GenAI4ELab/papercli-papers huggingface dataset:
Active learning of neural population dynamics using two-photon holographic optogenetics
Authors: Andrew Wagenmaker; Lu Mi; Marton Rozsa; Matthew Storm Bull; Karel Svoboda; Kayvon Daie; Matthew D. Golub; Kevin Jamieson
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recent advances in techniques for monitoring and perturbing neural populations have greatly enhanced our ability to study circuits in the brain.  In particular, two-photon holographic optogenetics now enables precise photostimulation of experimenter-specified groups of individual neurons, while simultaneous two-photon calcium imaging enables the measurement of ongoing and induced activity across the neural population. Despite the enormous space of potential photostimulation patterns and the time-consuming nature of photostimulation experiments, very little algorithmic work has been done to determine the most effective photostimulation patterns for identifying the neural population dynamics. Here, we develop methods to efficiently select which neurons to stimulate such that the resulting neural responses will best inform a dynamical model of the neural population activity. Using neural population responses to photostimulation in mouse motor cortex, we demonstrate the efficacy of a low-rank linear dynamical systems model, and develop an active learning procedure which takes advantage of low-rank structure to determine informative photostimulation patterns. We demonstrate our approach on both real and synthetic data, obtaining in some cases as much as a two-fold reduction in the amount of data required to reach a given predictive power. Our active stimulation design method is based on a novel active learning procedure for low-rank regression, which may be of independent interest.
HYDRA-FL: Hybrid Knowledge Distillation for Robust and Accurate Federated Learning
Authors: Momin Ahmad Khan; Yasra Chandio; Fatima M. Anwar
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Data heterogeneity among Federated Learning (FL) users poses a significant challenge, resulting in reduced global model performance. The community has designed various techniques to tackle this issue, among which Knowledge Distillation (KD)-based techniques are common.
    While these techniques effectively improve performance under high heterogeneity, they inadvertently cause higher accuracy degradation under model poisoning attacks (known as \emph{attack amplification}). This paper presents a case study to reveal this critical vulnerability in KD-based FL systems. We show why KD causes this issue through empirical evidence and use it as motivation to design a hybrid distillation technique. We introduce a novel algorithm, Hybrid Knowledge Distillation for Robust and Accurate FL (HYDRA-FL), which reduces the impact of attacks in attack scenarios by offloading some of the KD loss to a shallow layer via an auxiliary classifier. We model HYDRA-FL as a generic framework and adapt it to two KD-based FL algorithms, FedNTD and MOON. Using these two as case studies, we demonstrate that our technique outperforms baselines in attack settings while maintaining comparable performance in benign settings.
Clustering with Non-adaptive Subset Queries
Authors: Hadley Black; Euiwoong Lee; Arya Mazumdar; Barna Saha
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recovering the underlying clustering of a set $U$ of $n$ points by asking pair-wise same-cluster queries has garnered significant interest in the last decade. Given a query $S \subset U$, $|S|=2$, the oracle returns "yes" if the points are in the same cluster and "no" otherwise. We study a natural generalization of this problem to subset queries for $|S|>2$, where the oracle returns the number of clusters intersecting $S$. Our aim is to determine the minimum number of queries needed for exactly recovering an arbitrary $k$-clustering. We focus on non-adaptive schemes, where all the queries are asked in one round, thus allowing for the querying process to be parallelized, which is a highly desirable property. 

For adaptive algorithms with pair-wise queries, the complexity is known to be $\Theta(nk)$, where $k$ is the number of clusters. 
In contrast, non-adaptive pair-wise query algorithms are extremely limited: even for $k=3$, such algorithms require $\Omega(n^2)$ queries, which matches the trivial $O(n^2)$ upper bound attained by querying every pair of points. Allowing for subset queries of unbounded size, $O(n)$ queries is possible with an adaptive scheme.  However, the realm of non-adaptive algorithms remains completely unknown. Is it possible to attain algorithms that are non-adaptive while still making a near-linear number of queries?

In this paper, we give the first non-adaptive algorithms for clustering with subset queries. We provide, (i) a non-adaptive algorithm making $O(n \log^2 n \log k)$ queries which improves to $O(n \log k)$ when the cluster sizes are within any constant factor of each other, (ii) for constant $k$, a non-adaptive algorithm making $O(n \log{\log{n}})$ queries. In addition to non-adaptivity, we take into account other practical considerations, such as enforcing a bound on query size.  For constant $k$, we give an algorithm making $\smash{\widetilde{O}(n^2/s^2)}$ queries on subsets of size at most $s \leq \sqrt{n}$, which is optimal among all non-adaptive algorithms within a $\log n$-factor. For arbitrary $k$, the dependence varies as $\tilde{O}(n^2/s)$.
