mtybilly/Instruct2DS huggingface dataset:
SF-V: Single Forward Video Generation Model
Authors: Yanyu Li, Yushu Wu, Yanwu Xu, Anil Kag, Ivan Skorokhodov, Willi Menapace, Aliaksandr Siarohin, Junli Cao, Dimitris Metaxas, Sergey Tulyakov, Jian Ren Zhixing Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion-based video generation models have demonstrated remarkable success in obtaining high-fidelity videos through the iterative denoising process. However, these models require multiple denoising steps during sampling, resulting in high computational costs. In this work, we propose a novel approach to obtain single-step video generation models by leveraging adversarial training to fine-tune pre-trained video diffusion models. We show that, through the adversarial training, the multi-steps video diffusion model, i.e., Stable Video Diffusion (SVD), can be trained to perform single forward pass to synthesize high-quality videos, capturing both temporal and spatial dependencies in the video data. Extensive experiments demonstrate that our method achieves competitive generation quality of synthesized videos with significantly reduced computational overhead for the denoising process (i.e., around $23\times$ speedup compared with SVD and $6\times$ speedup compared with existing works, with even better generation quality), paving the way for real-time video synthesis and editing.
Private Attribute Inference from Images with Vision-Language Models
Authors: Mark Vero, Robin Staab, Martin Vechev Batuhan Tömekçe
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: As large language models (LLMs) become ubiquitous in our daily tasks and digital interactions, associated privacy risks are increasingly in focus. While LLM privacy research has primarily focused on the leakage of model training data, it has recently been shown that LLMs can make accurate privacy-infringing inferences from previously unseen texts. With the rise of vision-language models (VLMs), capable of understanding both images and text, a key question is whether this concern transfers to the previously unexplored domain of benign images posted online. To answer this question, we compile an image dataset with human-annotated labels of the image owner's personal attributes. In order to understand the privacy risks posed by VLMs beyond traditional human attribute recognition, our dataset consists of images where the inferable private attributes do not stem from direct depictions of humans. On this dataset, we evaluate 7 state-of-the-art VLMs, finding that they can infer various personal attributes at up to 77.6% accuracy. Concerningly, we observe that accuracy scales with the general capabilities of the models, implying that future models can be misused as stronger inferential adversaries, establishing an imperative for the development of adequate defenses.
OPERA: Automatic Offline Policy Evaluation with Re-weighted Aggregates of Multiple Estimators
Authors: Yash Chandak, Christina J. Yuan, Anirudhan Badrinath, Yannis Flet-Berliac, Emma Brunskill Allen Nie
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Offline policy evaluation (OPE) allows us to evaluate and estimate a new sequential decision-making policy's performance by leveraging historical interaction data collected from other policies. Evaluating a new policy online without a confident estimate of its performance can lead to costly, unsafe, or hazardous outcomes, especially in education and healthcare. Several OPE estimators have been proposed in the last decade, many of which have hyperparameters and require training. Unfortunately, choosing the best OPE algorithm for each task and domain is still unclear. In this paper, we propose a new algorithm that adaptively blends a set of OPE estimators given a dataset without relying on an explicit selection using a statistical procedure. We prove that our estimator is consistent and satisfies several desirable properties for policy evaluation. Additionally, we demonstrate that when compared to alternative approaches, our estimator can be used to select higher-performing policies in healthcare and robotics. Our work contributes to improving ease of use for a general-purpose, estimator-agnostic, off-policy evaluation framework for offline RL.
DiffuBox: Refining 3D Object Detection with Point Diffusion
Authors: Zhenzhen Liu, Katie Z Luo, Siddhartha Datta, Adhitya Polavaram, Yan Wang, Yurong You, Boyi Li, Marco Pavone, Wei-Lun Chao, Mark Campbell, Bharath Hariharan, Kilian Q. Weinberger Xiangyu Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Ensuring robust 3D object detection and localization is crucial for many applications in robotics and autonomous driving. Recent models, however, face difficulties in maintaining high performance when applied to domains with differing sensor setups or geographic locations, often resulting in poor localization accuracy due to domain shift. To overcome this challenge, we introduce a novel diffusion-based box refinement approach. This method employs a domain-agnostic diffusion model, conditioned on the LiDAR points surrounding a coarse bounding box, to simultaneously refine the box's location, size, and orientation. We evaluate this approach under various domain adaptation settings, and our results reveal significant improvements across different datasets, object classes and detectors. Our PyTorch implementation is available at https://github.com/cxy1997/DiffuBox.
