GenAI4ELab/papercli-papers huggingface dataset:
Slot State Space Models
Authors: Jindong Jiang; Fei Deng; Gautam Singh; Minseung Lee; Sungjin Ahn
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recent State Space Models (SSMs) such as S4, S5, and Mamba have shown remarkable computational benefits in long-range temporal dependency modeling. However, in many sequence modeling problems, the underlying process is inherently modular and it is of interest to have inductive biases that mimic this modular structure. In this paper, we introduce SlotSSMs, a novel framework for incorporating independent mechanisms into SSMs to preserve or encourage separation of information. Unlike conventional SSMs that maintain a monolithic state vector, SlotSSMs maintains the state as a collection of multiple vectors called slots. Crucially, the state transitions are performed independently per slot with sparse interactions across slots implemented via the bottleneck of self-attention. In experiments, we evaluate our model in object-centric learning, 3D visual reasoning, and long-context video understanding tasks, which involve modeling multiple objects and their long-range temporal dependencies. We find that our proposed design offers substantial performance gains over existing sequence modeling methods. Project page is available at \url{https://slotssms.github.io/}
Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction
Authors: Manuel Brenner; Christoph Jürgen Hemmer; Zahra Monfared; Daniel Durstewitz
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Dynamical systems theory (DST) is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS combined by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and Rössler systems, AL-RNNs derive, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.
Generalization of Hamiltonian algorithms
Authors: Andreas Maurer
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: A method to prove generalization results for a class of stochastic learning algorithms is presented. It applies whenever the algorithm generates a distribution, which is absolutely continuous distribution relative to some a-priori measure, and the logarithm of its density is exponentially concentrated about its mean. Applications include bounds for the Gibbs algorithm and randomizations of stable deterministic algorithms, combinations thereof and PAC-Bayesian bounds with data-dependent priors.
Unravelling in Collaborative Learning
Authors: Aymeric Capitaine; Etienne Boursier; Antoine Scheid; Eric Moulines; Michael Jordan; El-Mahdi El-Mhamdi; Alain Oliviero Durmus
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Collaborative learning offers a promising avenue for leveraging decentralized data. However, collaboration in groups of strategic learners is not a given. In this work, we consider strategic agents who wish to train a model together but have sampling distributions of different quality. The collaboration is organized by a benevolent aggregator who gathers samples so as to maximize total welfare, but is unaware of data quality. This setting allows us to shed light on the deleterious effect of adverse selection in collaborative learning. More precisely, we demonstrate that when data quality indices are private, the coalition may undergo a phenomenon known as unravelling, wherein it shrinks up to the point that it becomes empty or solely comprised of the worst agent. We show how this issue can be addressed without making use of external transfers, by proposing a novel method inspired by probabilistic verification. This approach makes the grand coalition a Nash equilibrium with high probability  despite information asymmetry, thereby breaking unravelling.
Practical Shuffle Coding
Authors: Julius Kunze; Daniel Severo; Jan-Willem van de Meent; James Townsend
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We present a general method for lossless compression of unordered data structures, including multisets and graphs. It is a variant of shuffle coding that is many orders of magnitude faster than the original and enables 'one-shot' compression of single unordered objects. Our method achieves state-of-the-art compression rates on various large-scale network graphs at speeds of megabytes per second, efficiently handling even a multi-gigabyte plain graph with one billion edges. We release an implementation that can be easily adapted to different data types and statistical models.
Recurrent Complex-Weighted Autoencoders for Unsupervised Object Discovery
Authors: Anand Gopalakrishnan; Aleksandar Stanić; Jürgen Schmidhuber; Michael Curtis Mozer
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Current state-of-the-art synchrony-based models encode object bindings with complex-valued activations and compute with real-valued weights in feedforward architectures. We argue for the computational advantages of a recurrent architecture with complex-valued weights. We propose a fully convolutional autoencoder, SynCx, that performs iterative constraint satisfaction: at each iteration, a hidden layer bottleneck encodes statistically regular configurations of features in particular phase relationships; over iterations, local constraints propagate and the model converges to a globally consistent configuration of phase assignments. Binding is achieved simply by the matrix-vector product operation between complex-valued weights and activations, without the need for additional mechanisms that have been incorporated into current synchrony-based models. SynCx outperforms or is strongly competitive with current models for unsupervised object discovery. SynCx also avoids certain systematic grouping errors of current models, such as the inability to separate similarly colored objects without additional supervision.
