mtybilly/Instruct2DS huggingface dataset:
Likelihood-Based Diffusion Language Models
Authors: Ishaan Gulrajani, Tatsunori B Hashimoto
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Despite a growing interest in diffusion-based language models, existing work has not shown that these models can attain nontrivial likelihoods on standard language modeling benchmarks. In this work, we take the first steps towards closing the likelihood gap between autoregressive and diffusion-based language models, with the goal of building and releasing a diffusion model which outperforms a small but widely-known autoregressive model. We pursue this goal through algorithmic improvements, scaling laws, and increased compute. On the algorithmic front, we introduce several methodological improvements for the maximum-likelihood training of diffusion language models. We then study scaling laws for our diffusion models and find compute-optimal training regimes which differ substantially from autoregressive models. Using our methods and scaling analysis, we train and release Plaid 1B, a large diffusion language model which outperforms GPT-2 124M in likelihood on benchmark datasets and generates fluent samples in unconditional and zero-shot control settings.
Structural Pruning for Diffusion Models
Authors: Gongfan Fang, Xinyin Ma, Xinchao Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generative modeling has recently undergone remarkable advancements, primarily propelled by the transformative implications of Diffusion Probabilistic Models (DPMs). The impressive capability of these models, however, often entails significant computational overhead during both training and inference. To tackle this challenge, we present Diff-Pruning, an efficient compression method tailored for learning lightweight diffusion models from pre-existing ones, without the need for extensive re-training. The essence of Diff-Pruning is encapsulated in a Taylor expansion over pruned timesteps, a process that disregards non-contributory diffusion steps and ensembles informative gradients to identify important weights. Our empirical assessment, undertaken across several datasets highlights two primary benefits of our proposed method: 1) Efficiency: it enables approximately a 50\% reduction in FLOPs at a mere 10% to 20% of the original training expenditure; 2) Consistency: the pruned diffusion models inherently preserve generative behavior congruent with their pre-trained models.
Fast and Regret Optimal Best Arm Identification: Fundamental Limits and Low-Complexity Algorithms
Authors: Qining Zhang, Lei Ying
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper considers a stochastic Multi-Armed Bandit (MAB) problem with dual objectives: (i) quick identification and commitment to the optimal arm, and (ii) reward maximization throughout a sequence of $T$ consecutive rounds. Though each objective has been individually well-studied, i.e., best arm identification for (i) and regret minimization for (ii), the simultaneous realization of both objectives remains an open problem, despite its practical importance. This paper introduces \emph{Regret Optimal Best Arm Identification} (ROBAI) which aims to achieve these dual objectives. To solve ROBAI with both pre-determined stopping time and adaptive stopping time requirements, we present an algorithm called EOCP and its variants respectively, which not only achieve asymptotic optimal regret in both Gaussian and general bandits, but also commit to the optimal arm in $\mathcal{O}(\log T)$ rounds with pre-determined stopping time and $\mathcal{O}(\log^2 T)$ rounds with adaptive stopping time. We further characterize lower bounds on the commitment time (equivalent to the sample complexity) of ROBAI, showing that EOCP and its variants are sample optimal with pre-determined stopping time, and almost sample optimal with adaptive stopping time. Numerical results confirm our theoretical analysis and reveal an interesting ``over-exploration'' phenomenon carried by classic UCB algorithms, such that EOCP has smaller regret even though it stops exploration much earlier than UCB, i.e., $\mathcal{O}(\log T)$ versus $\mathcal{O}(T)$, which suggests over-exploration is unnecessary and potentially harmful to system performance.
Simultaneous embedding of multiple attractor manifolds in a recurrent neural network using constrained gradient optimization
Authors: Haggai Agmon, Yoram Burak
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The storage of continuous variables in working memory is hypothesized to be sustained in the brain by the dynamics of recurrent neural networks (RNNs) whose steady states form continuous manifolds. In some cases, it is thought that the synaptic connectivity supports multiple attractor manifolds, each mapped to a different context or task. For example, in hippocampal area CA3, positions in distinct environments are represented by distinct sets of population activity patterns, each forming a continuum. It has been argued that the embedding of multiple continuous attractors in a single RNN inevitably causes detrimental interference: quenched noise in the synaptic connectivity disrupts the continuity of each attractor, replacing it by a discrete set of steady states that can be conceptualized as lying on local minima of an abstract energy landscape. Consequently, population activity patterns exhibit systematic drifts towards one of these discrete minima, thereby degrading the stored memory over time. Here we show that it is possible to dramatically attenuate these detrimental interference effects by adjusting the synaptic weights. Synaptic weight adjustment are derived from a loss function that quantifies the roughness of the energy landscape along each of the embedded attractor manifolds. By minimizing this loss function, the stability of states can be dramatically improved, without compromising the capacity.
