mtybilly/Instruct2DS huggingface dataset:
Compositional Image Decomposition with Diffusion Models
Authors: Su, Jocelin and Liu, Nan and Wang, Yanbo and Tenenbaum, Joshua B. and Du, Yilun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Given an image of a natural scene, we are able to quickly decompose it into a set of components such as objects, lighting, shadows, and foreground. We can then envision a scene where we combine certain components with those from other images, for instance a set of objects from our bedroom and animals from a zoo under the lighting conditions of a forest, even if we have never encountered such a scene before. In this paper, we present a method to decompose an image into such compositional components. Our approach, Decomp Diffusion, is an unsupervised method which, when given a single image, infers a set of different components in the image, each represented by a diffusion model. We demonstrate how components can capture different factors of the scene, ranging from global scene descriptors like shadows or facial expression to local scene descriptors like constituent objects. We further illustrate how inferred factors can be flexibly composed, even with factors inferred from other models, to generate a variety of scenes sharply different than those seen in training time. Code and visualizations are at https://energy-based-model.github.io/decomp-diffusion.
Whispering Experts: Neural Interventions for Toxicity Mitigation in Language Models
Authors: Suau, Xavier and Delobelle, Pieter and Metcalf, Katherine and Joulin, Armand and Apostoloff, Nicholas and Zappella, Luca and Rodriguez, Pau
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: An important issue with Large Language Models (LLMs) is their undesired ability to generate toxic language. In this work, we show that the neurons responsible for toxicity can be determined by their power to discriminate toxic sentences, and that toxic language can be mitigated by reducing their activation levels proportionally to this power. We propose AUROC adaptation (AurA), an intervention that can be applied to any pre-trained LLM to mitigate toxicity. As the intervention is proportional to the ability of each neuron to discriminate toxic content, it is free of any model-dependent hyperparameters. We show that AurA can achieve up to $2.2\times$ reduction in toxicity with only a $0.72$ perplexity increase. We also show that AurA is effective with models of different scale (from 1.5B to 40B parameters), and its effectiveness in mitigating toxic language, while preserving common-sense zero-shot abilities, holds across all scales. AurA can be combined with pre-prompting strategies, boosting its average mitigation potential from $1.28\times$ to $2.35\times$. Moreover, AurA can counteract adversarial pre-prompts that maliciously elicit toxic content, making it an effective method for deploying safer and less toxic models.
Revealing Vision-Language Integration in the Brain with Multimodal Networks
Authors: Subramaniam, Vighnesh and Conwell, Colin and Wang, Christopher and Kreiman, Gabriel and Katz, Boris and Cases, Ignacio and Barbu, Andrei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We use (multi)modal deep neural networks (DNNs) to probe for sites of multimodal integration in the human brain by predicting stereoencephalography (SEEG) recordings taken while human subjects watched movies. We operationalize sites of multimodal integration as regions where a multimodal vision-language model predicts recordings better than unimodal language, unimodal vision, or linearly-integrated language-vision models. Our target DNN models span different architectures (e.g., convolutional networks and transformers) and multimodal training techniques (e.g., cross-attention and contrastive learning). As a key enabling step, we first demonstrate that trained vision and language models systematically outperform their randomly initialized counterparts in their ability to predict SEEG signals. We then compare unimodal and multimodal models against one another. Because our target DNN models often have different architectures, number of parameters, and training sets (possibly obscuring those differences attributable to integration), we carry out a controlled comparison of two models (SLIP and SimCLR), which keep all of these attributes the same aside from input modality. Using this approach, we identify a sizable number of neural sites (on average 141 out of 1090 total sites or 12.94%) and brain regions where multimodal integration seems to occur. Additionally, we find that among the variants of multimodal training techniques we assess, CLIP-style training is the best suited for downstream prediction of the neural activity in these sites.
Networked Inequality: Preferential Attachment Bias in Graph Neural Network Link Prediction
Authors: Subramonian, Arjun and Sagun, Levent and Sun, Yizhou
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph neural network (GNN) link prediction is increasingly deployed in citation, collaboration, and online social networks to recommend academic literature, collaborators, and friends. While prior research has investigated the dyadic fairness of GNN link prediction, the within-group (e.g., queer women) fairness and "rich get richer" dynamics of link prediction remain underexplored. However, these aspects have significant consequences for degree and power imbalances in networks. In this paper, we shed light on how degree bias in networks affects Graph Convolutional Network (GCN) link prediction. In particular, we theoretically uncover that GCNs with a symmetric normalized graph filter have a within-group preferential attachment bias. We validate our theoretical analysis on real-world citation, collaboration, and online social networks. We further bridge GCN’s preferential attachment bias with unfairness in link prediction and propose a new within-group fairness metric. This metric quantifies disparities in link prediction scores within social groups, towards combating the amplification of degree and power disparities. Finally, we propose a simple training-time strategy to alleviate within-group unfairness, and we show that it is effective on citation, social, and credit networks.
