mtybilly/Instruct2DS huggingface dataset:
Treatment of Statistical Estimation Problems in Randomized Smoothing for Adversarial Robustness
Authors: Václav Voráček
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Randomized smoothing is a popular certified defense against adversarial attacks. In its essence, we need to solve a problem of  statistical estimation which is usually very time-consuming since we need to perform numerous (usually $10^5$) forward passes of the classifier for every point to be certified. In this paper, we review the statistical estimation problems for randomized smoothing to find out if the computational burden is necessary.  In particular, we consider the (standard) task of adversarial robustness where we need to decide if a point is robust at a certain radius or not using as few samples as possible while maintaining statistical guarantees.  We present estimation procedures employing confidence sequences enjoying the same statistical guarantees as the standard methods, with the optimal sample complexities for the estimation task and empirically demonstrate their good performance. Additionally, we provide a randomized version of Clopper-Pearson confidence intervals resulting in strictly stronger certificates.
EnsIR: An Ensemble Algorithm for Image Restoration via Gaussian Mixture Models
Authors: Wenqi Ren, Zikun Liu, Hyunhee Park, Rui Wang, Xiaochun Cao Shangquan Sun
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image restoration has experienced significant advancements due to the development of deep learning. Nevertheless, it encounters challenges related to ill-posed problems, resulting in deviations between single model predictions and ground-truths. Ensemble learning, as a powerful machine learning technique, aims to address these deviations by combining the predictions of multiple base models. Most existing works adopt ensemble learning during the design of restoration models, while only limited research focuses on the inference-stage ensemble of pre-trained restoration models. Regression-based methods fail to enable efficient inference, leading researchers in academia and industry to prefer averaging as their choice for post-training ensemble. To address this, we reformulate the ensemble problem of image restoration into Gaussian mixture models (GMMs) and employ an expectation maximization (EM)-based algorithm to estimate ensemble weights for aggregating prediction candidates. We estimate the range-wise ensemble weights on a reference set and store them in a lookup table (LUT) for efficient ensemble inference on the test set. Our algorithm is model-agnostic and training-free, allowing seamless integration and enhancement of various pre-trained image restoration models. It consistently outperforms regression-based methods and averaging ensemble approaches on 14 benchmarks across 3 image restoration tasks, including super-resolution, deblurring and deraining. The codes and all estimated weights have been released in Github.
Any2Policy: Learning Visuomotor Policy with Any-Modality
Authors: Zhicai Ou, Feifei Feng, Jian Tang Yichen Zhu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Humans can communicate and observe media with different modalities, such as texts, sounds, and images. For robots to be more generalizable embodied agents, they should be capable of following instructions and perceiving the world with adaptation to diverse modalities. Current robotic learning methodologies often focus on single-modal task specification and observation, thereby limiting their ability to process rich multi-modal information. Addressing this limitation, we present an end-to-end general-purpose multi-modal system named Any-to-Policy Embodied Agents. This system empowers robots to handle tasks using various modalities, whether in combinations like text-image, audio-image, text-point cloud, or in isolation. Our innovative approach involves training a versatile modality network that adapts to various inputs and connects with policy networks for effective control. Because of the lack of existing multi-modal robotics datasets for evaluation, we assembled a comprehensive real-world dataset encompassing 30 robotic tasks. Each task in this dataset is richly annotated across multiple modalities, providing a robust foundation for assessment. We conducted extensive validation of our proposed unified modality embodied agent using several simulation benchmarks, including Franka Kitchen, Meta-World, and Maniskill2, as well as in our real-world settings. Our experiments showcase the promising capability of building embodied agents that can adapt to diverse multi-modal in a unified framework.
Exact, Tractable Gauss-Newton Optimization in Deep Reversible Architectures Reveal Poor Generalization
Authors: Jamie McGowan, Wangkun Xu, Alexandru Cioba, Da-shan Shiu, Guillaume Hennequin, Alberto Bernacchia Davide Buffelli
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Second-order optimization has been shown to accelerate the training of deep neural networks in many applications, often yielding faster progress per iteration on the training loss compared to first-order optimizers. However, the generalization properties of second-order methods are still being debated. Theoretical investigations have proved difficult to carry out outside the tractable settings of heavily simplified model classes - thus, the relevance of existing theories to practical deep learning applications remains unclear. Similarly, empirical studies in large-scale models and real datasets are significantly confounded by the necessity to approximate second-order updates in practice. It is often unclear whether the observed generalization behaviour arises specifically from the second-order nature of the parameter updates, or instead reflects the specific structured (e.g. Kronecker) approximations used or any damping-based interpolation towards first-order updates. Here, we show for the first time that exact Gauss-Newton (GN) updates take on a tractable form in a class of deep reversible architectures that are sufficiently expressive to be meaningfully applied to common benchmark datasets. We exploit this novel setting to study the training and generalization properties of the GN optimizer. We find that exact GN generalizes poorly. In the mini-batch training setting, this manifests as rapidly saturating progress even on the training loss, with parameter updates found to overfit each mini-batch without producing the features that would support generalization to other mini-batches. In contrast to previous work, we show that our experiments run in the feature learning regime, in which the neural tangent kernel (NTK) changes during the course of training. However, changes in the NTK are not associated with any significant change in neural representations, explaining the lack of generalization.
