GenAI4ELab/papercli-papers huggingface dataset:
Efficient Policy Evaluation Across Multiple Different Experimental Datasets
Authors: Yonghan Jung; Alexis Bellot
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Artificial intelligence systems are trained combining various observational and experimental datasets from different source sites, and are increasingly used to reason about the effectiveness of candidate policies. One common assumption in this context is that the data in source and target sites (where the candidate policy is due to be deployed) come from the same distribution. This assumption is often violated in practice, causing challenges for generalization, transportability, or external validity. Despite recent advances for determining the identifiability of the effectiveness of policies in a target domain, there are still challenges for the accurate estimation of effects from finite samples. In this paper, we develop novel graphical criteria and estimators for evaluating the effectiveness of policies (e.g., conditional, stochastic) by combining data from multiple experimental studies. Asymptotic error analysis of our estimators provides fast convergence guarantee. We empirically verified the robustness of estimators through simulations.
Moving Off-the-Grid: Scene-Grounded Video Representations
Authors: Sjoerd van Steenkiste; Daniel Zoran; Yi Yang; Yulia Rubanova; Rishabh Kabra; Carl Doersch; Dilara Gokay; Joseph Heyward; Etienne Pot; Klaus Greff; Drew A. Hudson; Thomas Albert Keck; Joao Carreira; Alexey Dosovitskiy; Mehdi S. M. Sajjadi; Thomas Kipf
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Current vision models typically maintain a fixed correspondence between their representation structure and image space.
Each layer comprises a set of tokens arranged “on-the-grid,” which biases patches or tokens to encode information at a specific spatio(-temporal) location. In this work we present *Moving Off-the-Grid* (MooG), a self-supervised video representation model that offers an alternative approach, allowing tokens to move “off-the-grid” to better enable them to represent scene elements consistently, even as they move across the image plane through time. By using a combination of cross-attention and positional embeddings we disentangle the representation structure and image structure. We find that a simple self-supervised objective—next frame prediction—trained on video data, results in a set of latent tokens which bind to specific scene structures and track them as they move. We demonstrate the usefulness of MooG’s learned representation both qualitatively and quantitatively by training readouts on top of the learned representation on a variety of downstream tasks. We show that MooG can provide a strong foundation for different vision tasks when compared to “on-the-grid” baselines.
EPIC: Effective Prompting for Imbalanced-Class Data Synthesis in Tabular Data Classification via Large Language Models
Authors: Jinhee Kim; Taesung Kim; Jaegul Choo
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Large language models (LLMs) have demonstrated remarkable in-context learning capabilities across diverse applications. In this work, we explore the effectiveness of LLMs for generating realistic synthetic tabular data, identifying key prompt design elements to optimize performance. We introduce EPIC, a novel approach that leverages balanced, grouped data samples and consistent formatting with unique variable mapping to guide LLMs in generating accurate synthetic data across all classes, even for imbalanced datasets. Evaluations on real-world datasets show that EPIC achieves state-of-the-art machine learning classification performance, significantly improving generation efficiency. These findings highlight the effectiveness of EPIC for synthetic tabular data generation, particularly in addressing class imbalance.
Towards Human-AI Complementarity with Prediction Sets
Authors: Giovanni De Toni; Nastaran Okati; Suhas Thejaswi; Eleni Straitouri; Manuel Gomez Rodriguez
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Decision support systems based on prediction sets have proven to be effective at helping human experts solve classification tasks. Rather than providing single-label predictions, these systems provide sets of label predictions constructed using conformal prediction, namely prediction sets, and ask human experts to predict label values from these sets. In this paper, we first show that the prediction sets constructed using conformal prediction are, in general, suboptimal in terms of average accuracy. Then, we show that the problem of finding the optimal prediction sets under which the human experts achieve the highest average accuracy is NP-hard. More strongly, unless P = NP, we show that the problem is hard to approximate to any factor less than the size of the label set. However, we introduce a simple and efficient greedy algorithm that, for a large class of expert models and non-conformity scores, is guaranteed to find prediction sets that provably offer equal or greater performance than those constructed using conformal prediction. Further, using a simulation study with both synthetic and real expert predictions, we demonstrate that, in practice, our greedy algorithm finds near-optimal prediction sets offering greater performance than conformal prediction.
SpGesture: Source-Free Domain-adaptive sEMG-based Gesture Recognition with Jaccard Attentive Spiking Neural Network
Authors: Weiyu Guo; Ying Sun; Yijie Xu; Ziyue Qiao; Yongkui Yang; Hui Xiong
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Surface electromyography (sEMG) based gesture recognition offers a natural and intuitive interaction modality for wearable devices. Despite significant advancements in sEMG-based gesture recognition models, existing methods often suffer from high computational latency and increased energy consumption. Additionally, the inherent instability of sEMG signals, combined with their sensitivity to distribution shifts in real-world settings, compromises model robustness. 