Learning to Predict Structural Vibrations
Authors: Julius Schultz, Christopher Blech, Sabine C. Langer, Timo Lüddecke Jan van Delden
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In mechanical structures like airplanes, cars and houses, noise is generated and transmitted through vibrations. To take measures to reduce this noise, vibrations need to be simulated with expensive numerical computations. Deep learning surrogate models present a promising alternative to classical numerical simulations as they can be evaluated magnitudes faster, while trading-off accuracy. To quantify such trade-offs systematically and foster the development of methods, we present a benchmark on the task of predicting the vibration of harmonically excited plates. The benchmark features a total of 12,000 plate geometries with varying forms of beadings, material, boundary conditions, load position and sizes with associated numerical solutions. To address the benchmark task, we propose a new network architecture, named \modelname, which predicts vibration patterns of plate geometries given a specific excitation frequency. Applying principles from operator learning and implicit models for shape encoding, our approach effectively addresses the prediction of highly variable frequency response functions occurring in dynamic systems. To quantify the prediction quality, we introduce a set of evaluation metrics and evaluate the method on our vibrating-plates benchmark. Our method outperforms DeepONets, Fourier Neural Operators and more traditional neural network architectures and can be used for design optimization.Code, dataset and visualizations: https://github.com/ecker-lab/LearningVibratingPlates
Infer Induced Sentiment of Comment Response to Video: A New Task, Dataset and Baseline
Authors: Baoyu Fan, Cong Xu, Lu Liu, Liang Jin, Guoguang Du, Zhenhua Guo, Yaqian Zhao, Xuanjing Huang, Rengang Li Qi Jia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Existing video multi-modal sentiment analysis mainly focuses on the sentiment expression of people within the video, yet often neglects the induced sentiment of viewers while watching the videos. Induced sentiment of viewers is essential for inferring the public response to videos and has broad application in analyzing public societal sentiment, effectiveness of advertising and other areas. The micro videos and the related comments provide a rich application scenario for viewers’ induced sentiment analysis. In light of this, we introduces a novel research task, Multimodal Sentiment Analysis for Comment Response of Video Induced(MSA-CRVI), aims to infer opinions and emotions according to comments response to micro video. Meanwhile, we manually annotate a dataset named Comment Sentiment toward to Micro Video (CSMV) to support this research. It is the largest video multi-modal sentiment dataset in terms of scale and video duration to our knowledge, containing 107, 267 comments and 8, 210 micro videos with a video duration of 68.83 hours. To infer the induced sentiment of comment should leverage the video content, we propose the Video Content-aware Comment Sentiment Analysis (VC-CSA) method as a baseline to address the challenges inherent in this new task. Extensive experiments demonstrate that our method is showing significant improvements over other established baselines. We make the dataset and source code publicly available at https://github.com/IEIT-AGI/MSA-CRVI.
Bootstrapping Top-down Information for Self-modulating Slot Attention
Authors: Seoyeon Kim, Suha Kwak Dongwon Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Object-centric learning (OCL) aims to learn representations of individual objects within visual scenes without manual supervision, facilitating efficient and effective visual reasoning. Traditional OCL methods primarily employ bottom-up approaches that aggregate homogeneous visual features to represent objects. However, in complex visual environments, these methods often fall short due to the heterogeneous nature of visual features within an object. To address this, we propose a novel OCL framework incorporating a top-down pathway. This pathway first bootstraps the semantics of individual objects and then modulates the model to prioritize features relevant to these semantics. By dynamically modulating the model based on its own output, our top-down pathway enhances the representational quality of objects. Our framework achieves state-of-the-art performance across multiple synthetic and real-world object-discovery benchmarks.
Reinforcing LLM Agents via Policy Optimization with Action Decomposition
Authors: Ziyu Wan, Jun Wang, Weinan Zhang, Ying Wen Muning Wen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Language models as intelligent agents push the boundaries of sequential decision-making agents but struggle with limited knowledge of environmental dynamics and exponentially huge action space. Recent efforts like GLAM and TWOSOME manually constrain the action space to a restricted subset and employ reinforcement learning to align agents' knowledge with specific environments. However, they overlook fine-grained credit assignments for intra-action tokens, which is essential for efficient language agent optimization, and rely on human's prior knowledge to restrict action space. This paper proposes decomposing language agent optimization from the action level to the token level, offering finer supervision for each intra-action token and manageable optimization complexity in environments with unrestricted action spaces. Beginning with the simplification of flattening all actions, we theoretically explore the discrepancies between action-level optimization and this naive token-level optimization. We then derive the Bellman backup with Action Decomposition (BAD) to integrate credit assignments for both intra-action and inter-action tokens, effectively eliminating the discrepancies. Implementing BAD within the PPO algorithm, we introduce Policy Optimization with Action Decomposition (POAD). POAD benefits from a finer-grained credit assignment process and lower optimization complexity, leading to enhanced learning efficiency and generalization abilities in aligning language agents with interactive environments. We validate POAD across diverse testbeds, with results affirming the advantages of our approach and the correctness of our theoretical analysis. The source code can be accessed directly with this link: https://github.com/morning9393/ADRL.