Enforcing Constraints in RNA Secondary Structure Predictions: A Post-Processing Framework Based on the Assignment Problem
Authors: Suh, Geewon and Hwang, Gyeongjo and Kang, Seokjun and Baek, Doojin and Kang, Mingeun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: RNA properties, such as function and stability, are intricately tied to their two-dimensional conformations. This has spurred the development of computational models for predicting the RNA secondary structures, leveraging dynamic programming or machine learning (ML) techniques. These structures are governed by specific rules; for example, only Watson-Crick and Wobble pairs are allowed, and sequences must not form sharp bends. Recent efforts introduced a systematic approach to post-process the predictions made by ML algorithms, aiming to modify them to respect the constraints. However, we still observe instances violating the requirements, significantly reducing biological relevance. To address this challenge, we present a novel post-processing framework for ML-based predictions on RNA secondary structures, inspired by the assignment problem in integer linear programming. Our algorithm offers a theoretical guarantee, ensuring that the resulting predictions adhere to the fundamental constraints of RNAs. Empirical evidence supports the efficacy of our approach, demonstrating improved predictive performance with no constraint violation, while requiring less running time.
ED-Copilot: Reduce Emergency Department Wait Time with Language Model Diagnostic Assistance
Authors: Sun, Liwen and Agarwal, Abhineet and Kornblith, Aaron and Yu, Bin and Xiong, Chenyan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In the emergency department (ED), patients undergo triage and multiple laboratory tests before diagnosis. This time-consuming process causes ED crowding which impacts patient mortality, medical errors, staff burnout, etc. This work proposes (time) <em>cost-effective diagnostic assistance</em> that leverages artificial intelligence systems to help ED clinicians make efficient and accurate diagnoses. In collaboration with ED clinicians, we use public patient data to curate MIMIC-ED-Assist, a benchmark for AI systems to suggest laboratory tests that minimize wait time while accurately predicting critical outcomes such as death. With MIMIC-ED-Assist, we develop ED-Copilot which sequentially suggests patient-specific laboratory tests and makes diagnostic predictions. ED-Copilot employs a pre-trained bio-medical language model to encode patient information and uses reinforcement learning to minimize ED wait time and maximize prediction accuracy. On MIMIC-ED-Assist, ED-Copilot improves prediction accuracy over baselines while halving average wait time from four hours to two hours. ED-Copilot can also effectively personalize treatment recommendations based on patient severity, further highlighting its potential as a diagnostic assistant. Since MIMIC-ED-Assist is a retrospective benchmark, ED-Copilot is restricted to recommend only observed tests. We show ED-Copilot achieves competitive performance without this restriction as the maximum allowed time increases. Our code is available at https://github.com/cxcscmu/ED-Copilot.
Breaking the Barrier: Enhanced Utility and Robustness in Smoothed DRL Agents
Authors: Sun, Chung-En and Gao, Sicun and Weng, Tsui-Wei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Robustness remains a paramount concern in deep reinforcement learning (DRL), with randomized smoothing emerging as a key technique for enhancing this attribute. However, a notable gap exists in the performance of current smoothed DRL agents, often characterized by significantly low clean rewards and weak robustness. In response to this challenge, our study introduces innovative algorithms aimed at training effective smoothed robust DRL agents. We propose S-DQN and S-PPO, novel approaches that demonstrate remarkable improvements in clean rewards, empirical robustness, and robustness guarantee across standard RL benchmarks. Notably, our S-DQN and S-PPO agents not only significantly outperform existing smoothed agents by an average factor of $2.16\times$ under the strongest attack, but also surpass previous robustly-trained agents by an average factor of $2.13\times$. This represents a significant leap forward in the field. Furthermore, we introduce Smoothed Attack, which is $1.89\times$ more effective in decreasing the rewards of smoothed agents than existing adversarial attacks. Our code is available at: https://github.com/Trustworthy-ML-Lab/Robust_HighUtil_Smoothed_DRL
Representing Molecules as Random Walks Over Interpretable Grammars
Authors: Sun, Michael and Guo, Minghao and Yuan, Weize and Thost, Veronika and Owens, Crystal Elaine and Grosz, Aristotle Franklin and Selvan, Sharvaa and Zhou, Katelyn and Mohiuddin, Hassan and Pedretti, Benjamin J and Smith, Zachary P and Chen, Jie and Matusik, Wojciech
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex molecular structures with fewer examples that are carefully designed using known substructures. We propose a data-efficient and interpretable model for representing and reasoning over such molecules in terms of graph grammars that explicitly describe the hierarchical design space featuring motifs to be the design basis. We present a novel representation in the form of random walks over the design space, which facilitates both molecule generation and property prediction. We demonstrate clear advantages over existing methods in terms of performance, efficiency, and synthesizability of predicted molecules, and we provide detailed insights into the method’s chemical interpretability.
