DeepNLP/ICML-2024-Accepted-Papers huggingface dataset:
Variational Schrödinger Diffusion Models
Authors: Wei Deng, Weijian Luo, Yixin Tan, Marin Biloš, Yu Chen, Yuriy Nevmyvaka, Ricky T. Q. Chen

Schrödinger 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 Schrödinger 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 required by SB.
Collaborative Learning with Different Labeling Functions
Authors: Yuyang Deng, Mingda Qiao

We study a variant of Collaborative PAC Learning, in which we aim to learn an accurate classifier for each of the $n$ data distributions, while minimizing the number of samples drawn from them in total. Unlike in the usual collaborative learning setup, it is not assumed that there exists a single classifier that is simultaneously accurate for all distributions. We show that, when the data distributions satisfy a weaker realizability assumption, which appeared in (Crammer & Mansour, 2012) in the context of multi-task learning, sample-efficient learning is still feasible. We give a learning algorithm based on Empirical Risk Minimization (ERM) on a natural augmentation of the hypothesis class, and the analysis relies on an upper bound on the VC dimension of this augmented class. In terms of the computational efficiency, we show that ERM on the augmented hypothesis class is $\mathsf{NP}$-hard, which gives evidence against the existence of computationally efficient learners in general. On the positive side, for two special cases, we give learners that are both sample- and computationally-efficient.
Exploring the Low-Pass Filtering Behavior in Image Super-Resolution
Authors: Haoyu Deng, Zijing Xu, Yule Duan, Xiao Wu, Wenjie Shu, Liang-Jian Deng

Deep neural networks for image super-resolution (ISR) have shown significant advantages over traditional approaches like the interpolation. However, they are often criticized as ’black boxes’ compared to traditional approaches with solid mathematical foundations. In this paper, we attempt to interpret the behavior of deep neural networks in ISR using theories from the field of signal processing. First, we report an intriguing phenomenon, referred to as ‘the sinc phenomenon.’ It occurs when an impulse input is fed to a neural network. Then, building on this observation, we propose a method named Hybrid Response Analysis (HyRA) to analyze the behavior of neural networks in ISR tasks. Specifically, HyRA decomposes a neural network into a parallel connection of a linear system and a non-linear system and demonstrates that the linear system functions as a low-pass filter while the non-linear system injects high-frequency information. Finally, to quantify the injected high-frequency information, we introduce a metric for image-to-image tasks called Frequency Spectrum Distribution Similarity (FSDS). FSDS reflects the distribution similarity of different frequency components and can capture nuances that traditional metrics may overlook. Code, videos and raw experimental results for this paper can be found in: https://github.com/RisingEntropy/LPFInISR.
Network Tight Community Detection
Authors: Jiayi Deng, Xiaodong Yang, Jun Yu, Jun Liu, Zhaiming Shen, Danyang Huang, Huimin Cheng

Conventional community detection methods often categorize all nodes into clusters. However, the presumed community structure of interest may only be valid for a subset of nodes (named as ‘tight nodes’), while the rest of the network may consist of noninformative “scattered nodes”. For example, a protein-protein network often contains proteins that do not belong to specific biological functional modules but are involved in more general processes, or act as bridges between different functional modules. Forcing each of these proteins into a single cluster introduces unwanted biases and obscures the underlying biological implication. To address this issue, we propose a tight community detection (TCD) method to identify tight communities excluding scattered nodes. The algorithm enjoys a strong theoretical guarantee of tight node identification accuracy and is scalable for large networks. The superiority of the proposed method is demonstrated by various synthetic and real experiments.
Going beyond Compositions, DDPMs Can Produce Zero-Shot Interpolations
Authors: Justin Deschenaux, Igor Krawczuk, Grigorios Chrysos, Volkan Cevher