CODE: Contrasting Self-generated Description to Combat Hallucination in Large Multi-modal Models
Authors: Hyun Jun Kim, Yeon Ju Kim, Yong Man Ro Junho Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Multi-modal Models (LMMs) have recently demonstrated remarkable abilities in visual context understanding and coherent response generation. However, alongside these advancements, the issue of hallucinations has emerged as a significant challenge, producing erroneous responses that are unrelated to the visual contents. In this paper, we introduce a novel contrastive-based decoding method, COuntering DEscription Contrastive Decoding (CODE), which leverages self-generated descriptions as contrasting references during the decoding phase of LMMs to address hallucination issues. CODE utilizes the comprehensive descriptions from model itself as visual counterpart to correct and improve response alignment with actual visual content. By dynamically adjusting the information flow and distribution of next-token predictions in the LMM's vocabulary, CODE enhances the coherence and informativeness of generated responses. Extensive experiments demonstrate that our method significantly reduces hallucinations and improves cross-modal consistency across various benchmarks and cutting-edge LMMs. Our method provides a simple yet effective decoding strategy that can be integrated to existing LMM frameworks without additional training.
Uniform Last-Iterate Guarantee for Bandits and Reinforcement Learning
Authors: Yunfan Li, Ruosong Wang, Lin F. Yang Junyan Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing metrics for reinforcement learning (RL) such as regret, PAC bounds, or uniform-PAC (Dann et al., 2017), typically evaluate the cumulative performance, while allowing the play of an arbitrarily bad policy at any finite time t. Such a behavior can be highly detrimental in high-stakes applications. This paper introduces a stronger metric, uniform last-iterate (ULI) guarantee, capturing both cumulative and instantaneous performance of RL algorithms. Specifically, ULI characterizes the instantaneous performance since it ensures that the per-round suboptimality of the played policy is bounded by a function, monotonically decreasing w.r.t. (large) round t, preventing revisits to bad policies when sufficient samples are available. We demonstrate that a near-optimal ULI guarantee directly implies near-optimal cumulative performance across aforementioned metrics, but not the other way around. To examine the achievability of ULI, we first provide two positive results for bandit problems with finite arms, showing that some elimination-based algorithms and high-probability adversarial algorithms with stronger analysis or additional designs, can attain near-optimal ULI guarantees. We also provide a negative result, indicating that optimistic algorithms cannot achieve a near-optimal ULI guarantee. Furthermore, we propose an efficient algorithm for linear bandits with infinitely many arms, which achieves the ULI guarantee, given access to an optimization oracle. Finally, we propose an algorithm that achieves a near-optimal ULI guarantee for the online reinforcement learning setting.
Accelerating Diffusion Models with Parallel Sampling: Inference at Sub-Linear Time Complexity
Authors: Yinuo Ren, Lexing Ying, Grant M. Rotskoff Haoxuan Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models have become a leading method for generative modeling of both image and scientific data.As these models are costly to train and \emph{evaluate}, reducing the inference cost for diffusion models remains a major goal.Inspired by the recent empirical success in accelerating diffusion models via the parallel sampling technique~\cite{shih2024parallel}, we propose to divide the sampling process into $\mathcal{O}(1)$ blocks with parallelizable Picard iterations within each block. Rigorous theoretical analysis reveals that our algorithm achieves $\widetilde{\mathcal{O}}(\mathrm{poly} \log d)$ overall time complexity, marking \emph{the first implementation with provable sub-linear complexity w.r.t. the data dimension $d$}. Our analysis is based on a generalized version of Girsanov's theorem and is compatible with both the SDE and probability flow ODE implementations. Our results shed light on the potential of fast and efficient sampling of high-dimensional data on fast-evolving modern large-memory GPU clusters.
