GenAI4ELab/papercli-papers huggingface dataset:
Don't be so Negative! Score-based Generative Modeling with Oracle-assisted Guidance
Authors: Saeid Naderiparizi; Xiaoxuan Liang; Setareh Cohan; Berend Zwartsenberg; Frank Wood
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Score-based diffusion models are a powerful class of generative models, widely utilized across diverse domains. Despite significant advancements in large-scale tasks such as text-to-image generation, their application to constrained domains has received considerably less attention. This work addresses model learning in a setting where, in addition to the training dataset, there further exists side-information in the form of an oracle that can label samples as being outside the support of the true data generating distribution. Specifically we develop a new denoising diffusion probabilistic modeling methodology, Gen-neG, that leverages this additional side-information. Gen-neG builds on classifier guidance in diffusion models to guide the generation process towards the positive support region indicated by the oracle. We empirically establish the utility of Gen-neG in applications including collision avoidance in self-driving simulators and safety-guarded human motion generation.
LangCell: Language-Cell Pre-training for Cell Identity Understanding
Authors: Suyuan Zhao; Jiahuan Zhang; Yushuai Wu; YIZHEN LUO; Zaiqing Nie
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Cell identity encompasses various semantic aspects of a cell, including cell type, pathway information, disease information, and more, which are essential for biologists to gain insights into its biological characteristics. Understanding cell identity from the transcriptomic data, such as annotating cell types, has become an important task in bioinformatics. As these semantic aspects are determined by human experts, it is impossible for AI models to effectively carry out cell identity understanding tasks without the supervision signals provided by single-cell and label pairs. The single-cell pre-trained language models (PLMs) currently used for this task are trained only on a single modality, transcriptomics data, lack an understanding of cell identity knowledge. As a result, they have to be fine-tuned for downstream tasks and struggle when lacking labeled data with the desired semantic labels. To address this issue, we propose an innovative solution by constructing a unified representation of single-cell data and natural language during the pre-training phase, allowing the model to directly incorporate insights related to cell identity. More specifically, we introduce **LangCell**, the first **Lang**uage-**Cell** pre-training framework. LangCell utilizes texts enriched with cell identity information to gain a profound comprehension of cross-modal knowledge. Results from experiments conducted on different benchmarks show that LangCell is the only single-cell PLM that can work effectively in zero-shot cell identity understanding scenarios, and also significantly outperforms existing models in few-shot and fine-tuning cell identity understanding scenarios.
Causal Representation Learning from Multiple Distributions: A General Setting
Authors: Kun Zhang; Shaoan Xie; Ignavier Ng; Yujia Zheng
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the latent causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the latent causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, most latent variables can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.
Diffusion Models Demand Contrastive Guidance for Adversarial Purification to Advance
Authors: Mingyuan Bai; Wei Huang; Tenghui Li; Andong Wang; Junbin Gao; Cesar F Caiafa; Qibin Zhao
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In adversarial defense, adversarial purification can be viewed as a special generation task with the purpose to remove adversarial attacks and diffusion models excel in adversarial purification for their strong generative power. With different predetermined generation requirements, various types of guidance have been proposed, but few of them focuses on adversarial purification. In this work, we propose to guide diffusion models for adversarial purification using contrastive guidance. We theoretically derive the proper noise level added in the forward process diffusion models for adversarial purification from a feature learning perspective. For the reverse process, it is implied that the role of contrastive loss guidance is to facilitate the evolution towards the signal direction. From the theoretical findings and implications, we design the forward process with the proper amount of Gaussian noise added and the reverse process with the gradient of contrastive loss as the guidance of diffusion models for adversarial purification. Empirically, extensive experiments on CIFAR-10, CIFAR-100, the German Traffic Sign Recognition Benchmark and ImageNet datasets with ResNet and WideResNet classifiers show that our method outperforms most of current adversarial training and adversarial purification methods by a large improvement.
