GenAI4ELab/papercli-papers huggingface dataset:
Topological obstruction to the training of shallow ReLU neural networks
Authors: Marco Nurisso; Pierrick Leroy; Francesco Vaccarino
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Studying the interplay between the geometry of the loss landscape and the optimization trajectories of simple neural networks is a fundamental step for understanding their behavior in more complex settings.
This paper reveals the presence of topological obstruction in the loss landscape of shallow ReLU neural networks trained using gradient flow. We discuss how the homogeneous nature of the ReLU activation function constrains the training trajectories to lie on a product of quadric hypersurfaces whose shape depends on the particular initialization of the network's parameters. 
When the neural network's output is a single scalar, we prove that these quadrics can have multiple connected components, limiting the set of reachable parameters during training. We analytically compute the number of these components and discuss the possibility of mapping one to the other through neuron rescaling and permutation. In this simple setting, we find that the non-connectedness results in a topological obstruction, which, depending on the initialization, can make the global optimum unreachable. We validate this result with numerical experiments.
MotionTTT: 2D Test-Time-Training Motion Estimation for 3D Motion Corrected MRI
Authors: Tobit Klug; Kun Wang; Stefan Ruschke; Reinhard Heckel
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: A major challenge of the long measurement times in magnetic resonance imaging (MRI), an important medical imaging technology, is that patients may move during data acquisition. This leads to severe motion artifacts in the reconstructed images and volumes. In this paper, we propose MotionTTT a deep learning-based test-time-training (TTT) method for accurate motion estimation. The key idea is that a neural network trained for motion-free reconstruction has a small loss if there is no motion, thus optimizing over motion parameters passed through the reconstruction network enables accurate estimation of motion. The estimated motion parameters enable to correct for the motion and to reconstruct accurate motion-corrected images. Our method uses 2D reconstruction networks to estimate rigid motion in 3D, and constitutes the first deep learning based method for 3D rigid motion estimation towards 3D-motion-corrected MRI. We show that our method can provably reconstruct motion parameters for a simple signal and neural network model. We demonstrate the effectiveness of our method for both retrospectively simulated motion and prospectively collected real motion-corrupted data. Code is available at \url{https://github.com/MLI-lab/MRI_MotionTTT}.
Transfer Q-star : Principled Decoding for LLM Alignment
Authors: Souradip Chakraborty; Soumya Suvra Ghosal; Ming Yin; Dinesh Manocha; Mengdi Wang; Amrit Bedi; Furong Huang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Aligning foundation models is essential for their safe and trustworthy deployment. However, traditional fine-tuning methods are computationally intensive and require updating billions of model parameters. A promising alternative, alignment via decoding, adjusts the response distribution directly without model updates to maximize a target reward $r$, thus providing a lightweight and adaptable framework for alignment. However, principled decoding methods rely on oracle access to an optimal Q-function ($Q^*$), which is often unavailable in practice. Hence, prior SoTA methods either approximate this $Q^*$ using $Q^{\pi_{\text{sft}}}$ (derived from the reference $\texttt{SFT}$ model) or rely on short-term rewards, resulting in sub-optimal decoding performance. In this work, we propose $\texttt{Transfer Q}^*$, which implicitly estimates the optimal value function for a target reward $r$ through a baseline model $\rho_{\texttt{BL}}$  aligned with a baseline reward $r_{\texttt{BL}}$ (which can be different from the target reward $r$). Theoretical analyses of $\texttt{Transfer Q}^*$ provide a rigorous characterization of its optimality, deriving an upper bound on the sub-optimality gap and identifying a hyperparameter to control the deviation from the pre-trained reference $\texttt{SFT}$ model based on user needs. Our approach significantly reduces the sub-optimality gap observed in prior SoTA methods and demonstrates superior empirical performance across key metrics such as coherence, diversity, and quality in extensive tests on several synthetic and real datasets.
A teacher-teacher framework for clinical language representation learning
Authors: Feiqing Huang; Shenghan Zhang; Sara Morini Sweet; Tianxi Cai
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In recent years, there has been a proliferation of ready-to-use large language models (LLMs) designed for various applications, both general-purpose and domain-specific. Instead of advocating for the development of a new model or continuous pretraining of an existing one, this paper introduces a pragmatic teacher-teacher framework to facilitate mutual learning between two pre-existing models.
By leveraging two teacher models possessing complementary knowledge, we introduce a LIghtweight kNowledge alignmEnt (LINE) module aimed at harmonizing their knowledge within a unified representation space. This framework is particularly valuable in clinical settings, where stringent regulations and privacy considerations dictate the handling of detailed clinical notes. Our trained LINE module excels in capturing critical information from clinical notes, leveraging highly de-identified data. Validation and downstream tasks further demonstrate the effectiveness of the proposed framework.
