pwc-archive/papers-with-abstracts huggingface dataset:
Explaining Clustering of Ecological Momentary Assessment Data Through Temporal and Feature Attention
Authors: Mandani Ntekouli, Gerasimos Spanakis, Lourens Waldorp, Anne Roefs
Date: 2024-05-08 00:00:00
Tasks: Clustering

In the field of psychopathology, Ecological Momentary Assessment (EMA) studies offer rich individual data on psychopathology-relevant variables (e.g., affect, behavior, etc) in real-time. EMA data is collected dynamically, represented as complex multivariate time series (MTS). Such information is crucial for a better understanding of mental disorders at the individual- and group-level. More specifically, clustering individuals in EMA data facilitates uncovering and studying the commonalities as well as variations of groups in the population. Nevertheless, since clustering is an unsupervised task and true EMA grouping is not commonly available, the evaluation of clustering is quite challenging. An important aspect of evaluation is clustering explainability. Thus, this paper proposes an attention-based interpretable framework to identify the important time-points and variables that play primary roles in distinguishing between clusters. A key part of this study is to examine ways to analyze, summarize, and interpret the attention weights as well as evaluate the patterns underlying the important segments of the data that differentiate across clusters. To evaluate the proposed approach, an EMA dataset of 187 individuals grouped in 3 clusters is used for analyzing the derived attention-based importance attributes. More specifically, this analysis provides the distinct characteristics at the cluster-, feature- and individual level. Such clustering explanations could be beneficial for generalizing existing concepts of mental disorders, discovering new insights, and even enhancing our knowledge at an individual level.
Variational Schrödinger Diffusion Models
Authors: Wei Deng, Weijian Luo, Yixin Tan, Marin Biloš, Yu Chen, Yuriy Nevmyvaka, Ricky T. Q. Chen
Date: 2024-05-08 00:00:00
Tasks: Image Generation, Variational Inference

Schr\"odinger bridge (SB) has emerged as the go-to method for optimizing transportation plans in diffusion models. However, SB requires estimating the intractable forward score functions, inevitably resulting in the costly implicit training loss based on simulated trajectories. To improve the scalability while preserving efficient transportation plans, we leverage variational inference to linearize the forward score functions (variational scores) of SB and restore simulation-free properties in training backward scores. We propose the variational Schr\"odinger diffusion model (VSDM), where the forward process is a multivariate diffusion and the variational scores are adaptively optimized for efficient transport. Theoretically, we use stochastic approximation to prove the convergence of the variational scores and show the convergence of the adaptively generated samples based on the optimal variational scores. Empirically, we test the algorithm in simulated examples and observe that VSDM is efficient in generations of anisotropic shapes and yields straighter sample trajectories compared to the single-variate diffusion. We also verify the scalability of the algorithm in real-world data and achieve competitive unconditional generation performance in CIFAR10 and conditional generation in time series modeling. Notably, VSDM no longer depends on warm-up initializations and has become tuning-friendly in training large-scale experiments.
Test-Time Augmentation for Traveling Salesperson Problem
Authors: Ryo Ishiyama, Takahiro Shirakawa, Seiichi Uchida, Shinnosuke Matsuo
Date: 2024-05-08 00:00:00
Tasks: Combinatorial Optimization

We propose Test-Time Augmentation (TTA) as an effective technique for addressing combinatorial optimization problems, including the Traveling Salesperson Problem. In general, deep learning models possessing the property of invariance, where the output is uniquely determined regardless of the node indices, have been proposed to learn graph structures efficiently. In contrast, we interpret the permutation of node indices, which exchanges the elements of the distance matrix, as a TTA scheme. The results demonstrate that our method is capable of obtaining shorter solutions than the latest models. Furthermore, we show that the probability of finding a solution closer to an exact solution increases depending on the augmentation size.
BiasKG: Adversarial Knowledge Graphs to Induce Bias in Large Language Models
Authors: Chu Fei Luo, Ahmad Ghawanmeh, Xiaodan Zhu, Faiza Khan Khattak
Date: 2024-05-08 00:00:00
Tasks: Knowledge Graphs, Language Modeling, Language Modelling, World Knowledge

Modern large language models (LLMs) have a significant amount of world knowledge, which enables strong performance in commonsense reasoning and knowledge-intensive tasks when harnessed properly. The language model can also learn social biases, which has a significant potential for societal harm. There have been many mitigation strategies proposed for LLM safety, but it is unclear how effective they are for eliminating social biases. In this work, we propose a new methodology for attacking language models with knowledge graph augmented generation. We refactor natural language stereotypes into a knowledge graph, and use adversarial attacking strategies to induce biased responses from several open- and closed-source language models. We find our method increases bias in all models, even those trained with safety guardrails. This demonstrates the need for further research in AI safety, and further work in this new adversarial space.
Conditional Local Feature Encoding for Graph Neural Networks
Authors: Yongze Wang, Haimin Zhang, Qiang Wu, Min Xu
Date: 2024-05-08 00:00:00
Tasks: Graph Classification, Graph Regression, Link Prediction, Node Classification