Cooperative Hardware-Prompt Learning for Snapshot Compressive Imaging
Authors: Zongliang Wu, Yulun Zhang, Xin Yuan, Tao Lin, Zhiqiang Tao Jiamian Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing reconstruction models in snapshot compressive imaging systems (SCI) are trained with a single well-calibrated hardware instance, making their perfor- mance vulnerable to hardware shifts and limited in adapting to multiple hardware configurations. To facilitate cross-hardware learning, previous efforts attempt to directly collect multi-hardware data and perform centralized training, which is impractical due to severe user data privacy concerns and hardware heterogeneity across different platforms/institutions. In this study, we explicitly consider data privacy and heterogeneity in cooperatively optimizing SCI systems by proposing a Federated Hardware-Prompt learning (FedHP) framework. Rather than mitigating the client drift by rectifying the gradients, which only takes effect on the learning manifold but fails to solve the heterogeneity rooted in the input data space, FedHP learns a hardware-conditioned prompter to align inconsistent data distribution across clients, serving as an indicator of the data inconsistency among different hardware (e.g., coded apertures). Extensive experimental results demonstrate that the proposed FedHP coordinates the pre-trained model to multiple hardware con- figurations, outperforming prevalent FL frameworks for 0.35dB under challenging heterogeneous settings. Moreover, a Snapshot Spectral Heterogeneous Dataset has been built upon multiple practical SCI systems. Data and code are aveilable at https://github.com/Jiamian-Wang/FedHP-Snapshot-Compressive-Imaging.git
A Framework for Bilevel Optimization on Riemannian Manifolds
Authors: Bamdev Mishra, Pratik Jawanpuria, Akiko Takeda Andi Han
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Bilevel optimization has gained prominence in various applications. In this study, we introduce a framework for solving bilevel optimization problems, where the variables in both the lower and upper levels are constrained on Riemannian manifolds. We present several hypergradient estimation strategies on manifolds and analyze their estimation errors. Furthermore, we provide comprehensive convergence and complexity analyses for the proposed hypergradient descent algorithm on manifolds. We also extend our framework to encompass stochastic bilevel optimization and incorporate the use of general retraction. The efficacy of the proposed framework is demonstrated through several applications.
Mixture of Tokens: Continuous MoE through Cross-Example Aggregation
Authors: Michał Krutul, Maciej Pióro, Jakub Krajewski, Jan Ludziejewski, Kamil Ciebiera, Krystian Król, Tomasz Odrzygóźdź, Marek Cygan, Sebastian Jaszczur Szymon Antoniak
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Mixture of Experts (MoE) models based on Transformer architecture are pushing the boundaries of language and vision tasks. The allure of these models lies in their ability to substantially increase the parameter count without a corresponding increase in FLOPs. Most widely adopted MoE models are discontinuous with respect to their parameters - often referred to as sparse. At the same time, existing continuous MoE designs either lag behind their sparse counterparts or are incompatible with autoregressive decoding. Motivated by the observation that the adaptation of fully continuous methods has been an overarching trend in Deep Learning, we develop Mixture of Tokens (MoT), a simple, continuous architecture that is capable of scaling the number of parameters similarly to sparse MoE models. Unlike conventional methods, MoT assigns mixtures of tokens from different examples to each expert. This architecture is fully compatible with autoregressive training and generation. Our best models not only achieve a 3x increase in training speed over dense Transformer models in language pretraining but also match the performance of state-of-the-art MoE architectures. Additionally, a close connection between MoT and MoE is demonstrated through a novel technique we call transition tuning.
GENOT: Entropic (Gromov) Wasserstein Flow Matching with Applications to Single-Cell Genomics
Authors: Théo Uscidda, Fabian Theis, Marco Cuturi Dominik Klein
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Single-cell genomics has significantly advanced our understanding of cellular behavior, catalyzing innovations in treatments and precision medicine. However,single-cell sequencing technologies are inherently destructive and can only measure a limited array of data modalities simultaneously. This limitation underscoresthe need for new methods capable of realigning cells. Optimal transport (OT)has emerged as a potent solution, but traditional discrete solvers are hampered byscalability, privacy, and out-of-sample estimation issues. These challenges havespurred the development of neural network-based solvers, known as neural OTsolvers, that parameterize OT maps. Yet, these models often lack the flexibilityneeded for broader life science applications. To address these deficiencies, ourapproach learns stochastic maps (i.e. transport plans), allows for any cost function,relaxes mass conservation constraints and integrates quadratic solvers to tackle thecomplex challenges posed by the (Fused) Gromov-Wasserstein problem. Utilizingflow matching as a backbone, our method offers a flexible and effective framework.We demonstrate its versatility and robustness through applications in cell development studies, cellular drug response modeling, and cross-modality cell translation,illustrating significant potential for enhancing therapeutic strategies.
