GenAI4ELab/papercli-papers huggingface dataset:
The Representation Landscape of Few-Shot Learning and Fine-Tuning in Large Language Models
Authors: Diego Doimo; Alessandro Pietro Serra; Alessio ansuini; Alberto Cazzaniga
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In-context learning (ICL) and supervised fine-tuning (SFT) are two common strategies for improving the performance of modern large language models (LLMs) on specific tasks. Despite their different natures, these strategies often lead to comparable performance gains. 
However, little is known about whether they induce similar representations inside LLMs.  We approach this problem by analyzing the probability landscape of their hidden representations in the two cases. More specifically, we compare how LLMs solve the same question-answering task, finding that ICL and SFT create very different internal structures, in both cases undergoing a sharp transition in the middle of the network. In the first half of the network, ICL shapes interpretable representations hierarchically organized according to their semantic content. In contrast, the probability landscape obtained with SFT is fuzzier and semantically mixed. In the second half of the model, the fine-tuned representations develop probability modes that better encode the identity of answers, while less-defined peaks characterize the landscape of ICL representations. Our approach reveals the diverse computational strategies developed inside LLMs to solve the same task across different conditions, allowing us to make a step towards designing optimal methods to extract information from language models.
Neural Characteristic Activation Analysis and Geometric Parameterization for ReLU Networks
Authors: Wenlin Chen; Hong Ge
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's advantages of optimization stability, convergence speed and generalization performance.
When to Sense and Control? A Time-adaptive Approach for Continuous-Time RL
Authors: Lenart Treven; Bhavya Sukhija; Yarden As; Florian Dorfler; Andreas Krause
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Reinforcement learning (RL) excels in optimizing policies for discrete-time Markov decision processes (MDP). However, various systems are inherently continuous in time, making discrete-time MDPs an inexact modeling choice. 
In many applications, such as greenhouse control or medical treatments, each interaction (measurement or switching of action) involves manual intervention and thus is inherently costly. Therefore, 
we generally prefer a time-adaptive approach with fewer interactions with the system.
In this work, we formalize an RL framework, 
**T**ime-**a**daptive **Co**ntrol \& **S**ensing (**TaCoS**), that tackles this challenge by optimizing over policies that besides control predict the duration of its application. Our formulation results in an extended MDP that any standard RL algorithm can solve.
We demonstrate that state-of-the-art RL algorithms trained on TaCoS drastically reduce the interaction amount over their discrete-time counterpart while retaining the same or improved performance, and exhibiting robustness over discretization frequency.
Finally, we propose OTaCoS, an efficient model-based algorithm for our setting. We show that OTaCoS enjoys sublinear regret for systems with sufficiently smooth dynamics and empirically results in further sample-efficiency gains.
Adaptive $Q$-Aid for Conditional Supervised Learning in Offline Reinforcement Learning
Authors: Jeonghye Kim; Suyoung Lee; Woojun Kim; Youngchul Sung
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Offline reinforcement learning (RL) has progressed with return-conditioned supervised learning (RCSL), but its lack of stitching ability remains a limitation. We introduce $Q$-Aided Conditional Supervised Learning (QCS), which effectively combines the stability of RCSL with the stitching capability of $Q$-functions. By analyzing $Q$-function over-generalization, which impairs stable stitching, QCS adaptively integrates $Q$-aid into RCSL's loss function based on trajectory return. Empirical results show that QCS significantly outperforms RCSL and value-based methods, consistently achieving or exceeding the highest trajectory returns across diverse offline RL benchmarks. QCS represents a breakthrough in offline RL, pushing the limits of what can be achieved and fostering further innovations.
Reimagining Mutual Information for Enhanced Defense against Data Leakage in Collaborative Inference
Authors: Lin Duan; Jingwei Sun; Jinyuan Jia; Yiran Chen; Maria Gorlatova
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Edge-cloud collaborative inference empowers resource-limited IoT devices to support deep learning applications without disclosing their raw data to the cloud server, thus protecting user's data. Nevertheless, prior research has shown that collaborative inference still results in the exposure of input and predictions from edge devices. To defend against such data leakage in collaborative inference, we introduce InfoScissors, a defense strategy designed to reduce the mutual information between a model's intermediate outcomes and the device's input and predictions. We evaluate our defense on several datasets in the context of diverse attacks. Besides the empirical comparison, we provide a theoretical analysis of the inadequacies of recent defense strategies that also utilize mutual information, particularly focusing on those based on the Variational Information Bottleneck (VIB) approach. We illustrate the superiority of our method and offer a theoretical analysis of it.