Denoising Diffusion Probabilistic Models (DDPMs) exhibit remarkable capabilities in image generation, with studies suggesting that they can generalize by composing latent factors learned from the training data. In this work, we go further and study DDPMs trained on strictly separate subsets of the data distribution with large gaps on the support of the latent factors. We show that such a model can effectively generate images in the unexplored, intermediate regions of the distribution. For instance, when trained on clearly smiling and non-smiling faces, we demonstrate a sampling procedure which can generate slightly smiling faces without reference images (zero-shot interpolation). We replicate these findings for other attributes as well as other datasets. Our code is available on GitHub.
Multicalibration for Confidence Scoring in LLMs
Authors: Gianluca Detommaso, Martin Andres Bertran, Riccardo Fogliato, Aaron Roth

This paper proposes the use of "multicalibration": to yield interpretable and reliable confidence scores for outputs generated by large language models (LLMs). Multicalibration asks for calibration not just marginally, but simultaneously across various intersecting groupings of the data. We show how to form groupings for prompt/completion pairs that are correlated with the probability of correctness via two techniques: clustering within an embedding space, and "self-annotation" - querying the LLM by asking it various yes-or-no questions about the prompt. We also develop novel variants of multicalibration algorithms that offer performance improvements by reducing their tendency to overfit. Through systematic benchmarking across various question answering datasets and LLMs, we show how our techniques can yield confidence scores that provide substantial improvements in fine-grained measures of both calibration and accuracy compared to existing methods.
Contextualized Policy Recovery: Modeling and Interpreting Medical Decisions with Adaptive Imitation Learning
Authors: Jannik Deuschel, Caleb Ellington, Yingtao Luo, Ben Lengerich, Pascal Friederich, Eric P. Xing

Interpretable policy learning seeks to estimate intelligible decision policies from observed actions; however, existing models force a tradeoff between accuracy and interpretability, limiting data-driven interpretations of human decision-making processes. Fundamentally, existing approaches are burdened by this tradeoff because they represent the underlying decision process as a universal policy, when in fact human decisions are dynamic and can change drastically under different contexts. Thus, we develop Contextualized Policy Recovery (CPR), which re-frames the problem of modeling complex decision processes as a multi-task learning problem, where each context poses a unique task and complex decision policies can be constructed piece-wise from many simple context-specific policies. CPR models each context-specific policy as a linear map, and generates new policy models on-demand as contexts are updated with new observations. We provide two flavors of the CPR framework: one focusing on exact local interpretability, and one retaining full global interpretability. We assess CPR through studies on simulated and real data, achieving state-of-the-art performance on predicting antibiotic prescription in intensive care units ($+22$% AUROC vs. previous SOTA) and predicting MRI prescription for Alzheimer’s patients ($+7.7$% AUROC vs. previous SOTA). With this improvement, CPR closes the accuracy gap between interpretable and black-box methods, allowing high-resolution exploration and analysis of context-specific decision models.
Stability and Multigroup Fairness in Ranking with Uncertain Predictions
Authors: Siddartha Devic, Aleksandra Korolova, David Kempe, Vatsal Sharan

Rankings are ubiquitous across many applications, from search engines to hiring committees. In practice, many rankings are derived from the output of predictors. However, when predictors trained for classification tasks have intrinsic uncertainty, it is not obvious how this uncertainty should be represented in the derived rankings. Our work considers ranking functions: maps from individual predictions for a classification task to distributions over rankings. We focus on two aspects of ranking functions: stability to perturbations in predictions and fairness towards both individuals and subgroups. Not only is stability an important requirement for its own sake, but — as we show — it composes harmoniously with individual fairness in the sense of Dwork et al. (2012). While deterministic ranking functions cannot be stable aside from trivial scenarios, we show that the recently proposed uncertainty aware (UA) ranking functions of Singh et al. (2021) are stable. Our main result is that UA rankings also achieve group fairness through successful composition with multiaccurate or multicalibrated predictors. Our work demonstrates that UA rankings naturally interpolate between group and individual level fairness guarantees, while simultaneously satisfying stability guarantees important whenever machine-learned predictions are used.
Locally Interdependent Multi-Agent MDP: Theoretical Framework for Decentralized Agents with Dynamic Dependencies
Authors: Alex Deweese, Guannan Qu