On the Complexity of Teaching a Family of Linear Behavior Cloning Learners
Authors: Stephen Wright, Adish Singla, Xiaojin Zhu Shubham Bharti
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study optimal teaching for a family of Behavior Cloning learners that learn using a linear hypothesis class. In this setup, a knowledgeable teacher can demonstrate a dataset of state and action tuples and is required to teach an optimal policy to an entire family of BC learners using the smallest possible dataset. We analyze the linear family and design a novel teaching algorithm called `TIE' that achieves the instance optimal Teaching Dimension for the entire family. However, we show that this problem is NP-hard for action spaces with $|\mathcal{A}| > 2$ and provide an efficient approximation algorithm with a $\log(|\mathcal{A}| - 1)$ guarantee on the optimal teaching size. We present empirical results to demonstrate the effectiveness of our algorithm and compare it to various baselines in different teaching environments.
TrAct: Making First-layer Pre-Activations Trainable
Authors: Christian Borgelt, Stefano Ermon Felix Petersen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the training of the first layer of vision models and notice the clear relationship between pixel values and gradient update magnitudes: the gradients arriving at the weights of a first layer are by definition directly proportional to (normalized) input pixel values. Thus, an image with low contrast has a smaller impact on learning than an image with higher contrast, and a very bright or very dark image has a stronger impact on the weights than an image with moderate brightness. In this work, we propose performing gradient descent on the embeddings produced by the first layer of the model. However, switching to discrete inputs with an embedding layer is not a reasonable option for vision models. Thus, we propose the conceptual procedure of (i) a gradient descent step on first layer activations to construct an activation proposal, and (ii) finding the optimal weights of the first layer, i.e., those weights which minimize the squared distance to the activation proposal. We provide a  closed form solution of the procedure and adjust it for robust stochastic training while computing everything efficiently. Empirically, we find that TrAct (Training Activations) speeds up training by factors between 1.25x and 4x while requiring only a small computational overhead. We demonstrate the utility of TrAct with different optimizers for a range of different vision models including convolutional and transformer architectures.
Improving Visual Prompt Tuning by Gaussian Neighborhood Minimization for Long-Tailed Visual Recognition
Authors: Ye Liu, Yang Lu, Yiqun Zhang, Yiu-ming Cheung, Hui Huang Mengke Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Long-tailed visual recognition has received increasing attention recently. Despite fine-tuning techniques represented by visual prompt tuning (VPT) achieving substantial performance improvement by leveraging pre-trained knowledge, models still exhibit unsatisfactory generalization performance on tail classes. To address this issue, we propose a novel optimization strategy called Gaussian neighborhood minimization prompt tuning (GNM-PT), for VPT to address the long-tail learning problem. We introduce a novel Gaussian neighborhood loss, which provides a tight upper bound on the loss function of data distribution, facilitating a flattened loss landscape correlated to improved model generalization. Specifically, GNM-PT seeks the gradient descent direction within a random parameter neighborhood, independent of input samples, during each gradient update. Ultimately, GNM-PT enhances generalization across all classes while simultaneously reducing computational overhead. The proposed GNM-PT achieves state-of-the-art classification accuracies of 90.3%, 76.5%, and 50.1% on benchmark datasets CIFAR100-LT (IR 100), iNaturalist 2018, and Places-LT, respectively. The source code is available at https://github.com/Keke921/GNM-PT.
Fine-Grained Dynamic Framework for Bias-Variance Joint Optimization on Data Missing Not at Random
Authors: Xuewen Tao, Wenfang Lin, Qiongxu Ma, Wujiang Xu, Linxun Chen Mingming Ha
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In most practical applications such as recommendation systems, display advertising, and so forth, the collected data often contains missing values and those missing values are generally missing-not-at-random, which deteriorates the prediction performance of models. Some existing estimators and regularizers attempt to achieve unbiased estimation to improve the predictive performance. However, variances and generalization bound of these methods are generally unbounded when the propensity scores tend to zero, compromising their stability and robustness. In this paper, we first theoretically reveal that limitations of regularization techniques. Besides, we further illustrate that, for more general estimators, unbiasedness will inevitably lead to unbounded variance. These general laws inspire us that the estimator designs is not merely about eliminating bias, reducing variance, or simply achieve a bias-variance trade-off. Instead, it involves a quantitative joint optimization of bias and variance. Then, we develop a systematic fine-grained dynamic learning framework to jointly optimize bias and variance, which adaptively selects an appropriate estimator for each user-item pair according to the predefined objective function. With this operation, the generalization bounds and variances of models are reduced and bounded with theoretical guarantees. Extensive experiments are conducted to verify the theoretical results and the effectiveness of the proposed dynamic learning framework.