FIDE: Frequency-Inflated Conditional Diffusion Model for Extreme-Aware Time Series Generation
Authors: Asadullah Hill Galib; Pang-Ning Tan; Lifeng Luo
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Time series generation is a crucial aspect of data analysis, playing a pivotal role in learning the temporal patterns and their underlying dynamics across diverse fields. Conventional time series generation methods often struggle to capture extreme values adequately, diminishing their value in critical applications such as scenario planning and management for healthcare, finance, climate change adaptation, and beyond. In this paper, we introduce a conditional diffusion model called FIDE to address the challenge of preserving the distribution of extreme values in generative modeling for time series. FIDE employs a novel high-frequency inflation strategy in the frequency domain, preventing premature fade-out of the extreme value. It also extends traditional diffusion-based model, enabling the generation of samples conditioned on the block maxima, thereby enhancing the model's capacity to capture extreme events. Additionally, the FIDE framework incorporates the Generalized Extreme Value (GEV) distribution within its generative modeling framework, ensuring fidelity to both block maxima and overall data distribution. Experimental results on real-world and synthetic data showcase the efficacy of FIDE over baseline methods, highlighting its potential in advancing Generative AI for time series analysis, specifically in accurately modeling extreme events.
Robust Mixture Learning when Outliers Overwhelm Small Groups
Authors: Daniil Dmitriev; Rares-Darius Buhai; Stefan Tiegel; Alexander Wolters; Gleb Novikov; Amartya Sanyal; David Steurer; Fanny Yang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We study the problem of estimating the means of well-separated mixtures when an adversary may add arbitrary outliers. While strong guarantees are available when the outlier fraction is significantly smaller than the minimum mixing weight, much less is known when outliers may crowd out low-weight clusters – a setting we refer to as list-decodable mixture learning (LD-ML). In this case, adversarial outliers can simulate additional spurious mixture components. Hence, if all means of the mixture must be recovered up to a small error in the output list, the list size needs to be larger than the number of (true) components. We propose an algorithm that obtains order-optimal error guarantees for each mixture mean with a minimal list-size overhead, significantly improving upon list-decodable mean estimation, the only existing method that is applicable for LD-ML. Although improvements are observed even when the mixture is non-separated, our algorithm achieves particularly strong guarantees when the mixture is separated: it can leverage the mixture structure to partially cluster the samples before carefully iterating a base learner for list-decodable mean estimation at different scales.
Revisiting Score Propagation in Graph Out-of-Distribution Detection
Authors: Longfei Ma; Yiyou Sun; Kaize Ding; Zemin Liu; Fei Wu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The field of graph learning has been substantially advanced by the development of deep learning models, in particular graph neural networks. However, one salient yet largely under-explored challenge is detecting Out-of-Distribution (OOD) nodes on graphs. Prevailing OOD detection techniques developed in other domains like computer vision, do not cater to the interconnected nature of graphs. This work aims to fill this gap by exploring the potential of a simple yet effective method -- OOD score propagation, which propagates OOD scores among neighboring nodes along the graph structure. This post hoc solution can be easily integrated with existing OOD scoring functions, showcasing its excellent flexibility and effectiveness in most scenarios. However, the conditions under which score propagation proves beneficial remain not fully elucidated. Our study meticulously derives these conditions and, inspired by this discovery, introduces an innovative edge augmentation strategy with theoretical guarantee. Empirical evaluations affirm the superiority of our proposed method, outperforming strong OOD detection baselines in various scenarios and settings.
FewViewGS: Gaussian Splatting with Few View Matching and Multi-stage Training
Authors: Ruihong Yin; Vladimir Yugay; Yue Li; Sezer Karaoglu; Theo Gevers
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The field of novel view synthesis from images has seen rapid advancements with the introduction of Neural Radiance Fields (NeRF) and more recently with 3D Gaussian Splatting. Gaussian Splatting became widely adopted due to its efficiency and ability to render novel views accurately. While Gaussian Splatting performs well when a sufficient amount of training images are available, its unstructured explicit representation tends to overfit in scenarios with sparse input images, resulting in poor rendering performance. To address this, we present a 3D Gaussian-based novel view synthesis method using sparse input images that can accurately render the scene from the viewpoints not covered by the training images. We propose a multi-stage training scheme with matching-based consistency constraints imposed on the novel views without relying on pre-trained depth estimation or diffusion models. This is achieved by using the matches of the available training images to supervise the generation of the novel views sampled between the training frames with color, geometry, and semantic losses. In addition, we introduce a locality preserving regularization for 3D Gaussians which removes rendering artifacts by preserving the local color structure of the scene. Evaluation on synthetic and real-world datasets demonstrates competitive or superior performance of our method in few-shot novel view synthesis compared to existing state-of-the-art methods.