Many multi-agent systems in practice are decentralized and have dynamically varying dependencies. There has been a lack of attempts in the literature to analyze these systems theoretically. In this paper, we propose and theoretically analyze a decentralized model with dynamically varying dependencies called the Locally Interdependent Multi-Agent MDP. This model can represent problems in many disparate domains such as cooperative navigation, obstacle avoidance, and formation control. Despite the intractability that general partially observable multi-agent systems suffer from, we propose three closed-form policies that are theoretically near-optimal in this setting and can be scalable to compute and store. Consequentially, we reveal a fundamental property of Locally Interdependent Multi-Agent MDP’s that the partially observable decentralized solution is exponentially close to the fully observable solution with respect to the visibility radius. We then discuss extensions of our closed-form policies to further improve tractability. We conclude by providing simulations to investigate some long horizon behaviors of our closed-form policies.
Bivariate Causal Discovery using Bayesian Model Selection
Authors: Anish Dhir, Samuel Power, Mark Van Der Wilk

Much of the causal discovery literature prioritises guaranteeing the identifiability of causal direction in statistical models. For structures within a Markov equivalence class, this requires strong assumptions which may not hold in real-world datasets, ultimately limiting the usability of these methods. Building on previous attempts, we show how to incorporate causal assumptions within the Bayesian framework. Identifying causal direction then becomes a Bayesian model selection problem. This enables us to construct models with realistic assumptions, and consequently allows for the differentiation between Markov equivalent causal structures. We analyse why Bayesian model selection works in situations where methods based on maximum likelihood fail. To demonstrate our approach, we construct a Bayesian non-parametric model that can flexibly model the joint distribution. We then outperform previous methods on a wide range of benchmark datasets with varying data generating assumptions.
Trust Regions for Explanations via Black-Box Probabilistic Certification
Authors: Amit Dhurandhar, Swagatam Haldar, Dennis Wei, Karthikeyan Natesan Ramamurthy

Given the black box nature of machine learning models, a plethora of explainability methods have been developed to decipher the factors behind individual decisions. In this paper, we introduce a novel problem of black box (probabilistic) explanation certification. We ask the question: Given a black box model with only query access, an explanation for an example and a quality metric (viz. fidelity, stability), can we find the largest hypercube (i.e., $\ell_{\infty}$ ball) centered at the example such that when the explanation is applied to all examples within the hypercube, (with high probability) a quality criterion is met (viz. fidelity greater than some value)? Being able to efficiently find such a trust region has multiple benefits: i) insight into model behavior in a region, with a guarantee; ii) ascertained stability of the explanation; iii) explanation reuse, which can save time, energy and money by not having to find explanations for every example; and iv) a possible meta-metric to compare explanation methods. Our contributions include formalizing this problem, proposing solutions, providing theoretical guarantees for these solutions that are computable, and experimentally showing their efficacy on synthetic and real data.
Double Stochasticity Gazes Faster: Snap-Shot Decentralized Stochastic Gradient Tracking Methods
Authors: Hao Di, Haishan Ye, Xiangyu Chang, Guang Dai, Ivor Tsang