Constrained Reinforcement Learning Under Model Mismatch
Authors: Sun, Zhongchang and He, Sihong and Miao, Fei and Zou, Shaofeng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Existing studies on constrained reinforcement learning (RL) may obtain a well-performing policy in the training environment. However, when deployed in a real environment, it may easily violate constraints that were originally satisfied during training because there might be model mismatch between the training and real environments. To address this challenge, we formulate the problem as constrained RL under model uncertainty, where the goal is to learn a policy that optimizes the reward and at the same time satisfies the constraint under model mismatch. We develop a Robust Constrained Policy Optimization (RCPO) algorithm, which is the first algorithm that applies to large/continuous state space and has theoretical guarantees on worst-case reward improvement and constraint violation at each iteration during the training. We show the effectiveness of our algorithm on a set of RL tasks with constraints.
DFA-RAG: Conversational Semantic Router for Large Language Model with Definite Finite Automaton
Authors: Sun, Yiyou and Hu, Junjie and Cheng, Wei and Chen, Haifeng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper introduces the retrieval-augmented large language model with Definite Finite Automaton (DFA-RAG), a novel framework designed to enhance the capabilities of conversational agents using large language models (LLMs). Traditional LLMs face challenges in generating regulated and compliant responses in special scenarios with predetermined response guidelines, like emotional support and customer service. Our framework addresses these challenges by embedding a Definite Finite Automaton (DFA), learned from training dialogues, within the LLM. This structured approach acts as a semantic router which enables the LLM to adhere to a deterministic response pathway. The routing is achieved by the retrieval-augmentation generation (RAG) strategy, which carefully selects dialogue examples aligned with the current conversational context. The advantages of DFA-RAG include an interpretable structure through human-readable DFA, context-aware retrieval for responses in conversations, and plug-and-play compatibility with existing LLMs. Extensive benchmarks validate DFA-RAG’s effectiveness, indicating its potential as a valuable contribution to the conversational agent.
Online Algorithms with Uncertainty-Quantified Predictions
Authors: Sun, Bo and Huang, Jerry and Christianson, Nicolas and Hajiesmaili, Mohammad and Wierman, Adam and Boutaba, Raouf
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The burgeoning field of algorithms with predictions studies the problem of using possibly imperfect machine learning predictions to improve online algorithm performance. While nearly all existing algorithms in this framework make no assumptions on prediction quality, a number of methods providing uncertainty quantification (UQ) on machine learning models have been developed in recent years, which could enable additional information about prediction quality at decision time. In this work, we investigate the problem of optimally utilizing uncertainty-quantified predictions in the design of online algorithms. In particular, we study two classic online problems, ski rental and online search, where the decision-maker is provided predictions augmented with UQ describing the likelihood of the ground truth falling within a particular range of values. We demonstrate that non-trivial modifications to algorithm design are needed to fully leverage the UQ predictions. Moreover, we consider how to utilize more general forms of UQ, proposing an online learning framework that learns to exploit UQ to make decisions in multi-instance settings.