Enhancing LLM’s Cognition via Structurization
Authors: Zhihang Fu, Chao Chen, Wei Zhang, Rongxin Jiang, Fan Zhou, Yaowu Chen, Yue Wu, Jieping Ye Kai Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When reading long-form text, human cognition is complex and structurized. While large language models (LLMs) process input contexts through a causal and sequential perspective, this approach can potentially limit their ability to handle intricate and complex inputs effectively. To enhance LLM’s cognition capability, this paper presents a novel concept of context structurization. Specifically, we transform the plain, unordered contextual sentences into well-ordered and hierarchically structurized elements. By doing so, LLMs can better grasp intricate and extended contexts through precise attention and information-seeking along the organized structures. Extensive evaluations are conducted across various model architectures and sizes (including a series of auto-regressive LLMs as well as BERT-like masking models) on a diverse set of NLP tasks (e.g., context-based question-answering, exhaustive hallucination evaluation, and passage-level dense retrieval). Empirical results show consistent and significant performance gains afforded by a single-round structurization. In particular, we boost the open-sourced LLaMA2-70B model to achieve comparable performance against GPT-3.5-Turbo as the halluci- nation evaluator. Besides, we show the feasibility of distilling advanced LLMs’ language processing abilities to a smaller yet effective StruXGPT-7B to execute structurization, addressing the practicality of our approach. Code is available at https://github.com/alibaba/struxgpt.
Offline Oracle-Efficient Learning for Contextual MDPs via Layerwise Exploration-Exploitation Tradeoff
Authors: Haichen Hu, David Simchi-Levi Jian Qian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Motivated by the recent discovery of a statistical and computational reduction from contextual bandits to offline regression \citep{simchi2020bypassing}, we address the general (stochastic) Contextual Markov Decision Process (CMDP) problem with horizon $H$ (as known as CMDP with $H$ layers). In this paper, we introduce a reduction from CMDPs to offline density estimation under the realizability assumption, i.e., a model class $\mathcal{M}$ containing the true underlying CMDP is provided in advance. We develop an efficient, statistically near-optimal algorithm requiring only $O(H \log T)$ calls to an offline density estimation algorithm (or oracle) across all $T$ rounds. This number can be further reduced to $O(H \log \log T)$ if $T$ is known in advance. Our results mark the first efficient and near-optimal reduction from CMDPs to offline density estimation without imposing any structural assumptions on the model class. A notable feature of our algorithm is the design of a layerwise exploration-exploitation tradeoff tailored to address the layerwise structure of CMDPs. Additionally, our algorithm is versatile and applicable to pure exploration tasks in reward-free reinforcement learning.
Is Multiple Object Tracking a Matter of Specialization?
Authors: Mattia Bernardi, Aniello Panariello, Angelo Porrello, Rita Cucchiara, Simone Calderara Gianluca Mancusi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: End-to-end transformer-based trackers have achieved remarkable performance on most human-related datasets. However, training these trackers in heterogeneous scenarios poses significant challenges, including negative interference - where the model learns conflicting scene-specific parameters - and limited domain generalization, which often necessitates expensive fine-tuning to adapt the models to new domains. In response to these challenges, we introduce Parameter-efficient Scenario-specific Tracking Architecture (PASTA), a novel framework that combines Parameter-Efficient Fine-Tuning (PEFT) and Modular Deep Learning (MDL). Specifically, we define key scenario attributes (e.g, camera-viewpoint, lighting condition) and train specialized PEFT modules for each attribute. These expert modules are combined in parameter space, enabling systematic generalization to new domains without increasing inference time. Extensive experiments on MOTSynth, along with zero-shot evaluations on MOT17 and PersonPath22 demonstrate that a neural tracker built from carefully selected modules surpasses its monolithic counterpart. We release models and code.
A Practitioner's Guide to Real-World Continual Multimodal Pretraining
Authors: Karsten Roth, Sebastian Dziadzio, Ameya Prabhu, Mehdi Cherti, Oriol Vinyals, Olivier Hénaff, Samuel Albanie, Zeynep Akata, Matthias Bethge Vishaal Udandarao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Multimodal foundation models serve numerous applications at the intersection of vision and language. Still, despite being pretrained on extensive data, they become outdated over time.To keep models updated, research into continual pretraining mainly explores scenarios with either (1) infrequent, indiscriminate updates on large-scale new data, or (2) frequent, sample-level updates.However, practical model deployment often operates in the gap between these two limit cases, as real-world applications demand adaptation to specific subdomains, tasks or concepts --- spread over the entire, varying life cycle of a model. In this work, we complement current perspectives on continual pretraining through a research test bed and offer comprehensive guidance for effective continual model updates in such scenarios.We first introduce FoMo-in-Flux, a continual multimodal pretraining benchmark with realistic compute constraints and practical deployment requirements, constructed over 63 datasets with diverse visual and semantic coverage.Using FoMo-in-Flux, we explore the complex landscape of practical continual pretraining through multiple perspectives: (1) data mixtures and stream orderings that emulate real-world deployment settings, (2) methods ranging from simple fine-tuning and traditional continual learning strategies to parameter-efficient updates and model merging, (3) meta-learning-rate schedules and mechanistic design choices, and (4) model and compute scaling. Together, our insights provide a practitioner's guide to continual multimodal pretraining for real-world deployment. Benchmark and code is provided here: https://github.com/ExplainableML/fomoinflux.