Enhancing Adversarial Contrastive Learning via Adversarial Invariant Regularization
Authors: Xilie Xu, Jingfeng ZHANG, Feng Liu, Masashi Sugiyama, Mohan S Kankanhalli
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Adversarial contrastive learning (ACL) is a technique that enhances standard contrastive learning (SCL) by incorporating adversarial data to learn a robust representation that can withstand adversarial attacks and common corruptions without requiring costly annotations. To improve transferability, the existing work introduced the standard invariant regularization (SIR) to impose style-independence property to SCL, which can exempt the impact of nuisance style factors in the standard representation. However, it is unclear how the style-independence property benefits ACL-learned robust representations. In this paper, we leverage the technique of causal reasoning to interpret the ACL and propose adversarial invariant regularization (AIR) to enforce independence from style factors. We regulate the ACL using both SIR and AIR to output the robust representation. Theoretically, we show that AIR implicitly encourages the representational distance between different views of natural data and their adversarial variants to be independent of style factors. Empirically, our experimental results show that invariant regularization significantly improves the performance of state-of-the-art ACL methods in terms of both standard generalization and robustness on downstream tasks. To the best of our knowledge, we are the first to apply causal reasoning to interpret ACL and develop AIR for enhancing ACL-learned robust representations. Our source code is at https://github.com/GodXuxilie/EnhancingACLvia_AIR.
Best Arm Identification with Fixed Budget: A Large Deviation Perspective
Authors: Po-An Wang, Ruo-Chun Tzeng, Alexandre Proutiere
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of identifying the best arm in stochastic Multi-Armed Bandits (MABs) using a fixed sampling budget. Characterizing the minimal instance-specific error probability for this problem constitutes one of the important remaining open problems in MABs. When arms are selected using a static sampling strategy, the error probability decays exponentially with the number of samples at a rate that can be explicitly derived via Large Deviation techniques. Analyzing the performance of algorithms with adaptive sampling strategies is however much more challenging. In this paper, we establish a connection between the Large Deviation Principle (LDP) satisfied by the empirical proportions of arm draws and that satisfied by the empirical arm rewards. This connection holds for any adaptive algorithm, and is leveraged (i) to improve error probability upper bounds of some existing algorithms, such as the celebrated SR (Successive Rejects) algorithm \cite{audibert2010best}, and (ii) to devise and analyze new algorithms. In particular, we present CR (Continuous Rejects), a truly adaptive algorithm that can reject arms in {\it any} round based on the observed empirical gaps between the rewards of various arms. Applying our Large Deviation results, we prove that CR enjoys better performance guarantees than existing algorithms, including SR. Extensive numerical experiments confirm this observation.
Full-Atom Protein Pocket Design via Iterative Refinement
Authors: ZAIXI ZHANG, Zepu Lu, Hao Zhongkai, Marinka Zitnik, Qi Liu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The design of \emph{de novo} functional proteins that bind with specific ligand molecules is crucial in various domains like therapeutics and bio-engineering. One vital yet challenging step is to design the protein pocket, the cavity region of protein where the ligand binds with. Existing methods suffer from inefficient generation, insufficient context modeling (ligand molecule), and incapability of generating sidechain atoms. To overcome the limitations, we propose a \textbf{F}ull-\textbf{A}tom \textbf{I}terative \textbf{R}efinement framework (\textbf{FAIR}) for protein pocket sequence (i.e., residue types) and 3D structure co-design. Generally, FAIR consists of two steps that follow a coarse-to-fine pipeline (backbone atoms to full atoms including sidechain) for full-atom generation. For efficiency, all residue types and structures are updated together in each round (i.e., full-shot refinement). In the first step, the residue types and backbone coordinates are updated with a hierarchical context encoder and two structure refinement modules capturing inter-residue and pocket-ligand interactions. The second step further models the sidechain atoms of pockets and updates residue types to achieve sequence-structure consistency. The structure of the binding ligand is also updated along with the above refinement iterations accounting for its flexibility. Finally, extensive evaluations showthat FAIR outperforms baselines in efficiently designing high-quality pocket sequences and structures. Specifically, the average improvements on AAR and RMSD are over 10$\%$.