LSEnet: Lorentz Structural Entropy Neural Network for Deep Graph Clustering
Authors: Sun, Li and Huang, Zhenhao and Peng, Hao and Wang, Yujie and Liu, Chunyang and Yu, Philip S.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph clustering is a fundamental problem in machine learning. Deep learning methods achieve the state-of-the-art results in recent years, but they still cannot work without predefined cluster numbers. Such limitation motivates us to pose a more challenging problem of graph clustering with unknown cluster number. We propose to address this problem from a fresh perspective of graph information theory (i.e., structural information). In the literature, structural information has not yet been introduced to deep clustering, and its classic definition falls short of discrete formulation and modeling node features. In this work, we first formulate a differentiable structural information (DSI) in the continuous realm, accompanied by several theoretical results. By minimizing DSI, we construct the optimal partitioning tree where densely connected nodes in the graph tend to have the same assignment, revealing the cluster struc- ture. DSI is also theoretically presented as a new graph clustering objective, not requiring the pre-defined cluster number. Furthermore, we design a neural LSEnet in the Lorentz model of hyperbolic space, where we integrate node features to structural information via manifold-valued graph convolution. Extensive empirical results on real graphs show the superiority of our approach.
Online Adaptive Anomaly Thresholding with Confidence Sequences
Authors: Sun, Sophia Huiwen and Sankararaman, Abishek and Narayanaswamy, Balakrishnan Murali
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Selecting appropriate thresholds for anomaly detection in online, unsupervised settings is a challenging task, especially in the presence of data distribution shifts. Addressing these challenges is critical in many practical large scale systems, such as infrastructure monitoring and network intrusion detection. This paper proposes an algorithm that connects online thresholding with constructing confidence sequences achieving (1) adaptive online threshold selection robust to distribution shifts, (2) statistical guarantees on false positive and false negative rates without any distributional assumptions, and (3) improved performance when given relevant offline data to warm-start the online algorithm, while having bounded degradation if the offline data is irrelevant. We complement our theoretical results by empirical evidence that our method outperforms commonly used baselines across synthetic and real world datasets.
Learning Graph Representation via Graph Entropy Maximization
Authors: Sun, Ziheng and Wang, Xudong and Ding, Chris and Fan, Jicong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph representation learning aims to represent graphs as vectors that can be utilized in downstream tasks such as graph classification. In this work, we focus on learning diverse representations that can capture the graph information as much as possible. We propose quantifying graph information using graph entropy, where we define a probability distribution of a graph based on its nodes’ representations and global-graph representation. However, the computation of graph entropy is NP-hard due to the complex vertex-packing polytope involved in its definition. To address this challenge, we provide an approximation method leveraging orthonormal representations for graph entropy maximization. The proposed method is implemented via graph neural networks, resulting in informative node-level and graph-level representations. Experimental results demonstrate the effectiveness of our method in comparison to many baselines in unsupervised learning and semi-supervised learning tasks. The code of our method is available at https://github.com/MathAdventurer/GeMax.
FedBPT: Efficient Federated Black-box Prompt Tuning for Large Language Models
Authors: Sun, Jingwei and Xu, Ziyue and Yin, Hongxu and Yang, Dong and Xu, Daguang and Liu, Yudong and Du, Zhixu and Chen, Yiran and Roth, Holger R
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Pre-trained language models (PLM) have revolutionized the NLP landscape, achieving stellar performances across diverse tasks. These models, while benefiting from vast training data, often require fine-tuning on specific data to cater to distinct downstream tasks. However, this data adaptation process has inherent security and privacy concerns, primarily when leveraging user-generated, device-residing data. Federated learning (FL) provides a solution, allowing collaborative model fine-tuning without centralized data collection. However, applying FL to finetune PLMs is hampered by challenges, including restricted model parameter access due to the high encapsulation, high computational requirements, and communication overheads. This paper introduces Federated Black-box Prompt Tuning (FedBPT), a framework designed to address these challenges. FedBPT allows the clients to treat the model as a black-box inference API. By focusing on training optimal prompts and utilizing gradient-free optimization methods, FedBPT reduces the number of exchanged variables, boosts communication efficiency, and minimizes computational and storage costs. Experiments highlight the framework’s ability to drastically cut communication and memory costs while maintaining competitive performance. Ultimately, FedBPT presents a promising solution for efficient, privacy-preserving fine-tuning of PLM in the age of large language models.