DiffuPac: Contextual Mimicry in Adversarial Packets Generation via Diffusion Model
Authors: Akiko Manada, Kohei Watabe Abdullah Bin Jasni
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In domains of cybersecurity, recent advancements in Machine Learning (ML) and Deep Learning (DL) have significantly enhanced Network Intrusion Detection Systems (NIDS), improving the effectiveness of cybersecurity operations. However, attackers have also leveraged ML/DL to develop sophisticated models that generate adversarial packets capable of evading NIDS detection. Consequently, defenders must study and analyze these models to prepare for the evasion attacks that exploit NIDS detection mechanisms. Unfortunately, conventional generation models often rely on unrealistic assumptions about attackers' knowledge of NIDS components, making them impractical for real-world scenarios. To address this issue, we present DiffuPac, a first-of-its-kind generation model designed to generate adversarial packets that evade detection without relying on specific NIDS components. DiffuPac integrates a pre-trained Bidirectional Encoder Representations from Transformers (BERT) with diffusion model, which, through its capability for conditional denoising and classifier-free guidance, effectively addresses the real-world constraint of limited attacker knowledge. By concatenating malicious packets with contextually relevant normal packets and applying targeted noising only to the malicious packets, DiffuPac seamlessly blends adversarial packets into genuine network traffic. Through evaluations on real-world datasets, we demonstrate that DiffuPac achieves strong evasion capabilities against sophisticated NIDS, outperforming conventional methods by an average of 6.69 percentage points, while preserving the functionality and practicality of the generated adversarial packets.
Alleviating Distortion in Image Generation via Multi-Resolution Diffusion Models and Time-Dependent Layer Normalization
Authors: Zhanpeng Zeng, Ju He, Qihang Yu, Xiaohui Shen, Liang-Chieh Chen Qihao Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper presents innovative enhancements to diffusion models by integrating a novel multi-resolution network and time-dependent layer normalization.Diffusion models have gained prominence for their effectiveness in high-fidelity image generation.While conventional approaches rely on convolutional U-Net architectures, recent Transformer-based designs have demonstrated superior performance and scalability.However, Transformer architectures, which tokenize input data (via "patchification"), face a trade-off between visual fidelity and computational complexity due to the quadratic nature of self-attention operations concerning token length.While larger patch sizes enable attention computation efficiency, they struggle to capture fine-grained visual details, leading to image distortions.To address this challenge, we propose augmenting the **Di**ffusion model with the **M**ulti-**R**esolution network (DiMR), a framework that refines features across multiple resolutions, progressively enhancing detail from low to high resolution.Additionally, we introduce Time-Dependent Layer Normalization (TD-LN), a parameter-efficient approach that incorporates time-dependent parameters into layer normalization to inject time information and achieve superior performance.Our method's efficacy is demonstrated on the class-conditional ImageNet generation benchmark, where DiMR-XL variants surpass previous diffusion models, achieving FID scores of 1.70 on ImageNet $256 \times 256$ and 2.89 on ImageNet $512 \times 512$. Our best variant, DiMR-G, further establishes a state-of-the-art 1.63 FID on ImageNet $256 \times 256$.
Off-policy estimation with adaptively collected data: the power of online learning
Authors: Cong Ma Jeonghwan Lee
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider estimation of a linear functional of the treatment effect from adaptively collected data. This problem finds a variety of applications including off-policy evaluation in contextual bandits, and estimation of the average treatment effect in causal inference. While a certain class of augmented inverse propensity weighting (AIPW) estimators enjoys desirable asymptotic properties including the semi-parametric efficiency, much less is known about their non-asymptotic theory with adaptively collected data. To fill in the gap, we first present generic upper bounds on the mean-squared error of the class of AIPW estimators that crucially depends on a sequentially weighted error between the treatment effect and its estimates. Motivated by this, we propose a general reduction scheme that allows one to produce a sequence of estimates for the treatment effect via online learning to minimize the sequentially weighted estimation error. To illustrate this, we provide three concrete instantiations in (1) the tabular case; (2) the case of linear function approximation; and (3) the case of general function approximation for the outcome model. We then provide a local minimax lower bound to show the instance-dependent optimality of the AIPW estimator using no-regret online learning algorithms.