PairNet: Training with Observed Pairs to Estimate Individual Treatment Effect
Authors: Lokesh Nagalapatti; Pranava Singhal; Avishek Ghosh; Sunita Sarawagi
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Given a dataset of individuals each described by a covariate vector, a treatment, and an observed outcome on the treatment, the goal of the individual treatment effect (ITE) estimation task is to predict outcome changes resulting from a change in treatment. A fundamental challenge is that in the observational data, a covariate’s outcome is observed only under one treatment, whereas we need to infer the difference in outcomes under two different treatments. Several existing approaches address this issue through training with inferred pseudo-outcomes, but their success relies on the quality of these pseudo-outcomes. We propose PairNet, a novel ITE estimation training strategy that minimizes losses over pairs of examples based on their factual observed outcomes. Theoretical analysis for binary treatments reveals that PairNet is a consistent estimator of ITE risk, and achieves smaller generalization error than baseline models. Empirical comparison with thirteen existing methods across eight benchmarks, covering both discrete and continuous treatments, shows that PairNet achieves significantly lower ITE error compared to the baselines. Also, it is model-agnostic and easy to implement.
Position: Open-Endedness is Essential for Artificial Superhuman Intelligence
Authors: Edward Hughes; Michael D Dennis; Jack Parker-Holder; Feryal Behbahani; Aditi Mavalankar; Yuge Shi; Tom Schaul; Tim Rocktäschel
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: In recent years there has been a tremendous surge in the general capabilities of AI systems, mainly fuelled by training foundation models on internet-scale data. Nevertheless, the creation of open-ended, ever self-improving AI remains elusive. **In this position paper, we argue that the ingredients are now in place to achieve *open-endedness* in AI systems with respect to a human observer. Furthermore, we claim that such open-endedness is an essential property of any artificial superhuman intelligence (ASI).** We begin by providing a concrete formal definition of open-endedness through the lens of novelty and learnability. We then illustrate a path towards ASI via open-ended systems built on top of foundation models, capable of making novel, human-relevant discoveries. We conclude by examining the safety implications of generally-capable open-ended AI. We expect that open-ended foundation models will prove to be an increasingly fertile and safety-critical area of research in the near future.
Simple linear attention language models balance the recall-throughput tradeoff
Authors: Simran Arora; Sabri Eyuboglu; Michael Zhang; Aman Timalsina; Silas Alberti; James Zou; Atri Rudra; Christopher Re
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Recent work has shown that attention-based language models excel at "recall", the ability to ground generations in tokens previously seen in context. However, the efficiency of attention-based models is bottle-necked during inference by the KV-cache's aggressive memory consumption. In this work, we explore whether we can improve language model efficiency (e.g. by reducing memory consumption) without compromising on recall. By applying experiments and theory to a broad set of architectures, we identify a key tradeoff between a model's recurrent state size and recall ability. We show that efficient alternatives to attention (e.g. H3, Mamba, RWKV) maintain a fixed-size recurrent state, but struggle at recall. We propose BASED a simple architecture combining linear and sliding window attention. By varying BASED window size and linear attention feature dimension, we can dial the state size and traverse the Pareto frontier of the recall-memory tradeoff curve, recovering the full quality of attention on one end and the small state size of attention-alternatives on the other. We train language models up to $1.3$b parameters and show that BASED matches the strongest sub-quadratic models (e.g. Mamba) in perplexity and outperforms them on real-world recall-intensive tasks by 10.36 accuracy points. We further develop IO-aware algorithms that enable BASED to provide 24× higher throughput on language generation than FlashAttention-2, when generating 1024 tokens using 1.3b parameter models. Overall, BASED expands the Pareto frontier of the throughput-recall tradeoff space beyond prior architectures.
Meta-Learners for Partially-Identified Treatment Effects Across Multiple Environments
Authors: Jonas Schweisthal; Dennis Frauen; Mihaela van der Schaar; Stefan Feuerriegel
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Estimating the conditional average treatment effect (CATE) from observational data is relevant for many applications such as personalized medicine. Here, we focus on the widespread setting where the observational data come from multiple environments, such as different hospitals, physicians, or countries. Furthermore, we allow for violations of standard causal assumptions, namely, overlap within the environments and unconfoundedness. To this end, we move away from point identification and focus on partial identification. Specifically, we show that current assumptions from the literature on multiple environments allow us to interpret the environment as an instrumental variable (IV). This allows us to adapt bounds from the IV literature for partial identification of CATE by leveraging treatment assignment mechanisms across environments. Then, we propose different model-agnostic learners (so-called meta-learners) to estimate the bounds that can be used in combination with arbitrary machine learning models. We further demonstrate the effectiveness of our meta-learners across various experiments using both simulated and real-world data. Finally, we discuss the applicability of our meta-learners to partial identification in instrumental variable settings, such as randomized controlled trials with non-compliance.