To tackle these challenges, we propose a novel SpGesture framework based on Spiking Neural Networks, which possesses several unique merits compared with existing methods: (1) Robustness: By utilizing membrane potential as a memory list, we pioneer the introduction of Source-Free Domain Adaptation into SNN for the first time. This enables SpGesture to mitigate the accuracy degradation caused by distribution shifts. (2) High Accuracy: With a novel Spiking Jaccard Attention, SpGesture enhances the SNNs' ability to represent sEMG features, leading to a notable rise in system accuracy. To validate SpGesture's performance, we collected a new sEMG gesture dataset which has different forearm postures, where SpGesture achieved the highest accuracy among the baselines ($89.26\%$). Moreover, the actual deployment on the CPU demonstrated a latency below 100ms, well within real-time requirements. This impressive performance showcases SpGesture's potential to enhance the applicability of sEMG in real-world scenarios. The code is available at https://github.com/guoweiyu/SpGesture/.
PGN: The RNN's New Successor is Effective for Long-Range Time Series Forecasting
Authors: Yuxin Jia; Youfang Lin; Jing Yu; Shuo Wang; Tianhao Liu; Huaiyu Wan
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Due to the recurrent structure of RNN, the long information propagation path poses limitations in capturing long-term dependencies, gradient explosion/vanishing issues, and inefficient sequential execution. Based on this, we propose a novel paradigm called Parallel Gated Network (PGN) as the new successor to RNN. PGN directly captures information from previous time steps through the designed Historical Information Extraction (HIE) layer and leverages gated mechanisms to select and fuse it with the current time step information. This reduces the information propagation path to $\mathcal{O}(1)$, effectively addressing the limitations of RNN. To enhance PGN's performance in long-range time series forecasting tasks, we propose a novel temporal modeling framework called Temporal PGN (TPGN). TPGN incorporates two branches to comprehensively capture the semantic information of time series. One branch utilizes PGN to capture long-term periodic patterns while preserving their local characteristics. The other branch employs patches to capture short-term information and aggregate the global representation of the series. TPGN achieves a theoretical complexity of $\mathcal{O}(\sqrt{L})$, ensuring efficiency in its operations. Experimental results on five benchmark datasets demonstrate the state-of-the-art (SOTA) performance and high efficiency of TPGN, further confirming the effectiveness of PGN as the new successor to RNN in long-range time series forecasting. The code is available in this repository: https://github.com/Water2sea/TPGN.
Generating compositional scenes via Text-to-image RGBA Instance Generation
Authors: Alessandro Fontanella; Petru-Daniel Tudosiu; Yongxin Yang; Shifeng Zhang; Sarah Parisot
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Text-to-image diffusion generative models can generate high quality images at the cost of tedious prompt engineering. Controllability can be improved by introducing layout conditioning, however existing methods lack layout editing ability and fine-grained control over object attributes. The concept of multi-layer generation holds great potential to address these limitations, however generating image instances concurrently to scene composition limits control over fine-grained object attributes, relative positioning in 3D space and scene manipulation abilities. In this work, we propose a novel multi-stage generation paradigm that is designed for fine-grained control, flexibility and interactivity. To ensure control over instance attributes, we devise a novel training paradigm to adapt a diffusion model to generate isolated scene components as RGBA images with transparency information. To build complex images, we employ these pre-generated instances and introduce a multi-layer composite generation process that smoothly assembles components in realistic scenes. Our experiments show that our RGBA diffusion model is capable of generating diverse and high quality instances with precise control over object attributes. Through multi-layer composition, we demonstrate that our approach allows to build and manipulate images from highly complex prompts with fine-grained control over object appearance and location, granting a higher degree of control than competing methods.
Overcoming Brittleness in Pareto-Optimal Learning Augmented Algorithms
Authors: Alex Elenter; Spyros Angelopoulos; Christoph Dürr; Yanni LEFKI
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The study of online algorithms with machine-learned predictions has gained considerable prominence in recent years. One of the common objectives in the design and analysis of such algorithms is to attain (Pareto) optimal tradeoffs between the {\em consistency} of the algorithm, i.e., its performance assuming perfect predictions, and its {\em robustness}, i.e., the performance of the algorithm under adversarial predictions. In this work, we demonstrate that this optimization criterion can be extremely brittle, in that the performance of Pareto-optimal algorithms may degrade dramatically even in the presence of imperceptive prediction error. To remedy this drawback, we propose a new framework in which the smoothness in the performance of the algorithm is enforced by means of a {\em user-specified profile}. This allows us to regulate the performance of the algorithm as a function of the prediction error, while simultaneously
maintaining the analytical notion of consistency/robustness tradeoffs, adapted to the profile setting. We apply this new approach to a well-studied online problem, namely the {\em one-way trading} problem. For this problem, we further address another limitation of the state-of-the-art Pareto-optimal algorithms, namely the fact that they are tailored to worst-case, and extremely pessimistic inputs. We propose a new Pareto-optimal algorithm that leverages any deviation from the worst-case input to its benefit, and introduce a new metric that allows us to compare any two Pareto-optimal algorithms via a {\em dominance} relation.