FedNE: Surrogate-Assisted Federated Neighbor Embedding for Dimensionality Reduction
Authors: Xiaoqi Wang, Hong-You Chen, Han-Wei Shen, Wei-Lun Chao Ziwei Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Federated learning (FL) has rapidly evolved as a promising paradigm that enables collaborative model training across distributed participants without exchanging their local data. Despite its broad applications in fields such as computer vision, graph learning, and natural language processing, the development of a data projection model that can be effectively used to visualize data in the context of FL is crucial yet remains heavily under-explored. Neighbor embedding (NE) is an essential technique for visualizing complex high-dimensional data, but collaboratively learning a joint NE model is difficult. The key challenge lies in the objective function, as effective visualization algorithms like NE require computing loss functions among pairs of data. In this paper, we introduce \textsc{FedNE}, a novel approach that integrates the \textsc{FedAvg} framework with the contrastive NE technique, without any requirements of shareable data. To address the lack of inter-client repulsion which is crucial for the alignment in the global embedding space, we develop a surrogate loss function that each client learns and shares with each other. Additionally, we propose a data-mixing strategy to augment the local data, aiming to relax the problems of invisible neighbors and false neighbors constructed by the local $k$NN graphs. We conduct comprehensive experiments on both synthetic and real-world datasets. The results demonstrate that our \textsc{FedNE} can effectively preserve the neighborhood data structures and enhance the alignment in the global embedding space compared to several baseline methods.
Exploring the trade-off between deep-learning and explainable models for brain-machine interfaces
Authors: Guy Revach, Matthew J. Mender, Joseph T. Costello, Hisham Temmar, Aren Hite, Diksha Zutshi, Dylan M. Wallace, Xiaoyong Ni, Madison M. Kelberman, Matthew S. Willsey, Ruud J.G. van Sloun, Nir Shlezinger, Parag Patil, Anne Draelos, Cynthia A. Chestek Luis H. Cubillos
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: People with brain or spinal cord-related paralysis often need to rely on others for basic tasks, limiting their independence. A potential solution is brain-machine interfaces (BMIs), which could allow them to voluntarily control external devices (e.g., robotic arm) by decoding brain activity to movement commands. In the past decade, deep-learning decoders have achieved state-of-the-art results in most BMI applications, ranging from speech production to finger control. However, the 'black-box' nature of deep-learning decoders could lead to unexpected behaviors, resulting in major safety concerns in real-world physical control scenarios. In these applications, explainable but lower-performing decoders, such as the Kalman filter (KF), remain the norm. In this study, we designed a BMI decoder based on KalmanNet, an extension of the KF that augments its operation with recurrent neural networks to compute the Kalman gain. This results in a varying “trust” that shifts between inputs and dynamics. We used this algorithm to predict finger movements from the brain activity of two monkeys. We compared KalmanNet results offline (pre-recorded data, $n=13$ days) and online (real-time predictions, $n=5$ days) with a simple KF and two recent deep-learning algorithms: tcFNN (non-ReFIT version) and LSTM. KalmanNet achieved comparable or better results than other deep learning models in offline and online modes, relying on the dynamical model for stopping while depending more on neural inputs for initiating movements. We further validated this mechanism by implementing a heteroscedastic KF that used the same strategy, and it also approached state-of-the-art performance while remaining in the explainable domain of standard KFs. However, we also see two downsides to KalmanNet. KalmanNet shares the limited generalization ability of existing deep-learning decoders, and its usage of the KF as an inductive bias limits its performance in the presence of unseen noise distributions. Despite this trade-off, our analysis successfully integrates traditional controls and modern deep-learning approaches to motivate high-performing yet still explainable BMI designs.
Detecting Bugs with Substantial Monetary Consequences by LLM and Rule-based Reasoning
Authors: Zhuo Zhang Brian Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Financial transactions are increasingly being handled by automated programs called smart contracts. However, one challenge in the adaptation of smart contracts is the presence of vulnerabilities, which can cause significant monetary loss.In  2024, $247.88 M was lost in 20 smart contract exploits.According to a recent study, accounting bugs (i.e., incorrect implementations of domain-specific financial models) are the most prevalent type of vulnerability, and are one of the most difficult to find, requiring substantial human efforts.While Large Language Models (LLMs) have shown promise in identifying these bugs, they often suffer from lack of generalization of vulnerability types, hallucinations, and problems with representing smart contracts in limited token context space.This paper proposes a hybrid system combining LLMs and rule-based reasoning to detect accounting error vulnerabilities in smart contracts. In particular, it utilizes the understanding capabilities of LLMs to annotate the financial meaning of variables in smart contracts, and employs rule-based reasoning to propagate the information throughout a contract's logic and to validate potential vulnerabilities.To remedy hallucinations, we propose a feedback loop where validation is performed by providing the reasoning trace of vulnerabilities to the LLM for iterative self-reflection. We achieve 75.6% accuracy on the labelling of financial meanings against human annotations. Furthermore, we achieve a recall of 90.5% from running on 23 real-world smart contract projects containing 21 accounting error vulnerabilities.Finally, we apply the automated technique on 8 recent projects, finding 4 known and 2 unknown bugs.