Regression Learning with Limited Observations of Multivariate Outcomes and Features
Authors: Sun, Yifan and Yi, Grace
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Multivariate linear regression models are broadly used to facilitate relationships between outcomes and features. However, their effectiveness is compromised by the presence of missing observations, a ubiquitous challenge in real-world applications. Considering a scenario where learners access only limited components for both outcomes and features, we develop efficient algorithms tailored for the least squares ($L_2$) and least absolute ($L_1$) loss functions, each coupled with a ridge-like and Lasso-type penalty, respectively. Moreover, we establish rigorous error bounds for all proposed algorithms. Notably, our $L_2$ loss function algorithms are probably approximately correct (PAC), distinguishing them from their $L_1$ counterparts. Extensive numerical experiments show that our approach outperforms methods that apply existing algorithms for univariate outcome individually to each coordinate of multivariate outcomes in a naive manner. Further, utilizing the $L_1$ loss function or introducing a Lasso-type penalty can enhance predictions in the presence of outliers or high dimensional features. This research contributes valuable insights into addressing the challenges posed by incomplete data.
video-SALMONN: Speech-Enhanced Audio-Visual Large Language Models
Authors: Sun, Guangzhi and Yu, Wenyi and Tang, Changli and Chen, Xianzhao and Tan, Tian and Li, Wei and Lu, Lu and Ma, Zejun and Wang, Yuxuan and Zhang, Chao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Speech understanding as an element of the more generic video understanding using audio-visual large language models (av-LLMs) is a crucial yet understudied aspect. This paper proposes video-SALMONN, a single end-to-end av-LLM for video processing, which can understand not only visual frame sequences, audio events and music, but speech as well. To obtain fine-grained temporal information required by speech understanding, while keeping efficient for other video elements, this paper proposes a novel multi-resolution causal Q-Former (MRC Q-Former) structure to connect pre-trained audio-visual encoders and the backbone large language model. Moreover, dedicated training approaches including the diversity loss and the unpaired audio-visual mixed training scheme are proposed to avoid frames or modality dominance. On the introduced audio-visual evaluation benchmark, video-SALMONN achieves more than 25% absolute accuracy improvements on the video-QA task and over 30% absolute accuracy improvements on audio-visual QA tasks with human speech. In addition, video-SALMONN demonstrates remarkable video comprehension and reasoning abilities on tasks that are unprecedented by other av-LLMs. Our training code and model checkpoints are available at https://github.com/bytedance/SALMONN/
Learning High-Frequency Functions Made Easy with Sinusoidal Positional Encoding
Authors: Sun, Chuanhao and Yuan, Zhihang and Xu, Kai and Mai, Luo and N, Siddharth and Chen, Shuo and Marina, Mahesh K.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Fourier features based positional encoding (PE) is commonly used in machine learning tasks that involve learning high-frequency features from low-dimensional inputs, such as 3D view synthesis and time series regression with neural tangent kernels. Despite their effectiveness, existing PEs require manual, empirical adjustment of crucial hyperparameters, specifically the Fourier features, tailored to each unique task. Further, PEs face challenges in efficiently learning high-frequency functions, particularly in tasks with limited data. In this paper, we introduce sinusoidal PE (SPE), designed to efficiently learn adaptive frequency features closely aligned with the true underlying function. Our experiments demonstrate that SPE, without hyperparameter tuning, consistently achieves enhanced fidelity and faster training across various tasks, including 3D view synthesis, Text-to-Speech generation, and 1D regression. SPE is implemented as a direct replacement for existing PEs. Its plug-and-play nature lets numerous tasks easily adopt and benefit from SPE.
Learning Latent Dynamic Robust Representations for World Models
Authors: Sun, Ruixiang and Zang, Hongyu and Li, Xin and Islam, Riashat
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Visual Model-Based Reinforcement Learning (MBRL) promises to encapsulate agent’s knowledge about the underlying dynamics of the environment, enabling learning a world model as a useful planner. However, top MBRL agents such as Dreamer often struggle with visual pixel-based inputs in the presence of exogenous or irrelevant noise in the observation space, due to failure to capture task-specific features while filtering out irrelevant spatio-temporal details. To tackle this problem, we apply a spatio-temporal masking strategy, a bisimulation principle, combined with latent reconstruction, to capture endogenous task-specific aspects of the environment for world models, effectively eliminating non-essential information. Joint training of representations, dynamics, and policy often leads to instabilities. To further address this issue, we develop a Hybrid Recurrent State-Space Model (HRSSM) structure, enhancing state representation robustness for effective policy learning. Our empirical evaluation demonstrates significant performance improvements over existing methods in a range of visually complex control tasks such as Maniskill with exogenous distractors from the Matterport environment. Our code is avaliable at https://github.com/bit1029public/HRSSM.