Graph neural networks (GNNs) have shown great success in learning from graph-based data. The key mechanism of current GNNs is message passing, where a node's feature is updated based on the information passing from its local neighbourhood. A limitation of this mechanism is that node features become increasingly dominated by the information aggregated from the neighbourhood as we use more rounds of message passing. Consequently, as the GNN layers become deeper, adjacent node features tends to be similar, making it more difficult for GNNs to distinguish adjacent nodes, thereby, limiting the performance of GNNs. In this paper, we propose conditional local feature encoding (CLFE) to help prevent the problem of node features being dominated by the information from local neighbourhood. The idea of our method is to extract the node hidden state embedding from message passing process and concatenate it with the nodes feature from previous stage, then we utilise linear transformation to form a CLFE based on the concatenated vector. The CLFE will form the layer output to better preserve node-specific information, thus help to improve the performance of GNN models. To verify the feasibility of our method, we conducted extensive experiments on seven benchmark datasets for four graph domain tasks: super-pixel graph classification, node classification, link prediction, and graph regression. The experimental results consistently demonstrate that our method improves model performance across a variety of baseline GNN models for all four tasks.
Causality Pursuit from Heterogeneous Environments via Neural Adversarial Invariance Learning
Authors: Yihong Gu, Cong Fang, Peter Bühlmann, Jianqing Fan
Date: 2024-05-07 00:00:00
Tasks: regression, scientific discovery, Transfer Learning

Pursuing causality from data is a fundamental problem in scientific discovery, treatment intervention, and transfer learning. This paper introduces a novel algorithmic method for addressing nonparametric invariance and causality learning in regression models across multiple environments, where the joint distribution of response variables and covariates varies, but the conditional expectations of outcome given an unknown set of quasi-causal variables are invariant. The challenge of finding such an unknown set of quasi-causal or invariant variables is compounded by the presence of endogenous variables that have heterogeneous effects across different environments. The proposed Focused Adversarial Invariant Regularization (FAIR) framework utilizes an innovative minimax optimization approach that drives regression models toward prediction-invariant solutions through adversarial testing. Leveraging the representation power of neural networks, FAIR neural networks (FAIR-NN) are introduced for causality pursuit. It is shown that FAIR-NN can find the invariant variables and quasi-causal variables under a minimal identification condition and that the resulting procedure is adaptive to low-dimensional composition structures in a non-asymptotic analysis. Under a structural causal model, variables identified by FAIR-NN represent pragmatic causality and provably align with exact causal mechanisms under conditions of sufficient heterogeneity. Computationally, FAIR-NN employs a novel Gumbel approximation with decreased temperature and a stochastic gradient descent ascent algorithm. The procedures are demonstrated using simulated and real-data examples.
Untangling Lariats: Subgradient Following of Variationally Penalized Objectives
Authors: Kai-Chia Mo, Shai Shalev-Shwartz, Nisæl Shártov
Date: 2024-05-07 00:00:00
Tasks: Temporal Sequences

We describe an apparatus for subgradient-following of the optimum of convex problems with variational penalties. In this setting, we receive a sequence $y_i,\ldots,y_n$ and seek a smooth sequence $x_1,\ldots,x_n$. The smooth sequence needs to attain the minimum Bregman divergence to an input sequence with additive variational penalties in the general form of $\sum_i{}g_i(x_{i+1}-x_i)$. We derive known algorithms such as the fused lasso and isotonic regression as special cases of our approach. Our approach also facilitates new variational penalties such as non-smooth barrier functions. We then derive a novel lattice-based procedure for subgradient following of variational penalties characterized through the output of arbitrary convolutional filters. This paradigm yields efficient solvers for high-order filtering problems of temporal sequences in which sparse discrete derivatives such as acceleration and jerk are desirable. We also introduce and analyze new multivariate problems in which $\mathbf{x}_i,\mathbf{y}_i\in\mathbb{R}^d$ with variational penalties that depend on $\|\mathbf{x}_{i+1}-\mathbf{x}_i\|$. The norms we consider are $\ell_2$ and $\ell_\infty$ which promote group sparsity.
Carbon Filter: Real-time Alert Triage Using Large Scale Clustering and Fast Search
Authors: Jonathan Oliver, Raghav Batta, Adam Bates, Muhammad Adil Inam, Shelly Mehta, Shugao Xia
Date: 2024-05-07 00:00:00