Pretraining Codomain Attention Neural Operators for Solving Multiphysics PDEs
Authors: Robert Joseph George, Mogab Elleithy, Daniel Leibovici, Zongyi Li, Boris Bonev, Colin White, Julius Berner, Raymond A. Yeh, Jean Kossaifi, Kamyar Azizzadenesheli, Anima Anandkumar Md Ashiqur Rahman
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing neural operator architectures face challenges when solving multiphysics problems with coupled partial differential equations (PDEs) due to complex geometries, interactions between physical variables, and the limited amounts of high-resolution training data. To address these issues, we propose Codomain Attention Neural Operator (CoDA-NO), which tokenizes functions along the codomain or channel space, enabling self-supervised learning or pretraining of multiple PDE systems. Specifically, we extend positional encoding, self-attention, and normalization layers to function spaces. CoDA-NO can learn representations of different PDE systems with a single model. We evaluate CoDA-NO's potential as a backbone for learning multiphysics PDEs over multiple systems by considering few-shot learning settings. On complex downstream tasks with limited data, such as fluid flow simulations, fluid-structure interactions, and Rayleigh-Bénard convection, we found CoDA-NO to outperform existing methods by over 36%.
BiScope: AI-generated Text Detection by Checking Memorization of Preceding Tokens
Authors: Siyuan Cheng, Xiaolong Jin, Zhuo Zhang, Kaiyuan Zhang, Guanhong Tao, Guangyu Shen, Xiangyu Zhang Hanxi Guo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Detecting text generated by Large Language Models (LLMs) is a pressing need in order to identify and prevent misuse of these powerful models in a wide range of applications, which have highly undesirable consequences such as misinformation and academic dishonesty. Given a piece of subject text, many existing detection methods work by measuring the difficulty of LLM predicting the next token in the text from their prefix. In this paper, we make a critical observation that how well the current token’s output logits memorizes the closely preceding input tokens also provides strong evidence. Therefore, we propose a novel bi-directional calculation method that measures the cross-entropy losses between an output logits and the ground-truth token (forward) and between the output logits and the immediately preceding input token (backward). A classifier is trained to make the final prediction based on the statistics of these losses. We evaluate our system, named BISCOPE, on texts generated by five latest commercial LLMs across five heterogeneous datasets, including both natural language and code. BISCOPE demonstrates superior detection accuracy and robustness compared to six existing baseline methods, exceeding the state-of-the-art non-commercial methods’ detection accuracy by over 0.30 F1 score, achieving over 0.95 detection F1 score on average. It also outperforms the best commercial tool GPTZero that is based on a commercial LLM trained with an enormous volume of data. Code is available at https://github.com/MarkGHX/BiScope.
Principled Bayesian Optimization in Collaboration with Human Experts
Authors: Masaki Adachi, Colin N. Jones, Michael A. Osborne Wenjie Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Bayesian optimisation for real-world problems is often performed interactively with human experts, and integrating their domain knowledge is key to accelerate the optimisation process. We consider a setup where experts provide advice on the next query point through binary accept/reject recommendations (labels). Experts’ labels are often costly, requiring efficient use of their efforts, and can at the same time be unreliable, requiring careful adjustment of the degree to which any expert is trusted. We introduce the first principled approach that provides two key guarantees. (1) Handover guarantee: similar to a no-regret property, we establish a sublinear bound on the cumulative number of experts’ binary labels. Initially, multiple labels per query are needed, but the number of expert labels required asymptotically converges to zero, saving both expert effort and computation time. (2) No-harm guarantee with data-driven trust level adjustment: our adaptive trust level ensures that the convergence rate will not be worse than the one without using advice, even if the advice from experts is adversarial. Unlike existing methods that employ a user-defined function that hand-tunes the trust level adjustment, our approach enables data-driven adjustments. Real-world applications empirically demonstrate that our method not only outperforms existing baselines, but also maintains robustness despite varying labelling accuracy, in tasks of battery design with human experts.