Self-cognitive Denoising in the Presence of Multiple Noisy Label Sources
Authors: Sun, Yi-Xuan and Zhang, Ya-Lin and Han, Bin and Li, Longfei and Zhou, Jun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The strong performance of neural networks typically hinges on the availability of extensive labeled data, yet acquiring ground-truth labels is often challenging. Instead, noisy supervisions from multiple sources, e.g., by multiple well-designed rules, are more convenient to collect. In this paper, we focus on the realistic problem of learning from multiple noisy label sources, and argue that prior studies have overlooked the crucial <em>self-cognition</em> ability of neural networks, i.e., the inherent capability of autonomously distinguishing noise during training. We theoretically analyze this ability of neural networks when meeting multiple noisy label sources, which reveals that neural networks possess the capability to recognize both instance-wise noise within each single noisy label source and annotator-wise quality among multiple noisy label sources. Inspired by the theoretical analyses, we introduce an approach named Self-cognitive Denoising for Multiple noisy label sources (SDM), which exploits the self-cognition ability of neural networks to denoise during training. Furthermore, we build a selective distillation module following the theoretical insights to optimize computational efficiency. The experiments on various datasets demonstrate the superiority of our method.
BBox-Adapter: Lightweight Adapting for Black-Box Large Language Models
Authors: Sun, Haotian and Zhuang, Yuchen and Wei, Wei and Zhang, Chao and Dai, Bo
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Adapting state-of-the-art Large Language Models (LLMs) like GPT-4 and Gemini for specific tasks is challenging. Due to the opacity in their parameters, embeddings, and even output probabilities, existing fine-tuning adaptation methods are inapplicable. Consequently, adapting these black-box LLMs is only possible through their API services, raising concerns about transparency, privacy, and cost. To address these challenges, we introduce BBox-Adapter, a novel lightweight adapter for black-box LLMs. BBox-Adapter distinguishes target and source domain data by treating target data as positive and source data as negative. It employs a ranking-based Noise Contrastive Estimation (NCE) loss to promote the likelihood of target domain data while penalizing that of the source domain. Furthermore, it features an online adaptation mechanism, which incorporates real-time positive data sampling from ground-truth, human, or AI feedback, coupled with negative data from previous adaptations. Extensive experiments demonstrate BBox-Adapter’s effectiveness and cost efficiency. It improves model performance by up to 6.77% across diverse tasks and domains, while reducing training and inference costs by 31.30x and 1.84x, respectively.
On a Combinatorial Problem Arising in Machine Teaching
Authors: Sunde, Joakim and Håvardstun, Brigt and Kratochvíl, Jan and Telle, Jan Arne
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study a model of machine teaching where the teacher mapping is constructed from a size function on both concepts and examples. The main question in machine teaching is the minimum number of examples needed for any concept, the so-called teaching dimension. A recent paper (Ferri et al., 2024) conjectured that the worst case for this model, as a function of the size of the concept class, occurs when the consistency matrix contains the binary representations of numbers from zero and up. In this paper we prove their conjecture. The result can be seen as a generalization of a theorem resolving the edge isoperimetry problem for hypercubes (Hart, 1976), and our proof is based on a lemma of (Graham, 1970).
Interpretable Deep Clustering for Tabular Data
Authors: Svirsky, Jonathan and Lindenbaum, Ofir
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Clustering is a fundamental learning task widely used as a first step in data analysis. For example, biologists use cluster assignments to analyze genome sequences, medical records, or images. Since downstream analysis is typically performed at the cluster level, practitioners seek reliable and interpretable clustering models. We propose a new deep-learning framework for general domain tabular data that predicts interpretable cluster assignments at the instance and cluster levels. First, we present a self-supervised procedure to identify the subset of the most informative features from each data point. Then, we design a model that predicts cluster assignments and a gate matrix that provides cluster-level feature selection. Overall, our model provides cluster assignments with an indication of the driving feature for each sample and each cluster. We show that the proposed method can reliably predict cluster assignments in biological, text, image, and physics tabular datasets. Furthermore, using previously proposed metrics, we verify that our model leads to interpretable results at a sample and cluster level. Our code is available on https://github.com/jsvir/idc.