In decentralized optimization, $m$ agents form a network and only communicate with their neighbors, which gives advantages in data ownership, privacy, and scalability. At the same time, decentralized stochastic gradient descent ($\texttt{SGD}$) methods, as popular decentralized algorithms for training large-scale machine learning models, have shown their superiority over centralized counterparts. Distributed stochastic gradient tracking $\texttt{DSGT}$ has been recognized as the popular and state-of-the-art decentralized $\texttt{SGD}$ method due to its proper theoretical guarantees. However, the theoretical analysis of $\texttt{DSGT}$ shows that its iteration complexity is $\tilde{\mathcal{O}} \left(\frac{\bar{\sigma}^2}{m\mu \varepsilon} + \frac{\sqrt{L}\bar{\sigma}}{\mu(1 - \lambda_2(W))^{1/2} C_W \sqrt{\varepsilon} }\right)$, where the doubly stochastic matrix $W$ represents the network topology and $ C_W $ is a parameter that depends on $W$. Thus, it indicates that the convergence property of $\texttt{DSGT}$ is heavily affected by the topology of the communication network. To overcome the weakness of $\texttt{DSGT}$, we resort to the snap-shot gradient tracking skill and propose two novel algorithms, snap-shot $\texttt{DSGT}$ ($\texttt{SS-DSGT}$) and accelerated snap-shot $\texttt{DSGT}$ ($\texttt{ASS-DSGT}$). We further justify that $\texttt{SS-DSGT}$ exhibits a lower iteration complexity compared to $\texttt{DSGT}$ in the general communication network topology. Additionally, $\texttt{ASS-DSGT}$ matches $\texttt{DSGT}$’s iteration complexity $\mathcal{O}\left( \frac{\bar{\sigma}^2}{m\mu \varepsilon} + \frac{\sqrt{L}\bar{\sigma}}{\mu (1 - \lambda_2(W))^{1/2}\sqrt{\varepsilon}} \right)$ under the same conditions as $\texttt{DSGT}$. Numerical experiments validate $\texttt{SS-DSGT}$’s superior performance performance in the general communication network topology and exhibit better practical performance of $\texttt{ASS-DSGT}$ on the specified $W$ compared to $\texttt{DSGT}$.
Double Variance Reduction: A Smoothing Trick for Composite Optimization Problems without First-Order Gradient
Authors: Hao Di, Haishan Ye, Yueling Zhang, Xiangyu Chang, Guang Dai, Ivor Tsang

Variance reduction techniques are designed to decrease the sampling variance, thereby accelerating convergence rates of first-order (FO) and zeroth-order (ZO) optimization methods. However, in composite optimization problems, ZO methods encounter an additional variance called the coordinate-wise variance, which stems from the random gradient estimation. To reduce this variance, prior works require estimating all partial derivatives, essentially approximating FO information. This approach demands $\mathcal{O}(d)$ function evaluations ($d$ is the dimension size), which incurs substantial computational costs and is prohibitive in high-dimensional scenarios. This paper proposes the Zeroth-order Proximal Double Variance Reduction ($\texttt{ZPDVR}$) method, which utilizes the averaging trick to reduce both sampling and coordinate-wise variances. Compared to prior methods, $\texttt{ZPDVR}$ relies solely on random gradient estimates, calls the stochastic zeroth-order oracle (SZO) in expectation $\mathcal{O}(1)$ times per iteration, and achieves the optimal $\mathcal{O}(d(n + \kappa)\log (\frac{1}{\epsilon}))$ SZO query complexity in the strongly convex and smooth setting, where $\kappa$ represents the condition number and $\epsilon$ is the desired accuracy. Empirical results validate $\texttt{ZPDVR}$’s linear convergence and demonstrate its superior performance over other related methods.
Robust Sparse Estimation for Gaussians with Optimal Error under Huber Contamination
Authors: Ilias Diakonikolas, Daniel Kane, Sushrut Karmalkar, Ankit Pensia, Thanasis Pittas