SAND: Smooth imputation of sparse and noisy functional data with Transformer networks
Authors: Junwen Yao, Jonas Mueller, Jane-Ling Wang Ju-Sheng Hong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Although the transformer architecture has come to dominate other models for text and image data, its application to irregularly-spaced longitudinal data has been limited. We introduce a variant of the transformer that enables it to more smoothly impute such functional data. We augment the vanilla transformer with a simple module we call SAND (self-attention on derivatives), which naturally encourages smoothness by modeling the sub-derivative of the imputed curve. On the theoretical front, we prove the number of hidden nodes required by a network with SAND to achieve an $\epsilon$ prediction error bound for functional imputation. Extensive experiments over various types of functional data demonstrate that transformers with SAND produce better imputations than both their standard counterparts as well as transformers augmented with alternative approaches to encode the inductive bias of smoothness. SAND also outperforms standard statistical methods for functional imputation like kernel smoothing and PACE.
Adaptive Randomized Smoothing: Certified Adversarial Robustness for Multi-Step Defences
Authors: Shadab Shaikh, Frederick Shpilevskiy, Evan Shelhamer, Mathias Lécuyer Saiyue Lyu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose Adaptive Randomized Smoothing (ARS) to certify the predictions of our test-time adaptive models against adversarial examples.ARS extends the analysis of randomized smoothing using $f$-Differential Privacy to certify the adaptive composition of multiple steps.For the first time, our theory covers the sound adaptive composition of general and high-dimensional functions of noisy inputs.We instantiate ARS on deep image classification to certify predictions against adversarial examples of bounded $L_{\infty}$ norm.In the $L_{\infty}$ threat model, ARS enables flexible adaptation through high-dimensional input-dependent masking.We design adaptivity benchmarks, based on CIFAR-10 and CelebA, and show that ARS improves standard test accuracy by  1 to 15\% points.On ImageNet, ARS improves certified test accuracy by up to 1.6% points over standard RS without adaptivity. Our code is available at [https://github.com/ubc-systopia/adaptive-randomized-smoothing](https://github.com/ubc-systopia/adaptive-randomized-smoothing).
EDT: An Efficient Diffusion Transformer Framework Inspired by Human-like Sketching
Authors: Ning Liu, Yichen Zhu, Feifei Feng, Jian Tang Xinwang Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformer-based Diffusion Probabilistic Models (DPMs) have shown more potential than CNN-based DPMs, yet their extensive computational requirements hinder widespread practical applications. To reduce the computation budget of transformer-based DPMs, this work proposes the Efficient Diffusion Transformer (EDT) framework. This framework includes a lightweight-design diffusion model architecture, and a training-free Attention Modulation Matrix and its alternation arrangement in EDT inspired by human-like sketching. Additionally, we propose a token relation-enhanced masking training strategy tailored explicitly for EDT to augment its token relation learning capability. Our extensive experiments demonstrate the efficacy of EDT. The EDT framework reduces training and inference costs and surpasses existing transformer-based diffusion models in image synthesis performance, thereby achieving a significant overall enhancement. With lower FID, EDT-S, EDT-B, and EDT-XL attained speed-ups of 3.93x, 2.84x, and 1.92x respectively in the training phase, and 2.29x, 2.29x, and 2.22x respectively in inference, compared to the corresponding sizes of MDTv2. Our code is available at https://github.com/xinwangChen/EDT.
Hamiltonian Monte Carlo on ReLU Neural Networks is Inefficient
Authors: Lam Si Tung Ho, Cuong V. Nguyen Vu C. Dinh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We analyze the error rates of the Hamiltonian Monte Carlo algorithm with leapfrog integrator for Bayesian neural network inference. We show that due to the non-differentiability of activation functions in the ReLU family, leapfrog HMC for networks with these activation functions has a large local error rate of $\Omega(\epsilon)$ rather than the classical error rate of $\mathcal{O}(\epsilon^3)$. This leads to a higher rejection rate of the proposals, making the method inefficient. We then verify our theoretical findings through empirical simulations as well as experiments on a real-world dataset that highlight the inefficiency of HMC inference on ReLU-based neural networks compared to analytical networks.