Theoretical guarantees in KL for Diffusion Flow Matching
Authors: Marta Gentiloni Silveri; Alain Oliviero Durmus; Giovanni Conforti
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Flow Matching (FM) (also referred to as stochastic interpolants or rectified flows)  stands out as a class of generative models that aims to bridge in finite time the target distribution $\nu^\star$ with an auxiliary distribution $\mu$ leveraging a fixed coupling $\pi$ and a bridge which can either be deterministic or stochastic. These two ingredients define a path measure which can then be approximated by learning the drift of its Markovian projection. The main contribution of this paper is to provide relatively mild assumption on $\nu^\star$, $\mu$ and $\pi$ to obtain non-asymptotics guarantees for Diffusion Flow Matching (DFM) models using as bridge the conditional distribution associated with the Brownian motion. More precisely, it establishes bounds on the Kullback-Leibler divergence between the target distribution and the one generated by such DFM models under moment conditions on the score of $\nu^\star$, $\mu$ and $\pi$, and a standard $\mathrm{L}^2$-drift-approximation error assumption.
NeoRL: Efficient Exploration for Nonepisodic RL
Authors: Bhavya Sukhija; Lenart Treven; Florian Dorfler; Stelian Coros; Andreas Krause
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: We study the problem of nonepisodic reinforcement learning (RL) for nonlinear dynamical systems, where the system dynamics are unknown and the RL agent has to learn from a single trajectory, i.e., without resets. We propose **N**on**e**pisodic **O**ptistmic **RL** (NeoRL), an approach based on the principle of optimism in the face of uncertainty. NeoRL uses well-calibrated probabilistic models and plans optimistically w.r.t. the epistemic uncertainty about the unknown dynamics. Under continuity and bounded energy assumptions on the system, we
provide a first-of-its-kind regret bound of  $\mathcal{O}(\beta_T \sqrt{T \Gamma_T})$ for general nonlinear systems with Gaussian process dynamics. We compare NeoRL to other baselines on several deep RL environments and empirically demonstrate that NeoRL achieves the optimal average cost while incurring the least regret.
Newton Losses: Using Curvature Information for Learning with Differentiable Algorithms
Authors: Felix Petersen; Christian Borgelt; Tobias Sutter; Hilde Kuehne; Oliver Deussen; Stefano Ermon
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: When training neural networks with custom objectives, such as ranking losses and shortest-path losses, a common problem is that they are, per se, non-differentiable. A popular approach is to continuously relax the objectives to provide gradients, enabling learning. However, such differentiable relaxations are often non-convex and can exhibit vanishing and exploding gradients, making them (already in isolation) hard to optimize. Here, the loss function poses the bottleneck when training a deep neural network. We present Newton Losses, a method for improving the performance of existing hard to optimize losses by exploiting their second-order information via their empirical Fisher and Hessian matrices. Instead of training the neural network with second-order techniques, we only utilize the loss function's second-order information to replace it by a Newton Loss, while training the network with gradient descent.  This makes our method computationally efficient. We apply Newton Losses to eight differentiable algorithms for sorting and shortest-paths, achieving significant improvements for less-optimized differentiable algorithms, and consistent improvements, even for well-optimized differentiable algorithms.
LLM-based Skill Diffusion for Zero-shot Policy Adaptation
Authors: Woo Kyung Kim; Youngseok Lee; Jooyoung Kim; Honguk Woo
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recent advances in data-driven imitation learning and offline reinforcement learning have highlighted the use of expert data for skill acquisition and the development of hierarchical policies based on these skills. However, these approaches have not significantly advanced in adapting these skills to unseen contexts, which may involve changing environmental conditions or different user requirements. In this paper, we present a novel LLM-based policy adaptation framework LDuS which leverages an LLM to guide the generation process of a skill diffusion model upon contexts specified in language, facilitating zero-shot skill-based policy adaptation to different contexts. To implement the skill diffusion model, we adapt the loss-guided diffusion with a sequential in-painting technique, where target trajectories are conditioned by masking them with past state-action sequences, thereby enabling the robust and controlled generation of skill trajectories in test-time. To have a loss function for a given context, we employ the LLM-based code generation with iterative refinement, by which the code and controlled trajectory are validated to align with the context in a closed-loop manner. Through experiments, we demonstrate the zero-shot adaptability of LDuS to various context types including different specification levels, multi-modality, and varied temporal conditions for several robotic manipulation tasks, outperforming other language-conditioned imitation and planning methods.
