HyperBrain, an unsupervised anomaly detection framework for temporal hypergraph brain networks. HyperBrain models fMRI time series data as temporal hypergraphs capturing dynamic higher-order interactions. It then uses a novel customized temporal walk (BrainWalk) and neural encodings to detect abnormal co-activations among brain regions. We evaluate the performance of HyperBrain in both synthetic and real-world settings for Autism Spectrum Disorder and Attention Deficit Hyperactivity Disorder(ADHD). HyperBrain outperforms all other baselines on detecting abnormal co-activations in brain networks. Furthermore, results obtained from HyperBrain are consistent with clinical research on these brain disorders. Our findings suggest that learning temporal and higher-order connections in the brain provides a promising approach to uncover intricate connectivity patterns in brain networks, offering improved diagnosis.
FARM: Functional Group-Aware Representations for Small Molecules
Authors: Thao Nguyen, Kuan-Hao Huang, Ge Liu, Martin D. Burke, Ying Diao, Heng Ji
Date: 2024-10-02 00:00:00
Tasks: Contrastive Learning, Drug Discovery, Language Modeling, Language Modelling, Masked Language Modeling, molecular representation, Representation Learning

We introduce Functional Group-Aware Representations for Small Molecules (FARM), a novel foundation model designed to bridge the gap between SMILES, natural language, and molecular graphs. The key innovation of FARM lies in its functional group-aware tokenization, which directly incorporates functional group information into the representations. This strategic reduction in tokenization granularity is intentionally aligned with key drivers of functional properties (i.e., functional groups), enhancing the model's understanding of chemical language. By expanding the chemical lexicon, FARM more effectively bridges SMILES and natural language, ultimately advancing the model's capacity to predict molecular properties. FARM also represents molecules from two perspectives: by using masked language modeling to capture atom-level features and by employing graph neural networks to encode the whole molecule topology. By leveraging contrastive learning, FARM aligns these two views of representations into a unified molecular embedding. We rigorously evaluate FARM on the MoleculeNet dataset, where it achieves state-of-the-art performance on 10 out of 12 tasks. These results highlight FARM's potential to improve molecular representation learning, with promising applications in drug discovery and pharmaceutical research.
MixLinear: Extreme Low Resource Multivariate Time Series Forecasting with 0.1K Parameters
Authors: Aitian Ma, Dongsheng Luo, Mo Sha
Date: 2024-10-02 00:00:00
Tasks: Multivariate Time Series Forecasting, Time Series, Time Series Forecasting

Recently, there has been a growing interest in Long-term Time Series Forecasting (LTSF), which involves predicting long-term future values by analyzing a large amount of historical time-series data to identify patterns and trends. There exist significant challenges in LTSF due to its complex temporal dependencies and high computational demands. Although Transformer-based models offer high forecasting accuracy, they are often too compute-intensive to be deployed on devices with hardware constraints. On the other hand, the linear models aim to reduce the computational overhead by employing either decomposition methods in the time domain or compact representations in the frequency domain. In this paper, we propose MixLinear, an ultra-lightweight multivariate time series forecasting model specifically designed for resource-constrained devices. MixLinear effectively captures both temporal and frequency domain features by modeling intra-segment and inter-segment variations in the time domain and extracting frequency variations from a low-dimensional latent space in the frequency domain. By reducing the parameter scale of a downsampled $n$-length input/output one-layer linear model from $O(n^2)$ to $O(n)$, MixLinear achieves efficient computation without sacrificing accuracy. Extensive evaluations with four benchmark datasets show that MixLinear attains forecasting performance comparable to, or surpassing, state-of-the-art models with significantly fewer parameters ($0.1K$), which makes it well-suited for deployment on devices with limited computational capacity.
Deep Generative Modeling for Identification of Noisy, Non-Stationary Dynamical Systems
Authors: Doris Voina, Steven Brunton, J. Nathan Kutz
Date: 2024-10-02 00:00:00
Tasks: Uncertainty Quantification, Variational Inference