Adversarial Representation Engineering: A General Model Editing Framework for Large Language Models
Authors: Yihao Zhang; Zeming Wei; Jun Sun; Meng Sun
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Since the rapid development of Large Language Models (LLMs) has achieved remarkable success, understanding and rectifying their internal complex mechanisms has become an urgent issue. Recent research has attempted to interpret their behaviors through the lens of inner representation. However, developing practical and efficient methods for applying these representations for general and flexible model editing remains challenging. In this work, we explore how to leverage insights from representation engineering to guide the editing of LLMs by deploying a representation discriminator as an editing oracle. We first identify the importance of a robust and reliable discriminator during editing, then propose an \textbf{A}dversarial \textbf{R}epresentation \textbf{E}ngineering (\textbf{ARE}) framework to provide a unified and interpretable approach for conceptual model editing without compromising baseline performance. Experiments on multiple tasks demonstrate the effectiveness of ARE in various model editing scenarios. Our code and data are available at \url{https://github.com/Zhang-Yihao/Adversarial-Representation-Engineering}.
DistrictNet: Decision-aware learning for geographical districting
Authors: Cheikh Ahmed; Alexandre Forel; Axel Parmentier; Thibaut Vidal
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Districting is a complex combinatorial problem that consists in partitioning a geographical area into small districts. In logistics, it is a major strategic decision determining operating costs for several years. Solving districting problems using traditional methods is intractable even for small geographical areas and existing heuristics often provide sub-optimal results. We present a structured learning approach to find high-quality solutions to real-world districting problems in a few minutes. It is based on integrating a combinatorial optimization layer, the capacitated minimum spanning tree problem, into a graph neural network architecture. To train this pipeline in a decision-aware fashion, we show how to construct target solutions embedded in a suitable space and learn from target solutions. Experiments show that our approach outperforms existing methods as it can significantly reduce costs on real-world cities.
Optimal Algorithms for Learning Partitions with Faulty Oracles
Authors: Adela Frances DePavia; Olga Medrano Martín del Campo; Erasmo Tani
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We consider a clustering problem where a learner seeks to partition a finite set by querying a faulty oracle. This models applications where learners crowdsource information from non-expert human workers or conduct noisy experiments to determine group structure. The learner aims to exactly recover a partition by submitting queries of the form ``are $u$ and $v$ in the same group?'' for any pair of elements $u$ and $v$ in the set. Moreover, because the learner only has access to faulty sources of information, they require an error-tolerant algorithm for this task: i.e. they must fully recover the correct partition, even if up to $\ell$ answers are incorrect, for some error-tolerance parameter $\ell$. We study the question: for any given error-tolerance $\ell$, what is the minimum number of queries needed to learn a finite set partition of $n$ elements into $k$ groups? We design algorithms for this task and prove that they achieve optimal query complexity. To analyze our algorithms, we first highlight a  connection between this task and correlation clustering. We then use this connection to build a Rényi-Ulam style analytical framework for this problem, which yields matching lower bounds. Our analysis also reveals an inherent asymmetry between the query complexity necessary to be robust against false negative errors as opposed to false positive errors.
DMPlug: A Plug-in Method for Solving Inverse Problems with Diffusion Models
Authors: Hengkang Wang; Xu Zhang; Taihui Li; Yuxiang Wan; Tiancong Chen; Ju Sun
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Pretrained diffusion models (DMs) have recently been popularly used in solving inverse problems (IPs). The existing methods mostly interleave iterative steps in the reverse diffusion process and iterative steps to bring the iterates closer to satisfying the measurement constraint. However, such interleaving methods struggle to produce final results that look like natural objects of interest (i.e., manifold feasibility) and fit the measurement (i.e., measurement feasibility), especially for nonlinear IPs. Moreover, their capabilities to deal with noisy IPs with unknown types and levels of measurement noise are unknown. In this paper, we advocate viewing the reverse process in DMs as a function and propose a novel plug-in method for solving IPs using pretrained DMs, dubbed DMPlug. DMPlug addresses the issues of manifold feasibility and measurement feasibility in a principled manner, and also shows great potential for being robust to unknown types and levels of noise. Through extensive experiments across various IP tasks, including two linear and three nonlinear IPs, we demonstrate that DMPlug consistently outperforms state-of-the-art methods, often by large margins especially for nonlinear IPs.