Conformalized Credal Set Predictors
Authors: Alireza Javanmardi; David Stutz; Eyke Hüllermeier
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Credal sets are sets of probability distributions that are considered as candidates for an imprecisely known ground-truth distribution. In machine learning, they have recently attracted attention as an appealing formalism for uncertainty representation, in particular, due to their ability to represent both the aleatoric and epistemic uncertainty in a prediction. However, the design of methods for learning credal set predictors remains a challenging problem. In this paper, we make use of conformal prediction for this purpose. More specifically, we propose a method for predicting credal sets in the classification task, given training data labeled by probability distributions. Since our method inherits the coverage guarantees of conformal prediction, our conformal credal sets are guaranteed to be valid with high probability (without any assumptions on model or distribution). We demonstrate the applicability of our method on ambiguous classification tasks for uncertainty quantification.
GraphCroc: Cross-Correlation Autoencoder for Graph Structural Reconstruction
Authors: Shijin Duan; Ruyi Ding; Jiaxing He; Aidong Adam Ding; Yunsi Fei; Xiaolin Xu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Graph-structured data is integral to many applications, prompting the development of various graph representation methods. Graph autoencoders (GAEs), in particular, reconstruct graph structures from node embeddings. Current GAE models primarily utilize self-correlation to represent graph structures and focus on node-level tasks, often overlooking multi-graph scenarios. Our theoretical analysis indicates that self-correlation generally falls short in accurately representing specific graph features such as islands, symmetrical structures, and directional edges, particularly in smaller or multiple graph contexts.To address these limitations, we introduce a cross-correlation mechanism that significantly enhances the GAE representational capabilities. Additionally, we propose the GraphCroc, a new GAE that supports flexible encoder architectures tailored for various downstream tasks and ensures robust structural reconstruction, through a mirrored encoding-decoding process. This model also tackles the challenge of representation bias during optimization by implementing a loss-balancing strategy. Both theoretical analysis and numerical evaluations demonstrate that our methodology significantly outperforms existing self-correlation-based GAEs in graph structure reconstruction.
Robust Gaussian Processes via Relevance Pursuit
Authors: Sebastian Ament; Elizabeth Santorella; David Eriksson; Benjamin Letham; Maximilian Balandat; Eytan Bakshy
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian noise, while many real-world applications are subject to non-Gaussian corruptions. Variants of GPs that are more robust to alternative noise models have been proposed, and entail significant trade-offs between accuracy and robustness, and between computational requirements and theoretical guarantees. In this work, we propose and study a GP model that achieves robustness against sparse outliers by inferring data-point-specific noise levels with a sequential selection procedure maximizing the log marginal likelihood that we refer to as relevance pursuit. We show, surprisingly, that the model can be parameterized such that the associated log marginal likelihood is strongly concave in the data-point-specific noise variances, a property rarely found in either robust regression objectives or GP marginal likelihoods. This in turn implies the weak submodularity of the corresponding subset selection problem, and thereby proves approximation guarantees for the proposed algorithm. We compare the model’s performance relative to other approaches on diverse regression and Bayesian optimization tasks, including the challenging but common setting of sparse corruptions of the labels within or close to the function range.
Private Algorithms for Stochastic Saddle Points and Variational Inequalities: Beyond Euclidean Geometry
Authors: Raef Bassily; Cristóbal A Guzmán; Michael Menart
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In this work, we conduct a systematic study of stochastic saddle point problems (SSP) and stochastic variational inequalities (SVI) under the constraint of $(\epsilon,\delta)$-differential privacy (DP) in both Euclidean and non-Euclidean setups. We first consider Lipschitz convex-concave SSPs in the $\ell_p/\ell_q$ setup, $p,q\in[1,2]$. That is, we consider the case where the primal problem has an $\ell_p$-setup (i.e., the primal parameter is constrained to an $\ell_p$ bounded domain and the loss is $\ell_p$-Lipschitz with respect to the primal parameter) and the dual problem has an $\ell_q$ setup. Here, we obtain a bound of $\tilde{O}\big(\frac{1}{\sqrt{n}} + \frac{\sqrt{d}}{n\epsilon}\big)$ on the strong SP-gap, where $n$ is the number of samples and $d$ is the dimension. This rate is nearly optimal for any $p,q\in[1,2]$. Without additional assumptions, such as smoothness or linearity requirements, prior work under DP has only obtained this rate when $p=q=2$ (i.e., only in the Euclidean setup). Further, existing algorithms have each only been shown to work for specific settings of $p$ and $q$ and under certain assumptions on the loss and the feasible set, whereas we provide a general algorithm for DP SSPs whenever $p,q\in[1,2]$. Our result is obtained via a novel analysis of the recursive regularization algorithm. In particular, we develop new tools for analyzing generalization, which may be of independent interest. Next, we turn our attention towards SVIs with a monotone, bounded and Lipschitz operator and consider $\ell_p$-setups, $p\in[1,2]$. Here, we provide the first analysis which obtains a bound on the strong VI-gap of $\tilde{O}\big(\frac{1}{\sqrt{n}} + \frac{\sqrt{d}}{n\epsilon}\big)$. For $p-1=\Omega(1)$, this rate is near optimal due to existing lower bounds. To obtain this result, we develop a modified version of recursive regularization. Our analysis builds on the techniques we develop for SSPs as well as employing additional novel components which handle difficulties arising from adapting the recursive regularization framework to SVIs.