Principled Gradient-Based MCMC for Conditional Sampling of Text
Authors: Li Du; Afra Amini; Lucas Torroba Hennigen; Xinyan Velocity Yu; Holden Lee; Jason Eisner; Ryan Cotterell
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We consider the problem of sampling text from an energy-based model. This arises, for example, when sampling text from a neural language model subject to soft constraints. Although the target distribution is discrete, the internal computations of the energy function (given by the language model) are differentiable, so one would like to exploit gradient information within a method such as MCMC. Alas, all previous attempts to generalize gradient-based MCMC to text sampling fail to sample correctly from the target distribution. We propose a solution, along with variants, and study its theoretical properties. Through experiments on various forms of text generation, we demonstrate that our unbiased samplers are able to generate more fluent text while better adhering to the control objectives. The same methods could be used to sample from discrete energy-based models unrelated to text.
Maestro: Uncovering Low-Rank Structures via Trainable Decomposition
Authors: Samuel Horváth; Stefanos Laskaridis; Shashank Rajput; Hongyi Wang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Deep Neural Networks (DNNs) have been a large driver for AI breakthroughs in recent years, ranging from self-driving cars to intelligent assistants. However, these models have been getting increasingly large as they become more accurate and safe. This means that their training becomes increasingly costly and time-consuming, and typically yields a single model to fit all targets. To mitigate this, various techniques have been proposed in the literature, including pruning, sparsification or quantization of the model weights and updates. While achieving high compression rates, they often incur significant computational overheads at training or lead to non-negligible accuracy penalty. Alternatively, factorization methods have been leveraged for low-rank compression of DNNs. Similarly, such techniques (e.g., SVD) frequently rely on heavy iterative decompositions of layers and are potentially sub-optimal for non-linear models, such as DNNs. We take a further step in designing efficient low-rank models and propose Maestro, a framework for trainable low-rank layers. Instead of iteratively applying a priori decompositions, the low-rank structure is baked into the training process through LoD, a low-rank ordered decomposition. Not only is this the first time importance ordering via sampling is applied on the decomposed DNN structure, but it also allows selecting ranks at a layer granularity. Our theoretical analysis demonstrates that LoD recovers the SVD decomposition of linear mapping on uniformly distributed data and PCA for linear autoencoders. Applied to DNNs, Maestro enables the extraction of lower footprint models that preserve performance. Simultaneously, it enables the graceful tradeoff between accuracy-latency for deployment to even more constrained devices, without retraining.
Infinite-Horizon Distributionally Robust Regret-Optimal Control
Authors: Taylan Kargin; Joudi Hajar; Vikrant Malik; Babak Hassibi
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study the infinite-horizon distributionally robust (DR) control of linear systems with quadratic costs, where disturbances have unknown, possibly time-correlated distribution within a Wasserstein-2 ambiguity set. We aim to minimize the worst-case expected regret—the excess cost of a causal policy compared to a non-causal one with access to future disturbance. Though the optimal policy lacks a finite-order state-space realization (i.e., it is non-rational), it can be characterized by a finite-dimensional parameter. Leveraging this, we develop an efficient frequency-domain algorithm to compute this optimal control policy and present a convex optimization method to construct a near-optimal state-space controller that approximates the optimal non-rational controller in the $\mathit{H}_\infty$-norm. This approach avoids solving a computationally expensive semi-definite program (SDP) that scales with the time horizon in the finite-horizon setting.