Flow Matching for Scalable Simulation-Based Inference
Authors: Jonas Wildberger, Maximilian Dax, Simon Buchholz, Stephen Green, Jakob H Macke, Bernhard Schölkopf
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural posterior estimation methods based on discrete normalizing flows have become established tools for simulation-based inference (SBI), but scaling them to high-dimensional problems can be challenging. Building on recent advances in generative modeling, we here present flow matching posterior estimation (FMPE), a technique for SBI using continuous normalizing flows. Like diffusion models, and in contrast to discrete flows, flow matching allows for unconstrained architectures, providing enhanced flexibility for complex data modalities. Flow matching, therefore, enables exact density evaluation, fast training, and seamless scalability to large architectures---making it ideal for SBI. We show that FMPE achieves competitive performance on an established SBI benchmark, and then demonstrate its improved scalability on a challenging scientific problem: for gravitational-wave inference, FMPE outperforms methods based on comparable discrete flows, reducing training time by 30\% with substantially improved accuracy. Our work underscores the potential of FMPE to enhance performance in challenging inference scenarios, thereby paving the way for more advanced applications to scientific problems.
Learning DAGs from Data with Few Root Causes
Authors: Panagiotis Misiakos, Chris Wendler, Markus Püschel
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a novel perspective and algorithm for learning directed acyclic graphs (DAGs) from data generated by a linear structural equation model (SEM). First, we show that a linear SEM can be viewed as a linear transform that, in prior work, computes the data from a dense input vector of random valued root causes (as we will call them) associated with the nodes. Instead, we consider the case of (approximately) few root causes and also introduce noise in the measurement of the data. Intuitively, this means that the DAG data is produced by few data generating events whose effect percolates through the DAG. We prove identifiability in this new setting and show that the true DAG is the global minimizer of the $L^0$-norm of the vector of root causes. For data satisfying the few root causes assumption, we show superior performance compared to prior DAG learning methods.
Robust Learning for Smoothed Online Convex Optimization with Feedback Delay
Authors: Pengfei Li, Jianyi Yang, Adam Wierman, Shaolei Ren
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study a general form of Smoothed Online Convex Optimization, a.k.a. SOCO, including multi-step switching costs and feedback delay. We propose a novel machine learning (ML) augmented online algorithm, Robustness-Constrained Learning (RCL), which combines untrusted ML predictions with a trusted expert online algorithm via constrained projection to robustify the ML prediction. Specifically, we prove that RCL is able to guarantee $(1+\lambda)$-competitiveness against any given expert for any $\lambda>0$, while also explicitly training the ML model in a robustification-aware manner to improve the average-case performance. Importantly, RCL is the first ML-augmented algorithm with a provable robustness guarantee in the case of multi-step switching cost and feedback delay. We demonstrate the improvement of RCL in both robustness and average performance using battery management as a case study.
Scalarization for Multi-Task and Multi-Domain Learning at Scale
Authors: Amelie Royer, Tijmen Blankevoort, Babak Ehteshami Bejnordi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Training a single model on multiple input domains and/or output tasks allows for compressing information from multiple sources into a unified backbone hence improves model efficiency. It also enables potential positive knowledge transfer across tasks/domains, leading to improved accuracy and data-efficient training. However, optimizing such networks is a challenge, in particular due to discrepancies between the different tasks or domains: Despite several hypotheses and solutions proposed over the years, recent work has shown that uniform scalarization training, i.e., simply minimizing the average of the task losses,  yields on-par performance with more costly SotA optimization methods. This raises the issue of how well we understand the training dynamics of multi-task and multi-domain networks. In this work, we first devise a large-scale unified analysis of multi-domain and multi-task learning to better understand the dynamics of scalarization across varied task/domain combinations and model sizes. Following these insights, we then propose to leverage population-based training to efficiently search for the optimal scalarization weights when dealing with a large number of tasks or domains.
Causal discovery from observational and interventional data across multiple environments
Authors: Adam Li, Amin Jaber, Elias Bareinboim
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A fundamental problem in many sciences is the learning of causal structure underlying a system, typically through observation and experimentation. Commonly, one even collects data across multiple domains, such as gene sequencing from different labs, or neural recordings from different species. Although there exist methods for learning the equivalence class of causal diagrams from observational and experimental data, they are meant to operate in a single domain. In this paper, we develop a fundamental approach to structure learning in non-Markovian systems (i.e. when there exist latent confounders) leveraging observational and interventional data collected from multiple domains. Specifically, we start by showing that learning from observational data in multiple domains is equivalent to learning from interventional data with unknown targets in a single domain. But there are also subtleties when considering observational and experimental data. Using causal invariances derived from do-calculus, we define a property called S-Markov that connects interventional distributions from multiple-domains to graphical criteria on a selection diagram. Leveraging the S-Markov property, we introduce a new constraint-based causal discovery algorithm, S-FCI, that can learn from observational and interventional data from different domains. We prove that the algorithm is sound and subsumes existing constraint-based causal discovery algorithms.