Plant-and-Steal: Truthful Fair Allocations via Predictions
Authors: Ilan Reuven Cohen; Alon Eden; Talya Eden; Arsen Vasilyan
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We study truthful mechanisms for approximating the Maximin-Share (MMS) allocation of agents with additive valuations for indivisible goods. Algorithmically, constant factor approximations exist for the problem for any number of agents. When adding incentives to the mix, a jarring result by Amanatidis, Birmpas, Christodoulou, and  Markakis [EC 2017] shows that the best possible approximation for two agents and $m$ items is $\lfloor \frac{m}{2} \rfloor$. We adopt a learning-augmented framework to investigate what is possible when some prediction on the input is given. For two agents, we give a truthful mechanism that takes agents' ordering over items as prediction. When the prediction is accurate, we give a $2$-approximation to the MMS  (consistency), and when the prediction is off, we still get an $\lceil \frac{m}{2} \rceil$-approximation to the MMS (robustness). We further show that the mechanism's performance degrades gracefully in the number of ``mistakes" in the prediction; i.e., we interpolate (up to constant factors) between the two extremes: when there are no mistakes, and when there is a maximum number of mistakes. We also show an impossibility result on the obtainable consistency for mechanisms with finite robustness. For the general case of $n\ge 2$ agents, we give a 2-approximation mechanism for accurate predictions, with relaxed fallback guarantees. Finally, we give experimental results which illustrate when different components of  our framework, made to insure consistency and robustness, come into play.
Aligner: Efficient Alignment by Learning to Correct
Authors: Jiaming Ji; Boyuan Chen; Hantao Lou; Donghai Hong; Borong Zhang; Xuehai Pan; Tianyi Qiu; Juntao Dai; Yaodong Yang
Venue: NeurIPS 2024 (NeurIPS 2024 oral)

Abstract: With the rapid development of large language models (LLMs) and ever-evolving practical requirements, finding an efficient and effective alignment method has never been more critical. However, the tension between the complexity of current alignment methods and the need for rapid iteration in deployment scenarios necessitates the development of a model-agnostic alignment approach that can operate under these constraints. In this paper, we introduce Aligner, a novel and simple alignment paradigm that learns the correctional residuals between preferred and dispreferred answers using a small model. Designed as a model-agnostic, plug-and-play module, Aligner can be directly applied to various open-source and API-based models with only one-off training, making it suitable for rapid iteration. Notably, Aligner can be applied to any powerful, large-scale upstream models. Moreover, it can even iteratively bootstrap the upstream models using corrected responses as synthetic human preference data, breaking through the model's performance ceiling. Our experiments demonstrate performance improvements by deploying the same Aligner model across 11 different LLMs, evaluated on the 3H dimensions (helpfulness, harmlessness, and honesty). Specifically, Aligner-7B has achieved an average improvement of 68.9% in helpfulness and 22.8% in harmlessness across the tested LLMs while also effectively reducing hallucination. In the Alpaca-Eval leaderboard, stacking Aligner-2B on GPT-4 Turbo improved its LC Win Rate from 55.0% to 58.3%, surpassing GPT-4 Omni's 57.5% Win Rate (community report).
Entrywise error bounds for low-rank approximations of kernel matrices
Authors: Alexander Modell
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In this paper, we derive *entrywise* error bounds for low-rank approximations of kernel matrices obtained using the truncated eigen-decomposition (or singular value decomposition). While this approximation is well-known to be optimal with respect to the spectral and Frobenius norm error, little is known about the statistical behaviour of individual entries. Our error bounds fill this gap. A key technical innovation is a delocalisation result for the eigenvectors of the kernel matrix corresponding to small eigenvalues, which takes inspiration from the field of Random Matrix Theory. Finally, we validate our theory with an empirical study of a collection of synthetic and real-world datasets.