We study Gaussian sparse estimation tasks in Huber’s contamination model with a focus on mean estimation, PCA, and linear regression. For each of these tasks, we give the first sample and computationally efficient robust estimators with optimal error guarantees, within constant factors. All prior efficient algorithms for these tasks incur quantitatively suboptimal error. Concretely, for Gaussian robust $k$-sparse mean estimation on $\mathbb{R}^d$ with corruption rate $\epsilon>0$, our algorithm has sample complexity $(k^2/\epsilon ^2)\mathrm{polylog}(d/\epsilon)$, runs in sample polynomial time, and approximates the target mean within $\ell_2$-error $O(\epsilon)$. Previous efficient algorithms inherently incur error $\Omega(\epsilon \sqrt{\log(1/\epsilon)})$. At the technical level, we develop a novel multidimensional filtering method in the sparse regime that may find other applications.
Fast Co-Training under Weak Dependence via Stream-Based Active Learning
Authors: Ilias Diakonikolas, Mingchen Ma, Lisheng Ren, Christos Tzamos

Co-training is a classical semi-supervised learning method which only requires a small number of labeled examples for learning, under reasonable assumptions. Despite extensive literature on the topic, very few hypothesis classes are known to be provably efficiently learnable via co-training, even under very strong distributional assumptions. In this work, we study the co-training problem in the stream-based active learning model. We show that a range of natural concept classes are efficiently learnable via co-training, in terms of both label efficiency and computational efficiency. We provide an efficient reduction of co-training under the standard assumption of weak dependence, in the stream-based active model, to online classification. As a corollary, we obtain efficient co-training algorithms with error independent label complexity for every concept class class efficiently learnable in the mistake bound online model. Our framework also gives co-training algorithms with label complexity $\tilde{O}(d\log (1/\epsilon))$ for any concept class with VC dimension $d$, though in general this reduction is not computationally efficient. Finally, using additional ideas from online learning, we design the first efficient co-training algorithms with label complexity $\tilde{O}(d^2\log (1/\epsilon))$ for several concept classes, including unions of intervals and homogeneous halfspaces.
Convex and Bilevel Optimization for Neural-Symbolic Inference and Learning
Authors: Charles Andrew Dickens, Changyu Gao, Connor Pryor, Stephen Wright, Lise Getoor

We leverage convex and bilevel optimization techniques to develop a general gradient-based parameter learning framework for neural-symbolic (NeSy) systems. We demonstrate our framework with NeuPSL, a state-of-the-art NeSy architecture. To achieve this, we propose a smooth primal and dual formulation of NeuPSL inference and show learning gradients are functions of the optimal dual variables. Additionally, we develop a dual block coordinate descent algorithm for the new formulation that naturally exploits warm-starts. This leads to over $100 \times$ learning runtime improvements over the current best NeuPSL inference method. Finally, we provide extensive empirical evaluations across $8$ datasets covering a range of tasks and demonstrate our learning framework achieves up to a $16$% point prediction performance improvement over alternative learning methods.
Structure Your Data: Towards Semantic Graph Counterfactuals
Authors: Angeliki Dimitriou, Maria Lymperaiou, Georgios Filandrianos, Konstantinos Thomas, Giorgos Stamou

Counterfactual explanations (CEs) based on concepts are explanations that consider alternative scenarios to understand which high-level semantic features contributed to particular model predictions. In this work, we propose CEs based on the semantic graphs accompanying input data to achieve more descriptive, accurate, and human-aligned explanations. Building upon state-of-the-art (SotA) conceptual attempts, we adopt a model-agnostic edit-based approach and introduce leveraging GNNs for efficient Graph Edit Distance (GED) computation. With a focus on the visual domain, we represent images as scene graphs and obtain their GNN embeddings to bypass solving the NP-hard graph similarity problem for all input pairs, an integral part of CE computation process. We apply our method to benchmark and real-world datasets with varying difficulty and availability of semantic annotations. Testing on diverse classifiers, we find that our CEs outperform previous SotA explanation models based on semantics, including both white and black-box as well as conceptual and pixel-level approaches. Their superiority is proven quantitatively and qualitatively, as validated by human subjects, highlighting the significance of leveraging semantic edges in the presence of intricate relationships. Our model-agnostic graph-based approach is widely applicable and easily extensible, producing actionable explanations across different contexts. The code is available at https://github.com/aggeliki-dimitriou/SGCE.