Beyond Normal: On the Evaluation of Mutual Information Estimators
Authors: Paweł Czyż, Frederic Grabowski, Julia Vogt, Niko Beerenwinkel, Alexander Marx
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Mutual information is a general statistical dependency measure which has found applications in representation learning, causality, domain generalization and computational biology. However, mutual information estimators are typically evaluated on simple families of probability distributions, namely multivariate normal distribution and selected distributions with one-dimensional random variables. In this paper, we show how to construct a diverse family of distributions with known ground-truth mutual information and propose a language-independent benchmarking platform for mutual information estimators. We discuss the general applicability and limitations of classical and neural estimators in settings involving high dimensions, sparse interactions, long-tailed distributions, and high mutual information. Finally, we provide guidelines for practitioners on how to select appropriate estimator adapted to the difficulty of problem considered and issues one needs to consider when applying an estimator to a new data set.
Structured Semidefinite Programming for Recovering Structured Preconditioners
Authors: Arun Jambulapati, Jerry Li, Christopher Musco, Kirankumar Shiragur, Aaron Sidford, Kevin Tian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We develop a general framework for finding approximately-optimal preconditioners for solving linear systems. Leveraging this framework we obtain improved runtimes for fundamental preconditioning and linear system solving problems including:Diagonal preconditioning. We give an algorithm which, given positive definite $\mathbf{K} \in \mathbb{R}^{d \times d}$ with $\mathrm{nnz}(\mathbf{K})$ nonzero entries, computes an $\epsilon$-optimal diagonal preconditioner in time $\widetilde{O}(\mathrm{nnz}(\mathbf{K}) \cdot \mathrm{poly}(\kappa^\star,\epsilon^{-1}))$, where $\kappa^\star$ is the optimal condition number of the rescaled matrix.Structured linear systems. We give an algorithm which, given $\mathbf{M} \in \mathbb{R}^{d \times d}$ that is either the pseudoinverse of a graph Laplacian matrix or a constant spectral approximation of one, solves linear systems in $\mathbf{M}$ in $\widetilde{O}(d^2)$ time. Our diagonal preconditioning results improve state-of-the-art runtimes of $\Omega(d^{3.5})$ attained by general-purpose semidefinite programming, and our solvers improve state-of-the-art runtimes of $\Omega(d^{\omega})$ where $\omega > 2.3$ is the current matrix multiplication constant. We attain our results via new algorithms for a class of semidefinite programs (SDPs) we call matrix-dictionary approximation SDPs, which we leverage to solve an associated problem we call matrix-dictionary recovery.
Certifiably Robust Graph Contrastive Learning
Authors: Minhua Lin, Teng Xiao, Enyan Dai, Xiang Zhang, Suhang Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph Contrastive Learning (GCL) has emerged as a popular unsupervised graph representation learning method. However, it has been shown that GCL is vulnerable to adversarial attacks on both the graph structure and node attributes. Although empirical approaches have been proposed to enhance the robustness of GCL, the certifiable robustness of GCL is still remain unexplored. In this paper, we develop the first certifiably robust framework in GCL. Specifically, we first propose a unified criteria to evaluate and certify the robustness of GCL. We then introduce a novel technique, RES (Randomized Edgedrop Smoothing), to ensure certifiable robustness for any GCL model, and this certified robustness can be provably preserved in downstream tasks. Furthermore, an effective training method is proposed for robust GCL. Extensive experiments on real-world datasets demonstrate the effectiveness of our proposed method in providing effective certifiable robustness and enhancing the robustness of any GCL model. The source code of RES is available at https://github.com/ventr1c/RES-GCL.
FACE: Evaluating Natural Language Generation with Fourier Analysis of Cross-Entropy
Authors: Zuhao Yang, Yingfang Yuan, Yang Xu, SHUO ZHAN, Huajun Bai, Kefan Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Measuring the distance between machine-produced and human language is a critical open problem. Inspired by empirical findings from psycholinguistics on the periodicity of entropy in language, we propose FACE, a set of metrics based on Fourier Analysis of the estimated Cross-Entropy of language, for measuring the similarity between model-generated and human-written languages. Based on an open-ended generation task and the experimental data from previous studies, we find that FACE can effectively identify the human-model gap, scales with model size, reflects the outcomes of different sampling methods for decoding, correlates well with other evaluation metrics and with human judgment scores.