Certified Adversarial Robustness via Randomized $\alpha$-Smoothing for Regression Models
Authors: Farhad Farokhi, Olga Ohrimenko, Benjamin I.P. Rubinstein Aref Miri Rekavandi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Certified adversarial robustness of large-scale deep networks has progressed substantially after the introduction of randomized smoothing. Deep net classifiers are now provably robust in their predictions against a large class of threat models, including $\ell_1$, $\ell_2$, and $\ell_\infty$ norm-bounded attacks. Certified robustness analysis by randomized smoothing has not been performed for deep regression networks where the output variable is continuous and unbounded. In this paper, we extend the existing results for randomized smoothing into regression models using powerful tools from robust statistics, in particular, $\alpha$-trimming filter as the smoothing function. Adjusting the hyperparameter $\alpha$ achieves a smooth trade-off between desired certified robustness and utility. For the first time, we propose a benchmark for certified robust regression in visual positioning systems using the Cambridge Landmarks dataset where robustness analysis is essential for autonomous navigation of AI agents and self-driving cars. Code is publicly available at \url{https://github.com/arekavandi/Certified_adv_RRegression/}.
An Improved Empirical Fisher Approximation for Natural Gradient Descent
Authors: Wenyi Yu, Chao Zhang, Philip Woodland Xiaodong Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Approximate Natural Gradient Descent (NGD) methods are an important family of optimisers for deep learning models, which use approximate Fisher information matrices to pre-condition gradients during training. The empirical Fisher (EF) method approximates the Fisher information matrix empirically by reusing the per-sample gradients collected during back-propagation. Despite its ease of implementation, the EF approximation has its theoretical and practical limitations. This paper investigates the inversely-scaled projection issue of EF, which is shown to be a major cause of its poor empirical approximation quality. An improved empirical Fisher (iEF) method is proposed to address this issue, which is motivated as a generalised NGD method from a loss reduction perspective, meanwhile retaining the practical convenience of EF. The exact iEF and EF methods are experimentally evaluated using practical deep learning setups, including widely-used setups for parameter-efficient fine-tuning of pre-trained models (T5-base with LoRA and Prompt-Tuning on GLUE tasks, and ViT with LoRA for CIFAR100). Optimisation experiments show that applying exact iEF directly as an optimiser provides strong convergence and generalisation. It achieves the best test performance and the lowest training loss for the majority of the tasks, even when compared to well-tuned AdamW/Adafactor baselines. Additionally, under a novel empirical evaluation framework, the proposed iEF method shows consistently better approximation quality to exact Natural Gradient updates than both the EF and the more expensive sampled Fisher methods, meanwhile demonstrating the superior property of being robust to the choice of damping across tasks and training stages. Improving existing approximate NGD optimisers with iEF is expected to lead to better convergence and robustness. Furthermore, the iEF method also serves as a better approximation method to the Fisher information matrix itself, which enables the improvement of a variety of Fisher-based methods, not limited to the scope of optimisation.
The Benefits of Balance: From Information Projections to Variance Reduction
Authors: Ronak Mehta, Soumik Pal, Zaid Harchaoui Lang Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Data balancing across multiple modalities and sources appears in various forms in foundation models in machine learning and AI, e.g., in CLIP and DINO. We show that data balancing across modalities and sources actually offers an unsuspected benefit: variance reduction. We present a non-asymptotic statistical bound that quantifies this variance reduction effect and relates it to the eigenvalue decay of Markov operators. Furthermore, we describe how various forms of data balancing in contrastive multimodal learning and self-supervised clustering can be better understood, and even improved upon, owing to our variance reduction viewpoint.
Meta-Controller: Few-Shot Imitation of Unseen Embodiments and Tasks in Continuous Control
Authors: Donggyun Kim, Jinwoo Lee, Seunghoon Hong Seongwoong Cho
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Generalizing across robot embodiments and tasks is crucial for adaptive robotic systems. Modular policy learning approaches adapt to new embodiments but are limited to specific tasks, while few-shot imitation learning (IL) approaches often focus on a single embodiment.In this paper, we introduce a few-shot behavior cloning framework to simultaneously generalize to unseen embodiments and tasks using a few (e.g., five) reward-free demonstrations. Our framework leverages a joint-level input-output representation to unify the state and action spaces of heterogeneous embodiments and employs a novel structure-motion state encoder that is parameterized to capture both shared knowledge across all embodiments and embodiment-specific knowledge. A matching-based policy network then predicts actions from a few demonstrations, producing an adaptive policy that is robust to over-fitting. Evaluated in the DeepMind Control suite, our framework termed Meta-Controller demonstrates superior few-shot generalization to unseen embodiments and tasks over modular policy learning and few-shot IL approaches.