Off-policy estimation with adaptively collected data: the power of online learning
Authors: Jeonghwan Lee; Cong Ma
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We consider estimation of a linear functional of the treatment effect from adaptively collected data. This problem finds a variety of applications including off-policy evaluation in contextual bandits, and estimation of the average treatment effect in causal inference. While a certain class of augmented inverse propensity weighting (AIPW) estimators enjoys desirable asymptotic properties including the semi-parametric efficiency, much less is known about their non-asymptotic theory with adaptively collected data. To fill in the gap, we first present generic upper bounds on the mean-squared error of the class of AIPW estimators that crucially depends on a sequentially weighted error between the treatment effect and its estimates. Motivated by this, we propose a general reduction scheme that allows one to produce a sequence of estimates for the treatment effect via online learning to minimize the sequentially weighted estimation error. To illustrate this, we provide three concrete instantiations in (1) the tabular case; (2) the case of linear function approximation; and (3) the case of general function approximation for the outcome model. We then provide a local minimax lower bound to show the instance-dependent optimality of the AIPW estimator using no-regret online learning algorithms.
Fast samplers for Inverse Problems in Iterative Refinement models
Authors: Kushagra Pandey; Ruihan Yang; Stephan Mandt
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Constructing fast samplers for unconditional diffusion and flow-matching models has received much attention recently; however, existing methods for solving *inverse problems*, such as super-resolution, inpainting, or deblurring, still require hundreds to thousands of iterative steps to obtain high-quality results. We propose a plug-and-play framework for constructing efficient samplers for inverse problems, requiring only *pre-trained* diffusion or flow-matching models. We present *Conditional Conjugate Integrators*, which leverage the specific form of the inverse problem to project the respective conditional diffusion/flow dynamics into a more amenable space for sampling. Our method complements popular posterior approximation methods for solving inverse problems using diffusion/flow models. We evaluate the proposed method's performance on various linear image restoration tasks across multiple datasets, employing diffusion and flow-matching models. Notably, on challenging inverse problems like 4x super-resolution on the ImageNet dataset, our method can generate high-quality samples in as few as *5* conditional sampling steps and outperforms competing baselines requiring 20-1000 steps. Our code will be publicly available at https://github.com/mandt-lab/c-pigdm.
InterDreamer: Zero-Shot Text to 3D Dynamic Human-Object Interaction
Authors: Sirui Xu; Ziyin Wang; Yu-Xiong Wang; Liangyan Gui
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Text-conditioned human motion generation has experienced significant advancements with diffusion models trained on extensive motion capture data and corresponding textual annotations. However, extending such success to 3D dynamic human-object interaction (HOI) generation faces notable challenges, primarily due to the lack of large-scale interaction data and comprehensive descriptions that align with these interactions. This paper takes the initiative and showcases the potential of generating human-object interactions without direct training on text-interaction pair data. Our key insight in achieving this is that interaction semantics and dynamics can be decoupled. Being unable to learn interaction semantics through supervised training, we instead leverage pre-trained large models, synergizing knowledge from a large language model and a text-to-motion model. While such knowledge offers high-level control over interaction semantics, it cannot grasp the intricacies of low-level interaction dynamics. To overcome this issue, we introduce a world model designed to comprehend simple physics, modeling how human actions influence object motion. By integrating these components, our novel framework, InterDreamer, is able to generate text-aligned 3D HOI sequences without relying on paired text-interaction data. We apply InterDreamer to the BEHAVE, OMOMO, and CHAIRS datasets, and our comprehensive experimental analysis demonstrates its capability to generate realistic and coherent interaction sequences that seamlessly align with the text directives.
Toxicity Detection for Free
Authors: Zhanhao Hu; Julien Piet; Geng Zhao; Jiantao Jiao; David Wagner
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Current LLMs are generally aligned to follow safety requirements and tend to refuse toxic prompts. However, LLMs can fail to refuse toxic prompts or be overcautious and refuse benign examples. In addition, state-of-the-art toxicity detectors have low TPRs at low FPR, incurring high costs in real-world applications where toxic examples are rare. In this paper, we introduce Moderation Using LLM Introspection (MULI), which detects toxic prompts using the information extracted directly from LLMs themselves. We found we can distinguish between benign and toxic prompts from the distribution of the first response token's logits. Using this idea, we build a robust detector of toxic prompts using a sparse logistic regression model on the first response token logits. Our scheme outperforms SOTA detectors under multiple metrics.