3D Copy-Paste: Physically Plausible Object Insertion for Monocular 3D Detection
Authors: Yunhao Ge, Hong-Xing Yu, Cheng Zhao, Yuliang Guo, Xinyu Huang, Liu Ren, Laurent Itti, Jiajun Wu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A major challenge in monocular 3D object detection is the limited diversity and quantity of objects in real datasets. While augmenting real scenes with virtual objects holds promise to improve both the diversity and quantity of the objects, it remains elusive due to the lack of an effective 3D object insertion method in complex real captured scenes. In this work, we study augmenting complex real indoor scenes with virtual objects for monocular 3D object detection. The main challenge is to automatically identify plausible physical properties for virtual assets (e.g., locations, appearances, sizes, etc.) in cluttered real scenes. To address this challenge, we propose a physically plausible indoor 3D object insertion approach to automatically copy virtual objects and paste them into real scenes. The resulting objects in scenes have 3D bounding boxes with plausible physical locations and appearances. In particular, our method first identifies physically feasible locations and poses for the inserted objects to prevent collisions with the existing room layout. Subsequently, it estimates spatially-varying illumination for the insertion location, enabling the immersive blending of the virtual objects into the original scene with plausible appearances and cast shadows. We show that our augmentation method significantly improves existing monocular 3D object models and achieves state-of-the-art performance. For the first time, we demonstrate that a physically plausible 3D object insertion, serving as a generative data augmentation technique, can lead to significant improvements for discriminative downstream tasks such as monocular 3D object detection. Project website: https://gyhandy.github.io/3D-Copy-Paste/.
Laughing Hyena Distillery: Extracting Compact Recurrences From Convolutions
Authors: Stefano Massaroli, Michael Poli, Dan Fu, Hermann Kumbong, Rom Parnichkun, David Romero, Aman Timalsina, Quinn McIntyre, Beidi Chen, Atri Rudra, Ce Zhang, Christopher Ré, Stefano Ermon, Yoshua Bengio
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent advances in attention-free sequence models rely on convolutions as alternatives to the attention operator at the core of Transformers. In particular, long convolution sequence models have achieved state-of-the-art performance in many domains, but incur a significant cost during auto-regressive inference workloads -- naively requiring a full pass (or caching of activations) over the input sequence for each generated token -- similarly to attention-based models. In this paper, we seek to enable $\mathcal O(1)$ compute and memory cost per token in any pre-trained long convolution architecture to reduce memory footprint and increase throughput during generation. Concretely, our methods consist in extracting low-dimensional linear state-space models from each convolution layer, building upon rational interpolation and model-order reduction techniques. We further introduce architectural improvements to convolution-based layers such as Hyena: by weight-tying the filters across channels into heads, we achieve higher pre-training quality and reduce the number of filters to be distilled. The resulting model achieves 10x higher throughput than Transformers and 1.5x higher than Hyena at 1.3B parameters, without any loss in quality after distillation.
Incomplete Multimodality-Diffused Emotion Recognition
Authors: Yuanzhi Wang, Yong Li, Zhen Cui
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Human multimodal emotion recognition (MER) aims to perceive and understand human emotions via various heterogeneous modalities, such as language, vision, and acoustic. Compared with unimodality, the complementary information in the multimodalities facilitates robust emotion understanding. Nevertheless,  in real-world scenarios, the missing modalities hinder multimodal understanding and result in degraded MER performance. In this paper, we propose an Incomplete Multimodality-Diffused emotion recognition (IMDer) method to mitigate the challenge of MER under incomplete multimodalities. To recover the missing modalities, IMDer exploits the score-based diffusion model that maps the input Gaussian noise into the desired distribution space of the missing modalities and recovers missing data abided by their original distributions. Specially, to reduce semantic ambiguity between the missing and the recovered modalities, the available modalities are embedded as the condition to guide and refine the diffusion-based recovering process. In contrast to previous work,  the diffusion-based modality recovery mechanism in IMDer allows to simultaneously reach both distribution consistency and semantic disambiguation. Feature visualization of the recovered modalities illustrates the consistent modality-specific distribution and semantic alignment. Besides, quantitative experimental results verify that IMDer obtains state-of-the-art MER accuracy under various missing modality patterns.