Probabilistic Federated Prompt-Tuning with Non-IID and Imbalanced Data
Authors: Pei-Yau Weng; Minh Hoang; Lam M. Nguyen; My T. Thai; Tsui-Wei Weng; Trong Nghia Hoang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Fine-tuning pre-trained models is a popular approach in machine learning for solving complex tasks with moderate data. However, fine-tuning the entire pre-trained model is ineffective in federated data scenarios where local data distributions are diversely skewed. To address this, we explore integrating federated learning with a more effective prompt-tuning method, optimizing for a small set of input prefixes to reprogram the pre-trained model's behavior. Our approach transforms federated learning into a distributed set modeling task, aggregating diverse sets of prompts to globally fine-tune the pre-trained model. We benchmark various baselines based on direct adaptations of existing federated model aggregation techniques and introduce a new probabilistic prompt aggregation method that substantially outperforms these baselines. Our reported results on a variety of computer vision datasets confirm that the proposed method is most effective to combat extreme data heterogeneity in federated learning.
Understanding the Role of Equivariance in Self-supervised Learning
Authors: Yifei Wang; Kaiwen Hu; Sharut Gupta; Ziyu Ye; Yisen Wang; Stefanie Jegelka
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Contrastive learning has been a leading paradigm for self-supervised learning, but it is widely observed that it comes at the price of sacrificing useful features (\eg colors) by being invariant to data augmentations. Given this limitation, there has been a surge of interest in equivariant self-supervised learning (E-SSL) that learns features to be augmentation-aware. However, even for the simplest rotation prediction method, there is a lack of rigorous understanding of why, when, and how E-SSL learns useful features for downstream tasks. To bridge this gap between practice and theory, we establish an information-theoretic perspective to understand the generalization ability of E-SSL. In particular, we identify a critical explaining-away effect in E-SSL that creates a synergy between the equivariant and classification tasks. This synergy effect encourages models to extract class-relevant features to improve its equivariant prediction, which, in turn, benefits downstream tasks requiring semantic features. Based on this perspective, we theoretically analyze the influence of data transformations and reveal several principles for practical designs of E-SSL. Our theory not only aligns well with existing E-SSL methods but also sheds light on new directions by exploring the benefits of model equivariance. We believe that a theoretically grounded understanding on the role of equivariance would inspire more principled and advanced designs in this field. Code is available at 
 https://github.com/kaotty/Understanding-ESSL.
How do Large Language Models Handle Multilingualism?
Authors: Yiran Zhao; Wenxuan Zhang; Guizhen Chen; Kenji Kawaguchi; Lidong Bing
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Large language models (LLMs) have demonstrated impressive capabilities across diverse languages. This study explores how LLMs handle multilingualism. Based on observed language ratio shifts among layers and the relationships between network structures and certain capabilities, we hypothesize the LLM's multilingual workflow ($\texttt{MWork}$): LLMs initially understand the query, converting multilingual inputs into English for task-solving. In the intermediate layers, they employ English for thinking and incorporate multilingual knowledge with self-attention and feed-forward structures, respectively. In the final layers, LLMs generate responses aligned with the original language of the query. 
To verify $\texttt{MWork}$, we introduce Parallel Language-specific Neuron Detection ($\texttt{PLND}$) to identify activated neurons for inputs in different languages without any labeled data. Using $\texttt{PLND}$, we validate $\texttt{MWork}$ through extensive experiments involving the deactivation of language-specific neurons across various layers and structures. 
Moreover, $\texttt{MWork}$ allows fine-tuning of language-specific neurons with a small dataset, enhancing multilingual abilities in a specific language without compromising others. This approach results in an average improvement of $3.6\%$ for high-resource languages and $2.3\%$ for low-resource languages across all tasks with just $400$ documents.
Reinforcement Learning with LTL and $\omega$-Regular Objectives via Optimality-Preserving Translation to Average Rewards
Authors: Xuan-Bach Le; Dominik Wagner; Leon Witzman; Alexander Rabinovich; Luke Ong
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Linear temporal logic (LTL) and, more generally, $\omega$-regular objectives are alternatives to the traditional discount sum and average reward objectives in reinforcement learning (RL), offering the advantage of greater comprehensibility and hence explainability. In this work, we study the relationship between these objectives. Our main result is that each RL problem for $\omega$-regular objectives can be reduced to a limit-average reward problem in an optimality-preserving fashion, via (finite-memory) reward machines. Furthermore, we demonstrate the efficacy of this approach by showing that optimal policies for limit-average problems can be found asymptotically by solving a sequence of discount-sum problems approximately. Consequently, we resolve an open problem: optimal policies for LTL and $\omega$-regular objectives can be learned asymptotically.