SeeA*: Efficient Exploration-Enhanced A* Search by Selective Sampling
Authors: Shikui Tu, Lei Xu Dengwei Zhao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Monte-Carlo tree search (MCTS) and reinforcement learning contributed crucially to the success of AlphaGo and AlphaZero, and A$^*$ is a tree search algorithm among the most well-known ones in the classical AI literature. MCTS and  A$^*$ both perform heuristic search and are mutually beneficial. Efforts have been made to the renaissance of A$^*$ from three possible aspects, two of which have been confirmed by studies in recent years, while the third is about the OPEN list that consists of open nodes of A$^*$ search, but still lacks deep investigation. This paper aims at the third, i.e., developing the Sampling-exploration enhanced A$^*$ (SeeA$^*$) search by constructing a dynamic subset of OPEN through a selective sampling process, such that the node with the best heuristic value in this subset instead of in the OPEN is expanded. Nodes with the best heuristic values in OPEN are most probably picked into this subset, but sometimes may not be included, which enables SeeA$^*$ to explore other promising branches. Three sampling techniques are presented for comparative investigations. Moreover, under the assumption about the distribution of prediction errors, we have theoretically shown the superior efficiency of SeeA$^*$ over A$^*$ search, particularly when the accuracy of the guiding heuristic function is insufficient. Experimental results on retrosynthetic planning in organic chemistry, logic synthesis in integrated circuit design, and the classical Sokoban game empirically demonstrate the efficiency of SeeA$^*$, in comparison with the state-of-the-art heuristic search algorithms.
Optimal Flow Matching: Learning Straight Trajectories in Just One Step
Authors: Petr Mokrov, Alexander Gasnikov, Alexander Korotin Nikita Kornilov
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Over the several recent years, there has been a boom in development of Flow Matching (FM) methods for generative modeling. One intriguing property pursued by the community is the ability to learn flows with straight trajectories which realize the Optimal Transport (OT) displacements. Straightness is crucial for the fast integration (inference) of the learned flow's paths. Unfortunately, most existing flow straightening methods are based on non-trivial iterative FM procedures which accumulate the error during training or exploit heuristics based on minibatch OT. To address these issues, we develop and theoretically justify the novel Optimal Flow Matching approach which allows recovering the straight OT displacement for the quadratic transport in just one FM step. The main idea of our approach is the employment of vector field for FM which are parameterized by convex functions. The code of our OFM implementation and the conducted experiments is available at https://github.com/Jhomanik/Optimal-Flow-Matching
Logical characterizations of recurrent graph neural networks with reals and floats
Authors: Damian Heiman, Antti Kuusisto, Carsten Lutz Veeti Ahvonen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In pioneering work from 2019, Barceló and coauthors identified logics that precisely match the expressive power of constant iteration-depth graph neural networks (GNNs) relative to properties definable in first-order logic. In this article, we give exact logical characterizations of recurrent GNNs in two scenarios: (1) in the setting with floating-point numbers and (2) with reals. For floats, the formalism matching recurrent GNNs is a rule-based modal logic with counting, while for reals we use a suitable infinitary modal logic, also with counting. These results give exact matches between logics and GNNs in the recurrent setting without relativising to a background logic in either case, but using some natural assumptions about floating-point arithmetic. Applying our characterizations, we also prove that, relative to graph properties definable in monadic second-order logic (MSO), our infinitary and rule-based logics are equally expressive. This implies that recurrent GNNs with reals and floats have the same expressive power over MSO-definable properties and shows that, for such properties, also recurrent GNNs with reals are characterized by a (finitary!) rule-based modal logic. In the general case, in contrast, the expressive power with floats is weaker than with reals. In addition to logic-oriented results, we also characterize recurrent GNNs, with both reals and floats, via distributed automata, drawing links to distributed computing models.
In-Context Symmetries: Self-Supervised Learning through Contextual World Models
Authors: Chenyu Wang, Yifei Wang, Tommi Jaakkola, Stefanie Jegelka Sharut Gupta
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: At the core of self-supervised learning for vision is the idea of learning invariant or equivariant representations with respect to a set of data transformations. This approach, however, introduces strong inductive biases, which can render the representations fragile in downstream tasks that do not conform to these symmetries. In this work, drawing insights from world models, we propose to instead learn a general representation that can adapt to be invariant or equivariant to different transformations by paying attention to context --- a memory module that tracks task-specific states, actions and future states. Here, the action is the transformation, while the current and future states respectively represent the input's representation before and after the transformation.  Our proposed algorithm, Contextual Self Supervised Learning (ContextSSL), learns equivariance to all transformations (as opposed to invariance). In this way, the model can learn to encode all relevant features as general representations while having the versatility to tail down to task-wise symmetries when given a few examples as the context. Empirically, we demonstrate significant performance gains over existing methods on equivariance-related tasks, supported by both qualitative and quantitative evaluations.