Diffusion-Based Probabilistic Uncertainty Estimation for Active Domain Adaptation
Authors: Zhekai Du, Jingjing Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Active Domain Adaptation (ADA) has emerged as an attractive technique for assisting domain adaptation by actively annotating a small subset of target samples. Most ADA methods focus on measuring the target representativeness beyond traditional active learning criteria to handle the domain shift problem, while leaving the uncertainty estimation to be performed by an uncalibrated deterministic model. In this work, we introduce a probabilistic framework that captures both data-level and prediction-level uncertainties beyond a point estimate. Specifically, we use variational inference to approximate the joint posterior distribution of latent representation and model prediction. The variational objective of labeled data can be formulated by a variational autoencoder and a latent diffusion classifier, and the objective of unlabeled data can be implemented in a knowledge distillation framework. We utilize adversarial learning to ensure an invariant latent space. The resulting diffusion classifier enables efficient sampling of all possible predictions for each individual to recover the predictive distribution. We then leverage a t-test-based criterion upon the sampling and select informative unlabeled target samples based on the p-value, which encodes both prediction variability and cross-category ambiguity. Experiments on both ADA and Source-Free ADA settings show that our method provides more calibrated predictions than previous ADA methods and achieves favorable performance on three domain adaptation datasets.
Augmented Memory Replay-based Continual Learning Approaches for Network Intrusion Detection
Authors: suresh kumar amalapuram, Sumohana Channappayya, Bheemarjuna Reddy Tamma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Intrusion detection is a form of anomalous activity detection in communication network traffic. Continual learning (CL) approaches to the intrusion detection task accumulate old knowledge while adapting to the latest threat knowledge. Previous works have shown the effectiveness of memory replay-based CL approaches for this task. In this work, we present two novel contributions to improve the performance of CL-based network intrusion detection in the context of class imbalance and scalability. First, we extend class balancing reservoir sampling (CBRS), a memory-based CL method, to address the problems of severe class imbalance for large datasets. Second, we propose a novel approach titled perturbation assistance for parameter approximation (PAPA) based on the Gaussian mixture model to reduce the number of \textit{virtual stochastic gradient descent (SGD) parameter} computations needed to discover maximally interfering samples for CL. We demonstrate that the proposed approaches perform remarkably better than the baselines on standard intrusion detection benchmarks created over shorter periods (KDDCUP'99, NSL-KDD, CICIDS-2017/2018, UNSW-NB15, and CTU-13) and a longer period with distribution shift (AnoShift). We also validated proposed approaches on standard continual learning benchmarks (SVHN, CIFAR-10/100, and CLEAR-10/100) and anomaly detection benchmarks (SMAP, SMD, and MSL). Further, the proposed PAPA approach significantly lowers the number of virtual SGD update operations, thus resulting in training time savings in the range of 12 to 40\% compared to the maximally interfered samples retrieval algorithm.
Selective Amnesia: A Continual Learning Approach to Forgetting in Deep Generative Models
Authors: Alvin Heng, Harold Soh
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The recent proliferation of large-scale text-to-image models has led to growing concerns that such models may be misused to generate harmful, misleading, and inappropriate content. Motivated by this issue, we derive a technique inspired by continual learning to selectively forget concepts in pretrained deep generative models. Our method, dubbed Selective Amnesia, enables controllable forgetting  where a user can specify how a concept should be forgotten. Selective Amnesia can be applied to conditional variational likelihood models, which encompass a variety of popular deep generative frameworks, including variational autoencoders and large-scale text-to-image diffusion models. Experiments across different models demonstrate that our approach induces forgetting on a variety of concepts, from entire classes in standard datasets to celebrity and nudity prompts in text-to-image models.
Structure from Duplicates: Neural Inverse Graphics from a Pile of Objects
Authors: Tianhang Cheng, Wei-Chiu Ma, Kaiyu Guan, Antonio Torralba, Shenlong Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Abstract Our world is full of identical objects (\emph{e.g.}, cans of coke, cars of same model). These duplicates, when seen together, provide additional and strong cues for us to effectively reason about 3D. Inspired by this observation, we introduce Structure from Duplicates (SfD), a novel inverse graphics framework that reconstructs geometry, material, and illumination from a single image containing multiple identical objects. SfD begins by identifying multiple instances of an object within an image, and then jointly estimates the 6DoF pose for all instances. An inverse graphics pipeline is subsequently employed to jointly reason about the shape, material of the object, and the environment light, while adhering to the shared geometry and material constraint across instances.Our primary contributions involve utilizing object duplicates as a robust prior for single-image inverse graphics and proposing an in-plane rotation-robust Structure from Motion (SfM) formulation for joint 6-DoF object pose estimation. By leveraging multi-view cues from a single image, SfD generates more realistic and detailed 3D reconstructions, significantly outperforming existing single image reconstruction models and multi-view reconstruction approaches with a similar or greater number of observations.