Reinforcement Learning from Reachability Specifications: PAC Guarantees with Expected Conditional Distance
Authors: Svoboda, Jakub and Bansal, Suguman and Chatterjee, Krishnendu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Reinforcement Learning (RL) from temporal logical specifications is a fundamental problem in sequential decision making. One of the basic and core such specification is the reachability specification that requires a target set to be eventually visited. Despite strong empirical results for RL from such specifications, the theoretical guarantees are bleak, including the impossibility of Probably Approximately Correct (PAC) guarantee for reachability specifications. Given the impossibility result, in this work we consider the problem of RL from reachability specifications along with the information of expected conditional distance (ECD). We present (a) lower bound results which establish the necessity of ECD information for PAC guarantees and (b) an algorithm that establishes PAC-guarantees given the ECD information. To the best of our knowledge, this is the first RL from reachability specifications that does not make any assumptions on the underlying environment to learn policies.
A Minimaximalist Approach to Reinforcement Learning from Human Feedback
Authors: Swamy, Gokul and Dann, Christoph and Kidambi, Rahul and Wu, Steven and Agarwal, Alekh
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We present <em>Self-Play Preference Optimization</em> (SPO), an algorithm for reinforcement learning from human feedback. Our approach is <em>minimalist</em> in that it does not require training a reward model nor unstable adversarial training and is therefore rather simple to implement. Our approach is <em>maximalist</em> in that it provably handles non-Markovian, intransitive, and stochastic preferences while being robust to the compounding errors that plague offline approaches to sequential prediction. To achieve the preceding qualities, we build upon the concept of a <em>Minimax Winner</em> (MW), a notion of preference aggregation from the social choice theory literature that frames learning from preferences as a zero-sum game between two policies. By leveraging the symmetry of this game, we prove that rather than using the traditional technique of dueling two policies to compute the MW, we can simply have a <em>single</em> agent play against itself while maintaining strong convergence guarantees. Practically, this corresponds to sampling multiple trajectories from a policy, asking a <em>preference</em> or teacher model to compare them, and then using the proportion of wins as the reward for a particular trajectory. We demonstrate that on a suite of continuous control tasks, we are able to learn significantly more efficiently than reward-model based approaches while maintaining robustness to the intransitive and stochastic preferences that frequently occur in practice when aggregating human judgments.
Fast Sampling-Based Sketches for Tensors
Authors: Swartworth, William Joseph and Woodruff, David
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce a new approach for applying sampling-based sketches to two and three mode tensors. We illustrate our technique to construct sketches for the classical problems of $\ell_0$ sampling and producing $\ell_1$ embeddings. In both settings we achieve sketches that can be applied to a rank one tensor in $(ℝ^d)^øtimes q$ (for $q=2,3$) in time scaling with $d$ rather than $d^2$ or $d^3$. Our main idea is a particular sampling construction based on fast convolution which allows us to quickly compute sums over sufficiently random subsets of tensor entries.
Sample Complexity Bounds for Estimating Probability Divergences under Invariances
Authors: Tahmasebi, Behrooz and Jegelka, Stefanie
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Group-invariant probability distributions appear in many data-generative models in machine learning, such as graphs, point clouds, and images. In practice, one often needs to estimate divergences between such distributions. In this work, we study how the inherent invariances, with respect to any smooth action of a Lie group on a manifold, improve sample complexity when estimating the 1-Wasserstein distance, the Sobolev Integral Probability Metrics (Sobolev IPMs), the Maximum Mean Discrepancy (MMD), and also the complexity of the density estimation problem (in the $L^2$ and $L^ınfty$ distance). Our results indicate a two-fold gain: (1) reducing the sample complexity by a multiplicative factor corresponding to the group size (for finite groups) or the normalized volume of the quotient space (for groups of positive dimension); (2) improving the exponent in the convergence rate (for groups of positive dimension). These results are completely new for groups of positive dimension and extend recent bounds for finite group actions.
A Universal Class of Sharpness-Aware Minimization Algorithms
Authors: Tahmasebi, Behrooz and Soleymani, Ashkan and Bahri, Dara and Jegelka, Stefanie and Jaillet, Patrick
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recently, there has been a surge in interest in developing optimization algorithms for overparameterized models as achieving generalization is believed to require algorithms with suitable biases. This interest centers on minimizing sharpness of the original loss function; the Sharpness-Aware Minimization (SAM) algorithm has proven effective. However, most literature only considers a few sharpness measures, such as the maximum eigenvalue or trace of the training loss Hessian, which may not yield meaningful insights for non-convex optimization scenarios like neural networks. Additionally, many sharpness measures are sensitive to parameter invariances in neural networks, magnifying significantly under rescaling parameters. Motivated by these challenges, we introduce a new class of sharpness measures in this paper, leading to new sharpness-aware objective functions. We prove that these measures are <em>universally expressive</em>, allowing any function of the training loss Hessian matrix to be represented by appropriate hyperparameters. Furthermore, we show that the proposed objective functions explicitly bias towards minimizing their corresponding sharpness measures, and how they allow meaningful applications to models with parameter invariances (such as scale-invariances). Finally, as instances of our proposed general framework, we present <em>Frob-SAM</em> and <em>Det-SAM</em>, which are specifically designed to minimize the Frobenius norm and the determinant of the Hessian of the training loss, respectively. We also demonstrate the advantages of our general framework through extensive experiments.