Towards Calibrated Robust Fine-Tuning of Vision-Language Models
Authors: Changdae Oh; Hyesu Lim; Mijoo Kim; Dongyoon Han; Sangdoo Yun; Jaegul Choo; Alexander G Hauptmann; Zhi-Qi Cheng; Kyungwoo Song
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Improving out-of-distribution (OOD) generalization during in-distribution (ID) adaptation is a primary goal of robust fine-tuning of zero-shot models beyond naive fine-tuning. However, despite decent OOD generalization performance from recent robust fine-tuning methods, confidence calibration for reliable model output has not been fully addressed. This work proposes a robust fine-tuning method that improves both OOD accuracy and confidence calibration simultaneously in vision language models. Firstly, we show that both OOD classification and OOD calibration errors have a shared upper bound consisting of two terms of ID data: 1) ID calibration error and 2) the smallest singular value of the ID input covariance matrix. Based on this insight, we design a novel framework that conducts fine-tuning with a constrained multimodal contrastive loss enforcing a larger smallest singular value, which is further guided by the self-distillation of a moving-averaged model to achieve calibrated prediction as well. Starting from empirical evidence supporting our theoretical statements, we provide extensive experimental results on ImageNet distribution shift benchmarks that demonstrate the effectiveness of our theorem and its practical implementation.
Conditioning non-linear and infinite-dimensional diffusion processes
Authors: Elizabeth Louise Baker; Gefan Yang; Michael Lind Severinsen; Christy Anna Hipsley; Stefan Sommer
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Generative diffusion models and many stochastic models in science and engineering naturally live in infinite dimensions before discretisation. To incorporate observed data for statistical and learning tasks, one needs to condition on observations. While recent work has treated conditioning linear processes in infinite dimensions, conditioning non-linear processes in infinite dimensions has not been explored. This paper conditions function valued stochastic processes without prior discretisation. To do so, we use an infinite-dimensional version of Girsanov's theorem to condition a function-valued stochastic process, leading to a stochastic differential equation (SDE) for the conditioned process involving the score. We apply this technique to do time series analysis for shapes of organisms in evolutionary biology, where we discretise via the Fourier basis and then learn the coefficients of the score function with score matching methods.
Activation Map Compression through Tensor Decomposition for Deep Learning
Authors: Le-Trung Nguyen; Aël Quélennec; Enzo Tartaglione; Samuel Tardieu; Van-Tam Nguyen
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Internet of Things and Deep Learning are synergetically and exponentially growing industrial fields with a massive call for their unification into a common framework called Edge AI. While on-device inference is a well-explored topic in recent research, backpropagation remains an open challenge due to its prohibitive computational and memory costs compared to the extreme resource constraints of embedded devices. Drawing on tensor decomposition research, we tackle the main bottleneck of backpropagation, namely the memory footprint of activation map storage. We investigate and compare the effects of activation compression using Singular Value Decomposition and its tensor variant, High-Order Singular Value Decomposition. The application of low-order decomposition results in considerable memory savings while preserving the features essential for learning, and also offers theoretical guarantees to convergence. Experimental results obtained on main-stream architectures and tasks demonstrate Pareto-superiority over other state-of-the-art solutions, in terms of the trade-off between generalization and memory footprint.
Semi-supervised Multi-label Learning with Balanced Binary Angular Margin Loss
Authors: Ximing Li; Silong Liang; Changchun Li; pengfei wang; Fangming Gu
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Semi-supervised multi-label learning (SSMLL) refers to inducing classifiers using a small number of samples with multiple labels and many unlabeled samples. The prevalent solution of SSMLL involves forming pseudo-labels for unlabeled samples and inducing classifiers using both labeled and pseudo-labeled samples in a self-training manner. Unfortunately, with the commonly used binary type of loss and negative sampling, we have empirically found that learning with labeled and pseudo-labeled samples can result in the variance bias problem between the feature distributions of positive and negative samples for each label. To alleviate this problem, we aim to balance the variance bias between positive and negative samples from the perspective of the feature angle distribution for each label. Specifically, we extend the traditional binary angular margin loss to a balanced extension with feature angle distribution transformations under the Gaussian assumption, where the distributions are iteratively updated during classifier training. We also suggest an efficient prototype-based negative sampling method to maintain high-quality negative samples for each label. With this insight, we propose a novel SSMLL method, namely Semi-Supervised Multi-Label Learning with Balanced Binary Angular Margin loss (S$^2$ML$^2$-BBAM). To evaluate the effectiveness of S$^2$ML$^2$-BBAM, we compare it with existing competitors on benchmark datasets. The experimental results validate that S$^2$ML$^2$-BBAM can achieve very competitive performance.