Learning to Cooperate with Humans using Generative Agents
Authors: Yancheng Liang; Daphne Chen; Abhishek Gupta; Simon Shaolei Du; Natasha Jaques
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Training agents that can coordinate zero-shot with humans is a key mission in multi-agent reinforcement learning (MARL). Current algorithms focus on training simulated human partner policies which are then used to train a Cooperator agent. The simulated human is produced either through behavior cloning over a dataset of human cooperation behavior, or by using MARL to create a population of simulated agents. However, these approaches often struggle to produce a Cooperator that can coordinate well with real humans, since the simulated humans fail to cover the diverse strategies and styles employed by people in the real world.  We show \emph{learning a generative model of human partners} can effectively address this issue. Our model learns a latent variable representation of the human that can be regarded as encoding the human's unique strategy, intention, experience, or style. This generative model can be flexibly trained from any (human or neural policy) agent interaction data. By sampling from the latent space, we can use the generative model to produce different partners to train Cooperator agents. We evaluate our method---Generative Agent Modeling for Multi-agent Adaptation (GAMMA)---on Overcooked, a challenging cooperative cooking game that has become a standard benchmark for zero-shot coordination. We conduct an evaluation with real human teammates, and the results show that GAMMA consistently improves performance, whether the generative model is trained on simulated populations or human datasets. Further, we propose a method for posterior sampling from the generative model that is biased towards the human data, enabling us to efficiently improve performance with only a small amount of expensive human interaction data.
Swift Sampler: Efficient Learning of Sampler by 10 Parameters
Authors: Jiawei Yao; Chuming Li; Canran Xiao
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Data selection is essential for training deep learning models. An effective data sampler assigns proper sampling probability for training data and helps the model converge to a good local minimum with high performance. Previous studies in data sampling are mainly based on heuristic rules or learning through a huge amount of time-consuming trials. In this paper, we propose an automatic swift sampler search algorithm, SS, to explore automatically learning effective samplers efficiently. In particular, SS utilizes a novel formulation to map a sampler to a low dimension of hyper-parameters and uses an approximated local minimum to quickly examine the quality of a sampler. Benefiting from its low computational expense, SS can be applied on large-scale data sets with high efficiency. Comprehensive experiments on various tasks demonstrate that SS powered sampling can achieve obvious improvements (e.g., 1.5% on ImageNet) and transfer among different neural networks. Project page: https://github.com/Alexander-Yao/Swift-Sampler.
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
Authors: Xiangxin Zhou; Jiaqi Guan; Yijia Zhang; Xingang Peng; Liang Wang; Jianzhu Ma
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success that deep generative models have achieved in structure-based drug design in recent years, we formulate dual-target drug design as a generative task and curate a novel dataset of potential target pairs based on synergistic drug combinations. We propose to design dual-target drugs with diffusion models that are trained on single-target protein-ligand complex pairs. Specifically, we align two pockets in 3D space with protein-ligand binding priors and build two complex graphs with shared ligand nodes for SE(3)-equivariant composed message passing, based on which we derive a composed drift in both 3D and categorical probability space in the generative process. Our algorithm can well transfer the knowledge gained in single-target pretraining to dual-target scenarios in a zero-shot manner. We also repurpose linker design methods as strong baselines for this task. Extensive experiments demonstrate the effectiveness of our method compared with various baselines.
Diffeomorphic interpolation for efficient persistence-based topological optimization
Authors: Mathieu Carrière; Marc Theveneau; Théo Lacombe
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Topological Data Analysis (TDA) provides a pipeline to extract quantitative and powerful topological descriptors from structured objects. 
This enables the definition of topological loss functions, which assert to which extent a given object exhibits some topological properties. 
One can then use these losses to perform topological optimization via gradient descent routines. 
While theoretically sounded, topological optimization faces an important challenge: gradients tend to be extremely sparse, in the sense that the loss function typically depends (locally) on only very few coordinates of the input object, yielding dramatically slow optimization schemes in practice. 

In this work, focusing on the central case of topological optimization for point clouds, we propose to overcome this limitation using diffeomorphic interpolation, turning sparse gradients into smooth vector fields defined on the whole space. 
In particular, this approach combines efficiently with subsampling techniques routinely used in TDA, as the diffeomorphism derived from the gradient computed on the subsample can be used to update the coordinates of the full and possibly large input object. We then illustrate the usefulness of our approach on black-box autoencoder (AE) regularization, where we aim at applying some topological priors on the latent spaces associated to fixed, black-box AE models without modifying their (unknown) architectures and parameters. We empirically show that, while vanilla topological optimization has to be re-run every time that new data comes out of the black-box models, learning a diffeomorphic flow can be done once and then re-applied to new data in linear time. Moreover, reverting the flow allows us to generate data by sampling the topologically-optimized latent space directly, allowing for better interpretability of the model.