A significant challenge in many fields of science and engineering is making sense of time-dependent measurement data by recovering governing equations in the form of differential equations. We focus on finding parsimonious ordinary differential equation (ODE) models for nonlinear, noisy, and non-autonomous dynamical systems and propose a machine learning method for data-driven system identification. While many methods tackle noisy and limited data, non-stationarity - where differential equation parameters change over time - has received less attention. Our method, dynamic SINDy, combines variational inference with SINDy (sparse identification of nonlinear dynamics) to model time-varying coefficients of sparse ODEs. This framework allows for uncertainty quantification of ODE coefficients, expanding on previous methods for autonomous systems. These coefficients are then interpreted as latent variables and added to the system to obtain an autonomous dynamical model. We validate our approach using synthetic data, including nonlinear oscillators and the Lorenz system, and apply it to neuronal activity data from C. elegans. Dynamic SINDy uncovers a global nonlinear model, showing it can handle real, noisy, and chaotic datasets. We aim to apply our method to a variety of problems, specifically dynamic systems with complex time-dependent parameters.
Price-guided user attention in large-scale E-commerce group recommendation
Authors: Yang Shi, Young-joo Chung
Date: 2024-10-02 00:00:00
Tasks: Decision Making, Recommendation Systems

Existing group recommender systems utilize attention mechanisms to identify critical users who influence group decisions the most. We analyzed user attention scores from a widely-used group recommendation model on a real-world E-commerce dataset and found that item price and user interaction history significantly influence the selection of critical users. When item prices are low, users with extensive interaction histories are more influential in group decision-making. Conversely, their influence diminishes with higher item prices. Based on these observations, we propose a novel group recommendation approach that incorporates item price as a guiding factor for user aggregation. Our model employs an adaptive sigmoid function to adjust output logits based on item prices, enhancing the accuracy of user aggregation. Our model can be plugged into any attention-based group recommender system if the price information is available. We evaluate our model's performance on a public benchmark and a real-world dataset. We compare it with other state-of-the-art group recommendation methods. Our results demonstrate that our price-guided user attention approach outperforms the state-of-the-art methods in terms of hit ratio and mean square error.
MMFNet: Multi-Scale Frequency Masking Neural Network for Multivariate Time Series Forecasting
Authors: Aitian Ma, Dongsheng Luo, Mo Sha
Date: 2024-10-02 00:00:00
Tasks: Multivariate Time Series Forecasting, Multivariate Time Series Forecastingm, Time Series, Time Series Forecasting

Long-term Time Series Forecasting (LTSF) is critical for numerous real-world applications, such as electricity consumption planning, financial forecasting, and disease propagation analysis. LTSF requires capturing long-range dependencies between inputs and outputs, which poses significant challenges due to complex temporal dynamics and high computational demands. While linear models reduce model complexity by employing frequency domain decomposition, current approaches often assume stationarity and filter out high-frequency components that may contain crucial short-term fluctuations. In this paper, we introduce MMFNet, a novel model designed to enhance long-term multivariate forecasting by leveraging a multi-scale masked frequency decomposition approach. MMFNet captures fine, intermediate, and coarse-grained temporal patterns by converting time series into frequency segments at varying scales while employing a learnable mask to filter out irrelevant components adaptively. Extensive experimentation with benchmark datasets shows that MMFNet not only addresses the limitations of the existing methods but also consistently achieves good performance. Specifically, MMFNet achieves up to 6.0% reductions in the Mean Squared Error (MSE) compared to state-of-the-art models designed for multivariate forecasting tasks.
Fast and Sample Efficient Multi-Task Representation Learning in Stochastic Contextual Bandits
Authors: Jiabin Lin, Shana Moothedath, Namrata Vaswani
Date: 2024-10-02 00:00:00
Tasks: Multi-Armed Bandits, Multi-Task Learning, Representation Learning

We study how representation learning can improve the learning efficiency of contextual bandit problems. We study the setting where we play T contextual linear bandits with dimension d simultaneously, and these T bandit tasks collectively share a common linear representation with a dimensionality of r much smaller than d. We present a new algorithm based on alternating projected gradient descent (GD) and minimization estimator to recover a low-rank feature matrix. Using the proposed estimator, we present a multi-task learning algorithm for linear contextual bandits and prove the regret bound of our algorithm. We presented experiments and compared the performance of our algorithm against benchmark algorithms.
Inspection and Control of Self-Generated-Text Recognition Ability in Llama3-8b-Instruct
Authors: Christopher Ackerman, Nina Panickssery
Date: 2024-10-02 00:00:00