"Alert fatigue" is one of the biggest challenges faced by the Security Operations Center (SOC) today, with analysts spending more than half of their time reviewing false alerts. Endpoint detection products raise alerts by pattern matching on event telemetry against behavioral rules that describe potentially malicious behavior, but can suffer from high false positives that distract from actual attacks. While alert triage techniques based on data provenance may show promise, these techniques can take over a minute to inspect a single alert, while EDR customers may face tens of millions of alerts per day; the current reality is that these approaches aren't nearly scalable enough for production environments. We present Carbon Filter, a statistical learning based system that dramatically reduces the number of alerts analysts need to manually review. Our approach is based on the observation that false alert triggers can be efficiently identified and separated from suspicious behaviors by examining the process initiation context (e.g., the command line) that launched the responsible process. Through the use of fast-search algorithms for training and inference, our approach scales to millions of alerts per day. Through batching queries to the model, we observe a theoretical maximum throughput of 20 million alerts per hour. Based on the analysis of tens of million alerts from customer deployments, our solution resulted in a 6-fold improvement in the Signal-to-Noise ratio without compromising on alert triage performance.
Interpretable Tensor Fusion
Authors: Saurabh Varshneya, Antoine Ledent, Philipp Liznerski, Andriy Balinskyy, Purvanshi Mehta, Waleed Mustafa, Marius Kloft
Date: 2024-05-07 00:00:00

Conventional machine learning methods are predominantly designed to predict outcomes based on a single data type. However, practical applications may encompass data of diverse types, such as text, images, and audio. We introduce interpretable tensor fusion (InTense), a multimodal learning method for training neural networks to simultaneously learn multimodal data representations and their interpretable fusion. InTense can separately capture both linear combinations and multiplicative interactions of diverse data types, thereby disentangling higher-order interactions from the individual effects of each modality. InTense provides interpretability out of the box by assigning relevance scores to modalities and their associations. The approach is theoretically grounded and yields meaningful relevance scores on multiple synthetic and real-world datasets. Experiments on six real-world datasets show that InTense outperforms existing state-of-the-art multimodal interpretable approaches in terms of accuracy and interpretability.
Towards a Theoretical Understanding of the 'Reversal Curse' via Training Dynamics
Authors: Hanlin Zhu, Baihe Huang, Shaolun Zhang, Michael Jordan, Jiantao Jiao, Yuandong Tian, Stuart Russell
Date: 2024-05-07 00:00:00
Tasks: Logical Reasoning

Auto-regressive large language models (LLMs) show impressive capacities to solve many complex reasoning tasks while struggling with some simple logical reasoning tasks such as inverse search: when trained on '$A \to B$' (e.g., 'Tom is the parent of John'), LLM fails to directly conclude '$B \gets A$' (e.g., 'John is the child of Tom') during inference even if the two sentences are semantically identical, which is known as the 'reversal curse'. In this paper, we theoretically analyze the reversal curse via the training dynamics of (stochastic) gradient descent for two auto-regressive models: (1) a bilinear model that can be viewed as a simplification of a one-layer transformer; (2) one-layer transformers under certain assumptions. Our analysis reveals that for both models, the reversal curse is a consequence of the (effective) model weights 'asymmetry', i.e., the increase of weights from a token $A$ to token $B$ during training does not necessarily cause the increase of the weights from $B$ to $A$, which is caused by the training dynamics under certain choice of loss function and the optimization space of model parameters. Moreover, our analysis can be naturally applied to other logical reasoning tasks such as chain-of-thought (COT), which provides a new perspective different from previous work that focuses on expressivity. Finally, we conduct experiments to validate our theory on multi-layer transformers under different settings. Our code is available at https://github.com/marlo-z/reversal_curse_analysis/.
Data-driven Error Estimation: Upper Bounding Multiple Errors with No Technical Debt
Authors: Sanath Kumar Krishnamurthy, Susan Athey, Emma Brunskill
Date: 2024-05-07 00:00:00
Tasks: valid

We formulate the problem of constructing multiple simultaneously valid confidence intervals (CIs) as estimating a high probability upper bound on the maximum error for a class/set of estimate-estimand-error tuples, and refer to this as the error estimation problem. For a single such tuple, data-driven confidence intervals can often be used to bound the error in our estimate. However, for a class of estimate-estimand-error tuples, nontrivial high probability upper bounds on the maximum error often require class complexity as input -- limiting the practicality of such methods and often resulting in loose bounds. Rather than deriving theoretical class complexity-based bounds, we propose a completely data-driven approach to estimate an upper bound on the maximum error. The simple and general nature of our solution to this fundamental challenge lends itself to several applications including: multiple CI construction, multiple hypothesis testing, estimating excess risk bounds (a fundamental measure of uncertainty in machine learning) for any training/fine-tuning algorithm, and enabling the development of a contextual bandit pipeline that can leverage any reward model estimation procedure as input (without additional mathematical analysis).
Multi-Margin Cosine Loss: Proposal and Application in Recommender Systems
Authors: Makbule Gulcin Ozsoy
Date: 2024-05-07 00:00:00
Tasks: Collaborative Filtering, Contrastive Learning, Data Augmentation, Recommendation Systems