Weakly-Supervised Audio-Visual Segmentation
Authors: Shentong Mo, Bhiksha Raj
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Audio-visual segmentation is a challenging task that aims to predict pixel-level masks for sound sources in a video.  Previous work applied a comprehensive manually designed architecture with countless pixel-wise accurate masks as supervision.  However, these pixel-level masks are expensive and not available in all cases.  In this work, we aim to simplify the supervision as the instance-level annotation, $\textit{i.e.}$, weakly-supervised audio-visual segmentation.  We present a novel Weakly-Supervised Audio-Visual Segmentation framework, namely WS-AVS, that can learn multi-scale audio-visual alignment with multi-scale multiple-instance contrastive learning for audio-visual segmentation.  Extensive experiments on AVSBench demonstrate the effectiveness of our WS-AVS in the weakly-supervised audio-visual segmentation of single-source and multi-source scenarios.
Adversarial Examples Are Not Real Features
Authors: Ang Li, Yifei Wang, Yiwen Guo, Yisen Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The existence of adversarial examples has been a mystery for years and attracted much interest. A well-known theory by \citet{ilyas2019adversarial} explains adversarial vulnerability from a data perspective by showing that one can extract non-robust features from adversarial examples and these features alone are useful for classification. However, the explanation remains quite counter-intuitive since non-robust features are mostly noise features to humans. In this paper, we re-examine the theory from a larger context by incorporating multiple learning paradigms. Notably, we find that contrary to their good usefulness under supervised learning, non-robust features attain poor usefulness when transferred to other self-supervised learning paradigms, such as contrastive learning, masked image modeling, and diffusion models. It reveals that non-robust features are not really as useful as robust or natural features that enjoy good transferability between these paradigms. Meanwhile, for robustness, we also show that naturally trained encoders from robust features are largely non-robust under AutoAttack. Our cross-paradigm examination suggests that the non-robust features are not really useful but more like paradigm-wise shortcuts, and robust features alone might be insufficient to attain reliable model robustness. Code is available at \url{https://github.com/PKU-ML/AdvNotRealFeatures}.
A Comprehensive Study on Text-attributed Graphs: Benchmarking and Rethinking
Authors: Hao Yan, Chaozhuo Li, Ruosong Long, Chao Yan, Jianan Zhao, Wenwen Zhuang, Jun Yin, Peiyan Zhang, Weihao Han, Hao Sun, Weiwei Deng, Qi Zhang, Lichao Sun, Xing Xie, Senzhang Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Text-attributed graphs (TAGs) are prevalent in various real-world scenarios, where each node is associated with a text description. The cornerstone of representation learning on TAGs lies in the seamless integration of textual semantics within individual nodes and the topological connections across nodes. Recent advancements in pre-trained language models (PLMs) and graph neural networks (GNNs) have facilitated effective learning on TAGs, garnering increased research interest. However, the absence of meaningful benchmark datasets and standardized evaluation procedures for TAGs has impeded progress in this field. In this paper, we propose CS-TAG, a comprehensive and diverse collection of challenging benchmark datasets for TAGs. The CS-TAG datasets are notably large in scale and encompass a wide range of domains, spanning from citation networks to purchase graphs. In addition to building the datasets,  we conduct extensive benchmark experiments over CS-TAG with various learning paradigms, including PLMs, GNNs, PLM-GNN co-training methods, and the proposed novel topological pre-training of language models. In a nutshell, we provide an overview of the CS-TAG datasets, standardized evaluation procedures, and present baseline experiments. The entire CS-TAG project is publicly accessible at \url{https://github.com/sktsherlock/TAG-Benchmark}.
Online Ad Allocation with Predictions
Authors: Fabian Spaeh, Alina Ene
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Display Ads and the generalized assignment problem are two well-studied online packing problems with important applications in ad allocation and other areas. In both problems, ad impressions arrive online and have to be allocated immediately to budget-constrained advertisers. Worst-case algorithms that achieve the ideal competitive ratio are known for both problems, but might act overly conservative given the predictable and usually tame nature of real-world input. Given this discrepancy, we develop an algorithm for both problems that incorporate machine-learned predictions and can thus improve the performance beyond the worst-case. Our algorithm is based on the work of Feldman et al. (2009) and similar in nature to Mahdian et al. (2007) who were the first to develop a learning-augmented algorithm for the related, but more structured Ad Words problem. We use a novel analysis to show that our algorithm is able to capitalize on a good prediction, while being robust against poor predictions. We experimentally evaluate our algorithm on synthetic and real-world data on a wide range of predictions. Our algorithm is consistently outperforming the worst-case algorithm without predictions.