Optimized Feature Generation for Tabular Data via LLMs with Decision Tree Reasoning
Authors: Jaehyun Nam; Kyuyoung Kim; Seunghyuk Oh; Jihoon Tack; Jaehyung Kim; Jinwoo Shin
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments.
To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.
Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing
Authors: Viktor Zaverkin; Francesco Alesiani; Takashi Maruyama; Federico Errica; Henrik Christiansen; Makoto Takamoto; Nicolas Weber; Mathias Niepert
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic potentials achieve accuracy on par with ab initio and first-principles methods at a fraction of their computational cost. The success of machine-learned interatomic potentials arises from integrating inductive biases such as equivariance to group actions on an atomic system, e.g., equivariance to rotations and reflections. In particular, the field has notably advanced with the emergence of equivariant message passing. Most of these models represent an atomic system using spherical tensors, tensor products of which require complicated numerical coefficients and can be computationally demanding. Cartesian tensors offer a promising alternative, though state-of-the-art methods lack flexibility in message-passing mechanisms, restricting their architectures and expressive power. This work explores higher-rank irreducible Cartesian tensors to address these limitations. We integrate irreducible Cartesian tensor products into message-passing neural networks and prove the equivariance and traceless property of the resulting layers. Through empirical evaluations on various benchmark data sets, we consistently observe on-par or better performance than that of state-of-the-art spherical and Cartesian models.
Stochastic Optimal Control Matching
Authors: Carles Domingo-Enrich; Jiequn Han; Brandon Amos; Joan Bruna; Ricky T. Q. Chen
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Stochastic optimal control, which has the goal of driving the behavior of noisy systems, is broadly applicable in science, engineering and artificial intelligence. Our work introduces Stochastic Optimal Control Matching (SOCM), a novel Iterative Diffusion Optimization (IDO) technique for stochastic optimal control that stems from the same philosophy as the conditional score matching loss for diffusion models. That is, the control is learned via a least squares problem by trying to fit a matching vector field. The training loss, which is closely connected to the cross-entropy loss, is optimized with respect to both the control function and a family of reparameterization matrices which appear in the matching vector field. The optimization with respect to the reparameterization matrices aims at minimizing the variance of the matching vector field. Experimentally, our algorithm achieves lower error than all the existing IDO techniques for stochastic optimal control for three out of four control problems, in some cases by an order of magnitude. The key idea underlying SOCM is the path-wise reparameterization trick, a novel technique that may be of independent interest.
Sourcerer: Sample-based Maximum Entropy Source Distribution Estimation
Authors: Julius Vetter; Guy Moss; Cornelius Schröder; Richard Gao; Jakob H. Macke
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Scientific modeling applications often require estimating a distribution of parameters consistent with a dataset of observations - an inference task also known as source distribution estimation. This problem can be ill-posed, however, since many different source distributions might produce the same distribution of data-consistent simulations. To make a principled choice among many equally valid sources, we propose an approach which targets the maximum entropy distribution, i.e., prioritizes retaining as much uncertainty as possible. Our method is purely sample-based - leveraging the Sliced-Wasserstein distance to measure the discrepancy between the dataset and simulations - and thus suitable for simulators with intractable likelihoods. We benchmark our method on several tasks, and show that it can recover source distributions with substantially higher entropy than recent source estimation methods, without sacrificing the fidelity of the simulations. Finally, to demonstrate the utility of our approach, we infer source distributions for parameters of the Hodgkin-Huxley model from experimental datasets with hundreds of single-neuron measurements. In summary, we propose a principled method for inferring source distributions of scientific simulator parameters while retaining as much uncertainty as possible.