Recommender systems guide users through vast amounts of information by suggesting items based on their predicted preferences. Collaborative filtering-based deep learning techniques have regained popularity due to their straightforward nature, relying only on user-item interactions. Typically, these systems consist of three main components: an interaction module, a loss function, and a negative sampling strategy. Initially, researchers focused on enhancing performance by developing complex interaction modules. However, there has been a recent shift toward refining loss functions and negative sampling strategies. This shift has led to an increased interest in contrastive learning, which pulls similar pairs closer while pushing dissimilar ones apart. Contrastive learning may bring challenges like high memory demands and under-utilization of some negative samples. The proposed Multi-Margin Cosine Loss (MMCL) addresses these challenges by introducing multiple margins and varying weights for negative samples. It efficiently utilizes not only the hardest negatives but also other non-trivial negatives, offers a simpler yet effective loss function that outperforms more complex methods, especially when resources are limited. Experiments on two well-known datasets demonstrated that MMCL achieved up to a 20\% performance improvement compared to a baseline loss function when fewer number of negative samples are used.
Integrating knowledge-guided symbolic regression and model-based design of experiments to automate process flow diagram development
Authors: Alexander W. Rogers, Amanda Lane, Cesar Mendoza, Simon Watson, Adam Kowalski, Philip Martin, Dongda Zhang
Date: 2024-05-07 00:00:00
Tasks: Symbolic Regression

New products must be formulated rapidly to succeed in the global formulated product market; however, key product indicators (KPIs) can be complex, poorly understood functions of the chemical composition and processing history. Consequently, scale-up must currently undergo expensive trial-and-error campaigns. To accelerate process flow diagram (PFD) optimisation and knowledge discovery, this work proposed a novel digital framework to automatically quantify process mechanisms by integrating symbolic regression (SR) within model-based design of experiments (MBDoE). Each iteration, SR proposed a Pareto front of interpretable mechanistic expressions, and then MBDoE designed a new experiment to discriminate between them while balancing PFD optimisation. To investigate the framework's performance, a new process model capable of simulating general formulated product synthesis was constructed to generate in-silico data for different case studies. The framework could effectively discover ground-truth process mechanisms within a few iterations, indicating its great potential for use within the general chemical industry for digital manufacturing and product innovation.
Fast Decentralized Gradient Tracking for Federated Minimax Optimization with Local Updates
Authors: Chris Junchi Li
Date: 2024-05-07 00:00:00
Tasks: Federated Learning

Federated learning (FL) for minimax optimization has emerged as a powerful paradigm for training models across distributed nodes/clients while preserving data privacy and model robustness on data heterogeneity. In this work, we delve into the decentralized implementation of federated minimax optimization by proposing \texttt{K-GT-Minimax}, a novel decentralized minimax optimization algorithm that combines local updates and gradient tracking techniques. Our analysis showcases the algorithm's communication efficiency and convergence rate for nonconvex-strongly-concave (NC-SC) minimax optimization, demonstrating a superior convergence rate compared to existing methods. \texttt{K-GT-Minimax}'s ability to handle data heterogeneity and ensure robustness underscores its significance in advancing federated learning research and applications.
You Only Cache Once: Decoder-Decoder Architectures for Language Models
Authors: Yutao Sun, Li Dong, Yi Zhu, Shaohan Huang, Wenhui Wang, Shuming Ma, Quanlu Zhang, Jianyong Wang, Furu Wei
Date: 2024-05-08 00:00:00
Tasks: Decoder, GPU, Retrieval

We introduce a decoder-decoder architecture, YOCO, for large language models, which only caches key-value pairs once. It consists of two components, i.e., a cross-decoder stacked upon a self-decoder. The self-decoder efficiently encodes global key-value (KV) caches that are reused by the cross-decoder via cross-attention. The overall model behaves like a decoder-only Transformer, although YOCO only caches once. The design substantially reduces GPU memory demands, yet retains global attention capability. Additionally, the computation flow enables prefilling to early exit without changing the final output, thereby significantly speeding up the prefill stage. Experimental results demonstrate that YOCO achieves favorable performance compared to Transformer in various settings of scaling up model size and number of training tokens. We also extend YOCO to 1M context length with near-perfect needle retrieval accuracy. The profiling results show that YOCO improves inference memory, prefill latency, and throughput by orders of magnitude across context lengths and model sizes. Code is available at https://aka.ms/YOCO.