Efficient Federated Learning against Heterogeneous and Non-stationary Client Unavailability
Authors: Stratis Ioannidis, Edmund Yeh, Carlee Joe-Wong, Lili Su Ming Xiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Addressing intermittent client availability is critical for the real-world deployment of federated learning algorithms. Most prior work either overlooks the potential non-stationarity in the dynamics of client unavailability or requires substantial memory/computation overhead. We study federated learning in the presence of heterogeneous and non-stationary client availability, which may occur when the deployment environments are uncertain, or the clients are mobile. The impacts of heterogeneity and non-stationarity on client unavailability can be significant, as we illustrate using FedAvg, the most widely adopted federated learning algorithm. We propose FedAWE, which includes novel algorithmic structures that (i) compensate for missed computations due to unavailability with only $O(1)$ additional memory and computation with respect to standard FedAvg, and (ii) evenly diffuse local updates within the federated learning system through implicit gossiping, despite being agnostic to non-stationary dynamics. We show that FedAWE converges to a stationary point of even non-convex objectives while achieving the desired linear speedup property. We corroborate our analysis with numerical experiments over diversified client unavailability dynamics on real-world data sets.
RFLPA: A Robust Federated Learning Framework against Poisoning Attacks with Secure Aggregation
Authors: Ran Yan, Yan Pang Peihua Mai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Federated learning (FL) allows multiple devices to train a model collaboratively without sharing their data. Despite its benefits, FL is vulnerable to privacy leakage and poisoning attacks. To address the privacy concern, secure aggregation (SecAgg) is often used to obtain the aggregation of gradients on sever without inspecting individual user updates. Unfortunately, existing defense strategies against poisoning attacks rely on the analysis of local updates in plaintext, making them incompatible with SecAgg. To reconcile the conflicts, we propose a robust federated learning framework against poisoning attacks (RFLPA) based on SecAgg protocol. Our framework computes the cosine similarity between local updates and server updates to conduct robust aggregation. Furthermore, we leverage verifiable packed Shamir secret sharing to achieve reduced communication cost of $O(M+N)$ per user, and design a novel dot product aggregation algorithm to resolve the issue of increased information leakage. Our experimental results show that RFLPA significantly reduces communication and computation overhead by over $75\%$ compared to the state-of-the-art secret sharing method, BREA, while maintaining competitive accuracy.
Algorithmic Capabilities of Random Transformers
Authors: Jacob Andreas Ziqian Zhong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Trained transformer models have been found to implement interpretable procedures for tasks like arithmetic and associative recall, but little is understood about how the circuits that implement these procedures originate during training. To what extent do they depend on the supervisory signal provided to models, and to what extent are they attributable to behavior already present in models at the beginning of training? To investigate these questions, we investigate what functions can be learned by randomly initialized transformers in which only the embedding layers are optimized, so that the only input--output mappings learnable from data are those already implemented (up to a choice of encoding scheme) by the randomly initialized model. We find that these random transformers can perform a wide range of meaningful algorithmic tasks, including modular arithmetic, in-weights and in-context associative recall, decimal addition, parenthesis balancing, and even some aspects of natural language text generation. Our results indicate that some algorithmic capabilities are present in transformers (and accessible via appropriately structured inputs) even before these models are trained.
Markovian Flow Matching: Accelerating MCMC with Continuous Normalizing Flows
Authors: Louis Sharrock, Christopher Nemeth Alberto Cabezas
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Continuous normalizing flows (CNFs) learn the probability path between a reference distribution and a target distribution by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a simple and inexpensive method for training CNFs in generative modeling, termed flow matching (FM). In this paper, we repurpose this method for probabilistic inference by incorporating Markovian sampling methods in evaluating the FM objective, and using the learned CNF to improve Monte Carlo sampling. Specifically, we propose an adaptive Markov chain Monte Carlo (MCMC) algorithm, which combines a local Markov transition kernel with a non-local, flow-informed transition kernel, defined using a CNF. This CNF is adapted on-the-fly using samples from the Markov chain, which are used to specify the probability path for the FM objective. Our method also includes an adaptive tempering mechanism that allows the discovery of multiple modes in the target distribution. Under mild assumptions, we establish convergence of our method to a local optimum of the FM objective. We then benchmark our approach on several synthetic and real-world examples, achieving similar performance to other state-of-the-art methods but often at a significantly lower computational cost.