DeBaRA: Denoising-Based 3D Room Arrangement Generation
Authors: Léopold Maillard; Nicolas Sereyjol-Garros; Tom Durand; Maks Ovsjanikov
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Generating realistic and diverse layouts of furnished indoor 3D scenes unlocks multiple interactive applications impacting a wide range of industries. The inherent complexity of object interactions, the limited amount of available data and the requirement to fulfill spatial constraints all make generative modeling for 3D scene synthesis and arrangement challenging. Current methods address these challenges autoregressively or by using off-the-shelf diffusion objectives by simultaneously predicting all attributes without 3D reasoning considerations. In this paper, we introduce DeBaRA, a score-based model specifically tailored for precise, controllable and flexible arrangement generation in a bounded environment. We argue that the most critical component of a scene synthesis system is to accurately establish the size and position of various objects within a restricted area. Based on this insight, we propose a lightweight conditional score-based model designed with 3D spatial awareness at its core. We demonstrate that by focusing on spatial attributes of objects, a single trained DeBaRA model can be leveraged at test time to perform several downstream applications such as scene synthesis, completion and re-arrangement. Further, we introduce a novel Self Score Evaluation procedure so it can be optimally employed alongside external LLM models. We evaluate our approach through extensive experiments and demonstrate significant improvement upon state-of-the-art approaches in a range of scenarios.
Keeping LLMs Aligned After Fine-tuning: The Crucial Role of Prompt Templates
Authors: Kaifeng Lyu; Haoyu Zhao; Xinran Gu; Dingli Yu; Anirudh Goyal; Sanjeev Arora
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Public LLMs such as the Llama 2-Chat underwent alignment training and were considered safe. Recently Qi et al. (2024) reported that even benign fine-tuning on seemingly safe datasets can give rise to unsafe behaviors in the models. The current paper is about methods and best practices to mitigate such loss of alignment. We focus on the setting where a public model is fine-tuned before serving users for specific usage, where the model should improve on the downstream task while maintaining alignment. Through extensive experiments on several chat models (Meta's Llama 2-Chat, Mistral AI's Mistral 7B Instruct v0.2, and OpenAI's GPT-3.5 Turbo), this paper uncovers that the prompt templates used during fine-tuning and inference play a crucial role in preserving safety alignment, and proposes the “Pure Tuning, Safe Testing” (PTST) strategy --- fine-tune models without a safety prompt, but include it at test time. This seemingly counterintuitive strategy incorporates an intended distribution shift to encourage alignment preservation. Fine-tuning experiments on GSM8K, ChatDoctor, and OpenOrca show that PTST significantly reduces the rise of unsafe behaviors.
Linear Causal Bandits: Unknown Graph and Soft Interventions
Authors: Zirui Yan; Ali Tajer
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Designing causal bandit algorithms depends on two central categories of assumptions: (i) the extent of information about the underlying causal graphs and (ii) the extent of information about interventional statistical models. There have been extensive recent advances in dispensing with assumptions on either category. These include assuming known graphs but unknown interventional distributions, and the converse setting of assuming unknown graphs but access to restrictive hard/$\operatorname{do}$ interventions, which removes the stochasticity and ancestral dependencies. Nevertheless, the problem in its general form, i.e., _unknown_ graph and _unknown_ stochastic intervention models, remains open. This paper addresses this problem and establishes that in a graph with $N$ nodes, maximum in-degree $d$ and maximum causal path length $L$, after $T$ interaction rounds the regret upper bound scales as $\tilde{\mathcal{O}}((cd)^{L-\frac{1}{2}}\sqrt{T} + d + RN)$ where $c>1$ is a constant and  $R$ is a measure of intervention power. A universal minimax lower bound is also established, which scales as $\Omega(d^{L-\frac{3}{2}}\sqrt{T})$. Importantly, the graph size $N$ has a diminishing effect on the regret as $T$ grows. These bounds have matching behavior in $T$, exponential dependence on $L$, and polynomial dependence on $d$ (with the gap $d\ $). On the algorithmic aspect, the paper presents a novel way of designing a computationally efficient CB algorithm, addressing a challenge that the existing CB algorithms using soft interventions face.