SWT-Bench: Testing and Validating Real-World Bug-Fixes with Code Agents
Authors: Niels Mündler; Mark Niklas Mueller; Jingxuan He; Martin Vechev
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Rigorous software testing is crucial for developing and maintaining high-quality code, making automated test generation a promising avenue for both improving software quality and boosting the effectiveness of code generation methods. However, while code generation with Large Language Models (LLMs) is an extraordinarily active research area, test generation remains relatively unexplored. We address this gap and investigate the capability of LLM-based Code Agents to formalize user issues into test cases. To this end, we propose a novel benchmark based on popular GitHub repositories, containing real-world issues, ground-truth bug-fixes, and golden tests.  We find that LLMs generally perform surprisingly well at generating relevant test cases, with Code Agents designed for code repair exceeding the performance of systems designed specifically for test generation. Further, as test generation is a similar but more structured task than code generation, it allows for a more fine-grained analysis using issue reproduction rate and coverage changes, providing a dual metric for analyzing systems designed for code repair. Finally, we find that generated tests are an effective filter for proposed code fixes, doubling the precision of SWE-Agent. We release all data and code at https://github.com/logic-star-ai/SWT-Bench.
High-Resolution Image Harmonization with Adaptive-Interval Color Transformation
Authors: Quanling Meng; Qinglin Liu; Zonglin Li; Xiangyuan Lan; Shengping Zhang; Liqiang Nie
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Existing high-resolution image harmonization methods typically rely on global color adjustments or the upsampling of parameter maps. However, these methods ignore local variations, leading to inharmonious appearances. To address this problem, we propose an Adaptive-Interval Color Transformation method (AICT), which predicts pixel-wise color transformations and adaptively adjusts the sampling interval to model local non-linearities of the color transformation at high resolution. Specifically, a parameter network is first designed to generate multiple position-dependent 3-dimensional lookup tables (3D LUTs), which use the color and position of each pixel to perform pixel-wise color transformations. Then, to enhance local variations adaptively, we separate a color transform into a cascade of sub-transformations using two 3D LUTs to achieve the non-uniform sampling intervals of the color transform. Finally, a global consistent weight learning method is proposed to predict an image-level weight for each color transform, utilizing global information to enhance the overall harmony. Extensive experiments demonstrate that our AICT achieves state-of-the-art performance with a lightweight architecture. The code is available at https://github.com/aipixel/AICT.
Taming "data-hungry" reinforcement learning? Stability in continuous state-action spaces
Authors: Yaqi Duan; Martin J Wainwright
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We introduce a novel framework for analyzing reinforcement learning (RL) in continuous state-action spaces, and use it to prove fast rates of convergence in both off-line and on-line settings. Our analysis highlights two key stability properties, relating to how changes in value functions and/or policies affect the Bellman operator and occupation measures. We argue that these properties are satisfied in many continuous state-action Markov decision processes. Our analysis also offers fresh perspectives on the roles of pessimism and optimism in off-line and on-line RL.
Exploring Molecular Pretraining Model at Scale
Authors: Xiaohong Ji; Zhen Wang; Zhifeng Gao; Hang Zheng; Linfeng Zhang; Guolin Ke; Weinan E
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In recent years, pretraining models have made significant advancements in the fields of natural language processing (NLP), computer vision (CV), and life sciences. The significant advancements in NLP and CV are predominantly driven by the expansion of model parameters and data size, a phenomenon now recognized as the scaling laws. However, research exploring scaling law in molecular pretraining model remains unexplored. In this work, we present an innovative molecular pretraining model that leverages a two-track transformer to effectively integrate features at the atomic level, graph level, and geometry structure level. Along with this, we systematically investigate the scaling law within molecular pretraining models, examining the power-law correlations between validation loss and model size, dataset size, and computational resources. Consequently, we successfully scale the model to 1.1 billion parameters through pretraining on 800 million conformations, making it the largest molecular pretraining model to date. Extensive experiments show the consistent improvement on the downstream tasks as the model size grows up. The model with 1.1 billion parameters also outperform over existing methods, achieving an average 27\% improvement on the QM9 and 14\% on COMPAS-1D dataset.