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation
Authors: Keqiang Yan; Xiner Li; Hongyi Ling; Kenna Ashen; Carl Edwards; Raymundo Arroyave; Marinka Zitnik; Heng Ji; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior studies used the crystallographic information framework (CIF) file stream, which fails to ensure SE(3) and periodic invariance and may not lead to unique sequence representations for a given crystal structure. Here, we propose a novel method, known as Mat2Seq, to tackle this challenge. Mat2Seq converts 3D crystal structures into 1D sequences and ensures that different mathematical descriptions of the same crystal are represented in a single unique sequence, thereby provably achieving SE(3) and periodic invariance. Experimental results show that, with language models, Mat2Seq achieves promising performance in crystal structure generation as compared with prior methods.
Achieving Domain-Independent Certified Robustness via Knowledge Continuity
Authors: Alan Sun; Chiyu Ma; Kenneth Ge; Soroush Vosoughi
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We present *knowledge continuity*, a novel definition inspired by Lipschitz continuity which aims to certify the robustness of neural networks across input domains (such as continuous and discrete domains in vision and language, respectively). Most existing approaches that seek to certify robustness, especially Lipschitz continuity, lie within the continuous domain with norm and distribution-dependent guarantees. In contrast, our proposed definition yields certification guarantees that depend only on the loss function and the intermediate learned metric spaces of the neural network. These bounds are independent of domain modality, norms, and distribution. We further demonstrate that the expressiveness of a model class is not at odds with its knowledge continuity. This implies that achieving robustness by maximizing knowledge continuity should not theoretically hinder inferential performance. Finally, to complement our theoretical results, we present several applications of knowledge continuity such as regularization, a certification algorithm, and show that knowledge continuity can be used to localize vulnerable components of a neural network.
BoNBoN Alignment for Large Language Models and the Sweetness of Best-of-n Sampling
Authors: Lin Gui; Cristina Garbacea; Victor Veitch
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: This paper concerns the problem of aligning samples from large language models to human preferences using *best-of-$n$* sampling, where we draw $n$ samples, rank them, and return the best one. We consider two fundamental problems. First: what is the relationship between best-of-$n$ and other (RLHF-type) approaches to aligning LLMs? In particular, when should one be preferred to the other? We show that the best-of-$n$ sampling distribution is essentially equivalent to the policy learned by RLHF if we apply a particular monotone transformation to the reward function. Moreover, we show that this transformation yields the best possible trade-off between win-rate against the base model vs KL distance from the base model. Then, best-of-$n$ is a Pareto-optimal win-rate vs KL solution.
The second problem we consider is how to fine-tune a model to mimic the best-of-$n$ sampling distribution, to avoid drawing $n$ samples for each inference. We derive *BonBon Alignment* as a method for achieving this. Experiments show that BonBon alignment yields a model that achieves high win rates while minimally affecting off-target aspects of the generations.
Computation-Aware Gaussian Processes: Model Selection And Linear-Time Inference
Authors: Jonathan Wenger; Kaiwen Wu; Philipp Hennig; Jacob R. Gardner; Geoff Pleiss; John Patrick Cunningham
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory.
While many approximations exist, all incur inevitable approximation error.
Recent work accounts for this error in the form of computational uncertainty, which enables---at the cost of quadratic complexity---an explicit tradeoff between computational efficiency and precision.
Here we extend this development to model selection, which requires significant enhancements to the existing approach, including linear-time scaling in the size of the dataset.
We propose a novel training loss for hyperparameter optimization and demonstrate empirically that the resulting method can outperform SGPR, CGGP and SVGP, state-of-the-art methods for GP model selection, on medium to large-scale datasets.
Our experiments show that model selection for computation-aware GPs trained on 1.8 million data points can be done within a few hours on a single GPU.
As a result of this work, Gaussian processes can be trained on large-scale datasets without significantly compromising their ability to quantify uncertainty---a fundamental prerequisite for optimal decision-making.
When is an Embedding Model  More Promising than Another?
Authors: Maxime DARRIN; Philippe Formont; Ismail Ben Ayed; Jackie CK Cheung; Pablo Piantanida
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Embedders play a central role in machine learning, projecting any object into numerical representations that can, in turn, be leveraged to perform various downstream tasks. The evaluation of embedding models typically depends on domain-specific empirical approaches utilizing downstream tasks, primarily because of the lack of a standardized framework for comparison. However, acquiring adequately large and representative datasets for conducting these assessments is not always viable and can prove to be prohibitively expensive and time-consuming.  In this paper, we present a unified approach to evaluate embedders. First, we establish theoretical foundations for comparing embedding models, drawing upon the concepts of sufficiency and informativeness. We then leverage these concepts to devise a tractable comparison criterion (information sufficiency), leading to a task-agnostic and self-supervised ranking procedure. We demonstrate experimentally that our approach aligns closely with the capability of embedding models to facilitate various downstream tasks in both natural language processing and molecular biology. This effectively offers practitioners a valuable tool for prioritizing model trials.