Distributional Preference Alignment of LLMs via Optimal Transport
Authors: Youssef Mroueh, Brian Belgodere, Mattia Rigotti, Apoorva Nitsure, Mikhail Yurochkin, Kristjan Greenewald, Jiri Navratil, Jarret Ross Igor Melnyk
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current LLM alignment techniques use pairwise human preferences at a sample level, and as such, they do not imply an alignment on the distributional level. We propose in this paper Alignment via  Optimal Transport (AOT), a novel method for distributional preference alignment of LLMs. AOT aligns LLMs on unpaired preference data by making the reward distribution of the positive samples stochastically dominant in the first order on the distribution of negative samples. We introduce a convex relaxation of this first-order stochastic dominance and cast it as an optimal transport problem with a smooth and convex cost. Thanks to the one-dimensional nature of the resulting optimal transport problem and the convexity of the cost, it has a closed-form solution via sorting on empirical measures.  We fine-tune LLMs with this AOT objective, which enables alignment by penalizing the violation of the stochastic dominance of the reward distribution of the positive samples on the reward distribution of the negative samples. We analyze the sample complexity of AOT by considering the dual of the OT problem and show that it converges at the parametric rate. Empirically, we show on a diverse set of alignment datasets and LLMs that AOT leads to state-of-the-art models in the 7B family of models when evaluated with Open LLM Benchmarks and AlpacaEval.  Code for $\mathsf{AOT}$ is available in the Hugging Face  TRL library  \url{https://ibm.biz/AOT_TRL}.
Probabilistic Decomposed Linear Dynamical Systems for Robust Discovery of Latent Neural Dynamics
Authors: Noga Mudrik, Kyle A. Johnsen, Sankaraleengam Alagapan, Adam S. Charles, Christopher J. Rozell Yenho Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Time-varying linear state-space models are powerful tools for obtaining mathematically interpretable representations of neural signals. For example, switching and decomposed models describe complex systems using latent variables that evolve according to simple locally linear dynamics. However, existing methods for latent variable estimation are not robust to dynamical noise and system nonlinearity due to noise-sensitive inference procedures and limited model formulations. This can lead to inconsistent results on signals with similar dynamics, limiting the model's ability to provide scientific insight. In this work, we address these limitations and propose a probabilistic approach to latent variable estimation in decomposed models that improves robustness against dynamical noise. Additionally, we introduce an extended latent dynamics model to improve robustness against system nonlinearities. We evaluate our approach on several synthetic dynamical systems, including an empirically-derived brain-computer interface experiment, and demonstrate more accurate latent variable inference in nonlinear systems with diverse noise conditions. Furthermore, we apply our method to a real-world clinical neurophysiology dataset, illustrating the ability to identify interpretable and coherent structure where previous models cannot.
Stepwise Alignment for Constrained Language Model Policy Optimization
Authors: Thien Q. Tran, Rei Sato, Takumi Tanabe, Youhei Akimoto Akifumi Wachi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Safety and trustworthiness are indispensable requirements for real-world applications of AI systems using large language models (LLMs). This paper formulates human value alignment as an optimization problem of the language model policy to maximize reward under a safety constraint, and then proposes an algorithm, Stepwise Alignment for Constrained Policy Optimization (SACPO). One key idea behind SACPO, supported by theory, is that the optimal policy incorporating reward and safety can be directly obtained from a reward-aligned policy. Building on this key idea, SACPO aligns LLMs step-wise with each metric while leveraging simple yet powerful alignment algorithms such as direct preference optimization (DPO). SACPO offers several advantages, including simplicity, stability, computational efficiency, and flexibility of algorithms and datasets. Under mild assumptions, our theoretical analysis provides the upper bounds on optimality and safety constraint violation. Our experimental results show that SACPO can fine-tune Alpaca-7B better than the state-of-the-art method in terms of both helpfulness and harmlessness.
Lisa: Lazy Safety Alignment for Large Language Models against Harmful Fine-tuning Attack
Authors: Sihao Hu, Fatih Ilhan, Selim Furkan Tekin, Ling Liu Tiansheng Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent studies show that Large Language Models (LLMs) with safety alignment can be jail-broken by fine-tuning on a dataset mixed with harmful data. For the first time in the literature, we show that the jail-break effect can be mitigated by separating two states in the fine-tuning stage to respectively optimize over the alignment and user datasets. Unfortunately, our subsequent study shows that this simple Bi-State Optimization (BSO) solution experiences convergence instability when steps invested in its alignment state is too small, leading to downgraded alignment performance. By statistical analysis, we show that the \textit{excess drift} towards the switching iterates of the two states could be a probable reason for the instability. To remedy this issue, we propose \textbf{L}azy(\textbf{i}) \textbf{s}afety \textbf{a}lignment (\textbf{Lisa}), which introduces a proximal term to constraint the drift of each state. Theoretically, the benefit of the proximal term is supported by the convergence analysis, wherein we show that a sufficient large proximal factor is necessary to guarantee Lisa's convergence.   Empirically, our results on four downstream fine-tuning tasks show that Lisa with a proximal term can significantly increase alignment performance while maintaining the LLM's accuracy on the user tasks.  Code is available at https://github.com/git-disl/Lisa.