Boosting Vision-Language Models with Transduction
Authors: Maxime Zanella; Benoît Gérin; Ismail Ben Ayed
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Transduction is a powerful paradigm that leverages the structure of unlabeled data to boost predictive accuracy. We present TransCLIP, a novel and computationally efficient transductive approach designed for Vision-Language Models (VLMs). TransCLIP is applicable as a plug-and-play module on top of popular inductive zero- and few-shot models, consistently improving their performances. Our new objective function can be viewed as a regularized maximum-likelihood estimation, constrained by a KL divergence penalty that integrates the text-encoder knowledge and guides the transductive learning process. We further derive an iterative Block Majorize-Minimize (BMM) procedure for optimizing our objective, with guaranteed convergence and decoupled sample-assignment updates, yielding computationally efficient transduction for large-scale datasets. We report comprehensive evaluations, comparisons, and ablation studies that demonstrate: (i) Transduction can greatly enhance the generalization capabilities of inductive pretrained zero- and few-shot VLMs; (ii) TransCLIP substantially outperforms standard transductive few-shot learning methods relying solely on vision features, notably due to the KL-based language constraint.
Subwords as Skills: Tokenization for Sparse-Reward Reinforcement Learning
Authors: David Yunis; Justin Jung; Falcon Z Dai; Matthew Walter
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Exploration in sparse-reward reinforcement learning (RL) is difficult due to the need for long, coordinated sequences of actions in order to achieve any reward. Skill learning, from demonstrations or interaction, is a promising approach to address this, but skill extraction and inference are expensive for current methods. We present a novel method to extract skills from demonstrations for use in sparse-reward RL, inspired by the popular Byte-Pair Encoding (BPE) algorithm in natural language processing. With these skills, we show strong performance in a variety of tasks, 1000$\times$ acceleration for skill-extraction and 100$\times$ acceleration for policy inference. Given the simplicity of our method, skills extracted from 1\% of the demonstrations in one task can be transferred to a new loosely related task. We also note that such a method yields a finite set of interpretable behaviors. Our code is available at https://github.com/dyunis/subwords_as_skills.
Sample Complexity of Algorithm Selection Using Neural Networks and Its Applications to Branch-and-Cut
Authors: Hongyu Cheng; Sammy Khalife; Barbara Fiedorowicz; Amitabh Basu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Data-driven algorithm design is a paradigm that uses statistical and machine learning techniques to select from a class of algorithms for a computational problem an algorithm that has the best expected performance with respect to some (unknown) distribution on the instances of the problem. We build upon recent work in this line of research by considering the setup where, instead of selecting a single algorithm that has the best performance, we allow the possibility of selecting an algorithm based on the instance to be solved, using neural networks. In particular, given a representative sample of instances, we learn a neural network that maps an instance of the problem to the most appropriate algorithm *for that instance*. We formalize this idea and derive rigorous sample complexity bounds for this learning problem, in the spirit of recent work in data-driven algorithm design. We then apply this approach to the problem of making good decisions in the branch-and-cut framework for mixed-integer optimization (e.g., which cut to add?). In other words, the neural network will take as input a mixed-integer optimization instance and output a decision that will result in a small branch-and-cut tree for that instance. Our computational results provide evidence that our particular way of using neural networks for cut selection can make a significant impact in reducing branch-and-cut tree sizes, compared to previous data-driven approaches.
Linear Transformers are Versatile In-Context Learners
Authors: Max Vladymyrov; Johannes von Oswald; Mark Sandler; Rong Ge
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recent research has demonstrated that transformers, particularly linear attention models, implicitly execute gradient-descent-like algorithms on data provided in-context during their forward inference step. However, their capability in handling more complex problems remains unexplored. In this paper, we prove that each layer of a linear transformer maintains a weight vector for an implicit linear regression problem and can be interpreted as performing a variant of preconditioned gradient descent. We also investigate the use of linear transformers in a challenging scenario where the training data is corrupted with different levels of noise. Remarkably, we demonstrate that for this problem linear transformers discover an intricate and highly effective optimization algorithm, surpassing or matching in performance many reasonable baselines. We analyze this algorithm and show that it is a novel approach incorporating momentum and adaptive rescaling based on noise levels. Our findings show that even linear transformers possess the surprising ability to discover sophisticated optimization strategies.
OPERA: Automatic Offline Policy Evaluation with Re-weighted Aggregates of Multiple Estimators
Authors: Allen Nie; Yash Chandak; Christina J. Yuan; Anirudhan Badrinath; Yannis Flet-Berliac; Emma Brunskill
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

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.