Transfer Learning with Affine Model Transformation
Authors: Shunya Minami, Kenji Fukumizu, Yoshihiro Hayashi, Ryo Yoshida
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Supervised transfer learning has received considerable attention due to its potential to boost the predictive power of machine learning in scenarios where data are scarce. Generally, a given set of source models and a dataset from a target domain are used to adapt the pre-trained models to a target domain by statistically learning domain shift and domain-specific factors. While such procedurally and intuitively plausible methods have achieved great success in a wide range of real-world applications, the lack of a theoretical basis hinders further methodological development. This paper presents a general class of transfer learning regression called affine model transfer, following the principle of expected-square loss minimization. It is shown that the affine model transfer broadly encompasses various existing methods, including the most common procedure based on neural feature extractors. Furthermore, the current paper clarifies theoretical properties of the affine model transfer such as generalization error and excess risk. Through several case studies, we demonstrate the practical benefits of modeling and estimating inter-domain commonality and domain-specific factors separately with the affine-type transfer models.
Towards Robust and Expressive Whole-body Human Pose and Shape Estimation
Authors: Hui En Pang, Zhongang Cai, Lei Yang, Qingyi Tao, Zhonghua Wu, Tianwei Zhang, Ziwei Liu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Whole-body pose and shape estimation aims to jointly predict different behaviors (e.g., pose, hand gesture, facial expression) of the entire human body from a monocular image. Existing methods often exhibit suboptimal performance due to the complexity of in-the-wild scenarios. We argue that the prediction accuracy of these models is significantly affected by the quality of the bounding box, e.g., scale, alignment. The natural discrepancy between the ideal bounding box annotations and model detection results is particularly detrimental to the performance of whole-body pose and shape estimation.In this paper, we propose a novel framework to enhance the robustness of whole-body pose and shape estimation. Our framework incorporates three new modules to address the above challenges from three perspectives: (1) a Localization Module enhances the model's awareness of the subject's location and semantics within the image space; (2) a Contrastive Feature Extraction Module encourages the model to be invariant to robust augmentations by incorporating a contrastive loss and positive samples; (3) a Pixel Alignment Module ensures the reprojected mesh from the predicted camera and body model parameters are more accurate and pixel-aligned. We perform comprehensive experiments to demonstrate the effectiveness of our proposed framework on body, hands, face and whole-body benchmarks.
Neural Lad: A Neural Latent Dynamics Framework for Times Series Modeling
Authors: ting li, Jianguo Li, Zhanxing Zhu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural ordinary differential equation (Neural ODE) is an elegant yet powerful framework to learn the temporal dynamics for time series modeling.However, we observe that existing Neural ODE forecasting models suffer from two disadvantages:i) controlling the latent states only through the linear transformation over the local change of the observed signals may be inadequate;ii) lacking the ability to capture the inherent periodical property in time series forecasting tasks;To overcome the two issues, we introduce a new neural ODE framework called \textbf{Neural Lad}, a \textbf{Neural} \textbf{La}tent \textbf{d}ynamics model in which the latent representations evolve with an ODE enhanced by the change of observed signal and seasonality-trend characterization. We incorporate the local change of input signal into the latent dynamics in an attention-based manner and design a residual architecture over basis expansion to depict the periodicity in the underlying dynamics. To accommodate the multivariate time series forecasting, we extend the  Neural Lad through learning an adaptive relationship between multiple time series.        Experiments demonstrate that our model can achieve better or comparable performance against existing neural ODE families and transformer variants in various datasets. Remarkably, the empirical superiority of Neural Lad is consistent across  short and long-horizon forecasting for both univariate, multivariate and even irregular sampled time series.
Weighted ROC Curve in Cost Space: Extending AUC to Cost-Sensitive Learning
Authors: HuiYang Shao, Qianqian Xu, Zhiyong Yang, Peisong Wen, Gao Peifeng, Qingming Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we aim to tackle flexible cost requirements for long-tail datasets, where we need to construct a (a) cost-sensitive and (b) class-distribution robust learning framework. The misclassification cost and the area under the ROC curve (AUC) are popular metrics for (a) and (b), respectively. However, limited by their formulations, models trained with AUC cannot be applied to cost-sensitive decision problems, and models trained with fixed costs are sensitive to the class distribution shift. To address this issue, we present a new setting where costs are treated like a dataset to deal with arbitrarily unknown cost distributions. Moreover, we propose a novel weighted version of AUC where the cost distribution can be integrated into its calculation through decision thresholds.  To formulate this setting, we propose a novel bilevel paradigm to bridge weighted AUC (WAUC) and cost. The inner-level problem approximates the optimal threshold from sampling costs, and the outer-level problem minimizes the WAUC loss over the optimal threshold distribution. To optimize this bilevel paradigm, we employ a stochastic optimization algorithm (SACCL) to optimize it. Finally, experiment results show that our algorithm performs better than existing cost-sensitive learning methods and two-stage AUC decisions approach.