It has been reported that LLMs can recognize their own writing. As this has potential implications for AI safety, yet is relatively understudied, we investigate the phenomenon, seeking to establish whether it robustly occurs at the behavioral level, how the observed behavior is achieved, and whether it can be controlled. First, we find that the Llama3-8b-Instruct chat model - but not the base Llama3-8b model - can reliably distinguish its own outputs from those of humans, and present evidence that the chat model is likely using its experience with its own outputs, acquired during post-training, to succeed at the writing recognition task. Second, we identify a vector in the residual stream of the model that is differentially activated when the model makes a correct self-written-text recognition judgment, show that the vector activates in response to information relevant to self-authorship, present evidence that the vector is related to the concept of "self" in the model, and demonstrate that the vector is causally related to the model's ability to perceive and assert self-authorship. Finally, we show that the vector can be used to control both the model's behavior and its perception, steering the model to claim or disclaim authorship by applying the vector to the model's output as it generates it, and steering the model to believe or disbelieve it wrote arbitrary texts by applying the vector to them as the model reads them.
TPP-LLM: Modeling Temporal Point Processes by Efficiently Fine-Tuning Large Language Models
Authors: Zefang Liu, Yinzhu Quan
Date: 2024-10-02 00:00:00
Tasks: Computational Efficiency, parameter-efficient fine-tuning, Point Processes

Temporal point processes (TPPs) are widely used to model the timing and occurrence of events in domains such as social networks, transportation systems, and e-commerce. In this paper, we introduce TPP-LLM, a novel framework that integrates large language models (LLMs) with TPPs to capture both the semantic and temporal aspects of event sequences. Unlike traditional methods that rely on categorical event type representations, TPP-LLM directly utilizes the textual descriptions of event types, enabling the model to capture rich semantic information embedded in the text. While LLMs excel at understanding event semantics, they are less adept at capturing temporal patterns. To address this, TPP-LLM incorporates temporal embeddings and employs parameter-efficient fine-tuning (PEFT) methods to effectively learn temporal dynamics without extensive retraining. This approach improves both predictive accuracy and computational efficiency. Experimental results across diverse real-world datasets demonstrate that TPP-LLM outperforms state-of-the-art baselines in sequence modeling and event prediction, highlighting the benefits of combining LLMs with TPPs.
PerTok: Expressive Encoding and Modeling of Symbolic Musical Ideas and Variations
Authors: Julian Lenz, Anirudh Mani
Date: 2024-10-02 00:00:00
Tasks: Decoder

We introduce Cadenza, a new multi-stage generative framework for predicting expressive variations of symbolic musical ideas as well as unconditional generations. To accomplish this we propose a novel MIDI encoding method, PerTok (Performance Tokenizer) that captures minute expressive details whilst reducing sequence length up to 59% and vocabulary size up to 95% for polyphonic, monophonic and rhythmic tasks. The proposed framework comprises of two sequential stages: 1) Composer and 2) Performer. The Composer model is a transformer-based Variational Autoencoder (VAE), with Rotary Positional Embeddings (RoPE)ROPE and an autoregressive decoder modified to more effectively integrate the latent codes of the input musical idea. The Performer model is a bidirectional transformer encoder that is separately trained to predict velocities and microtimings on MIDI sequences. Objective and human evaluations demonstrate Cadenza's versatile capability in 1) matching other unconditional state-of-the-art symbolic models in musical quality whilst sounding more expressive, and 2) composing new, expressive ideas that are both stylistically related to the input whilst providing novel ideas to the user. Our framework is designed, researched and implemented with the objective of ethically providing inspiration for musicians.
Impact of White-Box Adversarial Attacks on Convolutional Neural Networks
Authors: Rakesh Podder, Sudipto Ghosh
Date: 2024-10-02 00:00:00
Tasks: SSIM

Autonomous vehicle navigation and healthcare diagnostics are among the many fields where the reliability and security of machine learning models for image data are critical. We conduct a comprehensive investigation into the susceptibility of Convolutional Neural Networks (CNNs), which are widely used for image data, to white-box adversarial attacks. We investigate the effects of various sophisticated attacks -- Fast Gradient Sign Method, Basic Iterative Method, Jacobian-based Saliency Map Attack, Carlini & Wagner, Projected Gradient Descent, and DeepFool -- on CNN performance metrics, (e.g., loss, accuracy), the differential efficacy of adversarial techniques in increasing error rates, the relationship between perceived image quality metrics (e.g., ERGAS, PSNR, SSIM, and SAM) and classification performance, and the comparative effectiveness of iterative versus single-step attacks. Using the MNIST, CIFAR-10, CIFAR-100, and Fashio_MNIST datasets, we explore the effect of different attacks on the CNNs performance metrics by varying the hyperparameters of CNNs. Our study provides insights into the robustness of CNNs against adversarial threats, pinpoints vulnerabilities, and underscores the urgent need for developing robust defense mechanisms to protect CNNs and ensuring their trustworthy deployment in real-world scenarios.