Preference Fine-Tuning of LLMs Should Leverage Suboptimal, On-Policy Data
Authors: Tajwar, Fahim and Singh, Anikait and Sharma, Archit and Rafailov, Rafael and Schneider, Jeff and Xie, Tengyang and Ermon, Stefano and Finn, Chelsea and Kumar, Aviral
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Learning from preference labels plays a crucial role in fine-tuning large language models — this is done via supervised learning, on-policy reinforcement learning (RL), or contrastive learning. Different methods come with different implementation tradeoffs, and existing empirical findings present different conclusions, for instance, some results show that online RL is quite important to attain good fine-tuning results, while others find offline methods sufficient. This raises a question: <b>what kind of approaches are important for fine-tuning with preference data and why?</b> In this paper, we answer this question by performing a rigorous analysis of a number of fine-tuning techniques on didactic and full-scale LLM problems. Our main finding is that approaches that use on-policy sampling and attempt to push down the likelihood on certain responses (i.e., employ a ”negative gradient”) outperform offline and maximum likelihood objectives. We conceptualize our insights and unify methods that use on-policy sampling or negative gradient under a notion of mode-seeking objectives for categorical distributions. Mode-seeking objectives are able to alter probability mass on specific bins of a categorical distribution at a fast rate compared to maximum likelihood, allowing them to relocate masses across bins more effectively. Our analysis prescribes actionable insights for preference fine-tuning of LLMs and informs how data should be collected for maximal improvement.
Mean-field Analysis on Two-layer Neural Networks from a Kernel Perspective
Authors: Takakura, Shokichi and Suzuki, Taiji
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we study the feature learning ability of two-layer neural networks in the mean-field regime through the lens of kernel methods. To focus on the dynamics of the kernel induced by the first layer, we utilize a two-timescale limit, where the second layer moves much faster than the first layer. In this limit, the learning problem is reduced to the minimization problem over the intrinsic kernel. Then, we show the global convergence of the mean-field Langevin dynamics and derive time and particle discretization error. We also demonstrate that two-layer neural networks can learn a union of multiple reproducing kernel Hilbert spaces more efficiently than any kernel methods, and neural networks aquire data-dependent kernel which aligns with the target function. In addition, we develop a label noise procedure, which converges to the global optimum and show that the degrees of freedom appears as an implicit reguralization.
Posterior Sampling-Based Bayesian Optimization with Tighter Bayesian Regret Bounds
Authors: Takeno, Shion and Inatsu, Yu and Karasuyama, Masayuki and Takeuchi, Ichiro
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Among various acquisition functions (AFs) in Bayesian optimization (BO), Gaussian process upper confidence bound (GP-UCB) and Thompson sampling (TS) are well-known options with established theoretical properties regarding Bayesian cumulative regret (BCR). Recently, it has been shown that a randomized variant of GP-UCB achieves a tighter BCR bound compared with GP-UCB, which we call the tighter BCR bound for brevity. Inspired by this study, this paper first shows that TS achieves the tighter BCR bound. On the other hand, GP-UCB and TS often practically suffer from manual hyperparameter tuning and over-exploration issues, respectively. Therefore, we analyze yet another AF called a probability of improvement from the maximum of a sample path (PIMS). We show that PIMS achieves the tighter BCR bound and avoids the hyperparameter tuning, unlike GP-UCB. Furthermore, we demonstrate a wide range of experiments, focusing on the effectiveness of PIMS that mitigates the practical issues of GP-UCB and TS.
Codebook Features: Sparse and Discrete Interpretability for Neural Networks
Authors: Tamkin, Alex and Taufeeque, Mohammad and Goodman, Noah
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. In addition, we can control a model’s behavior by finding codes that activate on a desired behavior, then activating those same codes during generation. We first validate codebook features on a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. We then train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics and pronoun genders by activating these codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at this URL.