ChronoEpilogi: Scalable Time Series Selection with Multiple Solutions
Authors: Michele Linardi, Ioannis Tsamardinos, Vassilis Christophides Etienne Vareille
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the problem of selecting all the minimal-size subsets of multivariate time-series (TS) variables whose past leads to an optimal predictive model for the future (forecasting) of a given target variable (multiple feature selection problem for times-series). Identifying these subsets leads to gaining insights, domain intuition,and a better understanding of the data-generating mechanism; it is often the first step in causal modeling. While identifying a single solution to the feature selection problem suffices for forecasting purposes, identifying all such minimal-size, optimally predictive subsets is necessary for knowledge discovery and important to avoid misleading a practitioner. We develop the theory of multiple feature selection for time-series data, propose the ChronoEpilogi algorithm, and prove its soundness and completeness under two mild, broad, non-parametric distributional assumptions, namely Compositionality of the distribution and Interchangeability of time-series variables in solutions. Experiments on synthetic and real datasets demonstrate the scalability of ChronoEpilogi to hundreds of TS variables and its efficacy in identifying multiple solutions. In the real datasets, ChronoEpilogi is shown to reduce the number of TS variables by 96% (on average) by conserving or even improving forecasting performance. Furthermore, it is on par with GroupLasso performance, with the added benefit of providing multiple solutions.
Kernel PCA for Out-of-Distribution Detection
Authors: Qinghua Tao, Kexin Lv, Mingzhen He, Xiaolin Huang, Jie Yang Kun Fang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Out-of-Distribution (OoD) detection is vital for the reliability of Deep Neural Networks (DNNs).Existing works have shown the insufficiency of Principal Component Analysis (PCA) straightforwardly applied on the features of DNNs in detecting OoD data from In-Distribution (InD) data.The failure of PCA suggests that the network features residing in OoD and InD are not well separated by simply proceeding in a linear subspace, which instead can be resolved through proper non-linear mappings.In this work, we leverage the framework of Kernel PCA (KPCA) for OoD detection, and seek suitable non-linear kernels that advocate the separability between InD and OoD data in the subspace spanned by the principal components.Besides, explicit feature mappings induced from the devoted task-specific kernels are adopted so that the KPCA reconstruction error for new test samples can be efficiently obtained with large-scale data.Extensive theoretical and empirical results on multiple OoD data sets and network structures verify the superiority of our KPCA detector in  efficiency and efficacy with state-of-the-art detection performance.
Bisimulation Metrics are Optimal Transport Distances, and Can be Computed Efficiently
Authors: Anders Jonsson, Gergely Neu, Ludovic Schwartz, Javier Segovia-Aguas Sergio Calo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose a new framework for formulating optimal transport distances between Markov chains. Previously known formulations studied couplings between the entire joint distribution induced by the chains, and derived solutions via a reduction to dynamic programming (DP) in an appropriately defined Markov decision process. This formulation has, however, not led to particularly efficient algorithms so far, since computing the associated DP operators requires fully solving a static optimal transport problem, and these operators need to be applied numerous times during the overall optimization process. In this work, we develop an alternative perspective by considering couplings between a ``flattened'' version of the joint distributions that we call discounted occupancy couplings, and show that calculating optimal transport distances in the full space of joint distributions can be equivalently formulated as solving a linear program (LP) in this reduced space. This LP formulation formulation allows us to port several algorithmic ideas from other areas of optimal transport theory. In particular, our formulation makes it possible to introduce an appropriate notion of entropy regularization into the optimization problem, which in turn enables us to directly calculate optimal transport distances via a Sinkhorn-like method we call Sinkhorn Value Iteration (SVI). We show both theoretically and empirically that this method converges quickly to an optimal coupling, essentially at the same computational cost of running vanilla Sinkhorn in each pair of states. Along the way, we point out that our optimal transport distance exactly matches the common notion of bisimulation metrics between Markov chains, and thus our results also apply to computing such metrics, and in fact our algorithm turns out to be significantly more efficient than the best known methods developed so far for this purpose.
InfoRM: Mitigating Reward Hacking in RLHF via Information-Theoretic Reward Modeling
Authors: Sen Zhang, Liang Ding, Rong Bao, Lefei Zhang, Dacheng Tao Yuchun Miao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite the success of reinforcement learning from human feedback (RLHF) in aligning language models with human values, reward hacking, also termed reward overoptimization, remains a critical challenge. This issue primarily arises from reward misgeneralization, where reward models (RMs)  compute reward using spurious features that are irrelevant to human preferences. In this work, we tackle this problem from an information-theoretic perspective and propose a framework for reward modeling, namely InfoRM, by introducing a variational information bottleneck objective to filter out irrelevant information.Notably, we further identify a correlation between overoptimization and outliers in the IB latent space of InfoRM, establishing it as a promising tool for detecting reward overoptimization.Inspired by this finding, we propose the Cluster Separation Index (CSI), which quantifies deviations in the IB latent space, as an indicator of reward overoptimization to facilitate the development of online mitigation strategies. Extensive experiments on a wide range of settings and RM scales (70M, 440M, 1.4B, and 7B) demonstrate the effectiveness of InfoRM. Further analyses reveal that InfoRM's overoptimization detection mechanism is not only effective but also robust across a broad range of datasets, signifying a notable advancement in the field of RLHF. The code will be released upon acceptance.