Conformal Validity Guarantees Exist for Any Data Distribution (and How to Find Them)
Authors: Drew Prinster; Samuel Don Stanton; Anqi Liu; Suchi Saria
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: As artificial intelligence (AI) / machine learning (ML) gain widespread adoption, practitioners are increasingly seeking means to quantify and control the risk these systems incur. This challenge is especially salient when such systems have autonomy to collect their own data, such as in black-box optimization and active learning, where their actions induce sequential feedback-loop shifts in the data distribution. Conformal prediction is a promising approach to uncertainty and risk quantification, but prior variants' validity guarantees have assumed some form of ``quasi-exchangeability'' on the data distribution, thereby excluding many types of sequential shifts. In this paper we prove that conformal prediction can theoretically be extended to *any* joint data distribution, not just exchangeable or quasi-exchangeable ones. Although the most general case is exceedingly impractical to compute, for concrete practical applications we outline a procedure for deriving specific conformal algorithms for any data distribution, and we use this procedure to derive tractable algorithms for a series of AI/ML-agent-induced covariate shifts. We evaluate the proposed algorithms empirically on synthetic black-box optimization and active learning tasks.
StrWAEs to Invariant Representations
Authors: Hyunjong Lee; Yedarm Seong; Sungdong Lee; Joong-Ho Won
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Autoencoders have become an indispensable tool for generative modeling and representation learning in high dimensions. Imposing structural constraints such as conditional independence in order to capture invariance of latent variables to nuisance information has been attempted through adding *ad hoc* penalties to the loss function mostly in the variational autoencoder (VAE) context, often based on heuristics. This paper demonstrates that Wasserstein autoencoders (WAEs) are highly flexible in embracing such structural constraints. Well-known extensions of VAEs for this purpose are gracefully handled within the framework of WAEs. In particular, given a conditional independence structure of the generative model (decoder), corresponding encoder structure and penalties are derived from the functional constraints that define the WAE. These structural uses of WAEs, termed StrWAEs (“stairways”), open up a principled way of penalizing autoencoders to impose structural constraints. Utilizing these advantages, we present handful of results on semi-supervised classification, conditional generation, and invariant representation tasks.
Debiased Offline Representation Learning for Fast Online Adaptation in Non-stationary Dynamics
Authors: Xinyu Zhang; Wenjie Qiu; Yi-Chen Li; Lei Yuan; Chengxing Jia; Zongzhang Zhang; Yang Yu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Developing policies that can adapt to non-stationary environments is essential for real-world reinforcement learning applications. Nevertheless, learning such adaptable policies in offline settings, with only a limited set of pre-collected trajectories, presents significant challenges. A key difficulty arises because the limited offline data makes it hard for the context encoder to differentiate between changes in the environment dynamics and shifts in the behavior policy, often leading to context misassociations. To address this issue, we introduce a novel approach called debiased offline representation learning for fast online adaptation (DORA). DORA incorporates an information bottleneck principle that maximizes mutual information between the dynamics encoding and the environmental data, while minimizing mutual information between the dynamics encoding and the actions of the behavior policy. We present a practical implementation of DORA, leveraging tractable bounds of the information bottleneck principle. Our experimental evaluation across six benchmark MuJoCo tasks with variable parameters demonstrates that DORA not only achieves a more precise dynamics encoding but also significantly outperforms existing baselines in terms of performance.
Linguistic Calibration of Long-Form Generations
Authors: Neil Band; Xuechen Li; Tengyu Ma; Tatsunori Hashimoto
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Language models (LMs) may lead their users to make suboptimal downstream decisions when they confidently hallucinate. This issue can be mitigated by having the LM verbally convey the probability that its claims are correct, but existing models cannot produce long-form text with calibrated confidence statements. Through the lens of decision-making, we define linguistic calibration for long-form generations: an LM is linguistically calibrated if its generations enable its users to make calibrated probabilistic predictions. This definition enables a training framework where a supervised finetuning step bootstraps an LM to emit long-form generations with confidence statements such as "I estimate a 30% chance of..." or "I am certain that...", followed by a reinforcement learning step which rewards generations that enable a user to provide calibrated answers to related questions. We linguistically calibrate Llama 2 7B and find in automated and human evaluations of long-form generations that it is significantly more calibrated than strong finetuned factuality baselines with comparable accuracy. These findings generalize under significant domain shifts to scientific and biomedical questions and to an entirely held-out person biography generation task. Our results demonstrate that long-form generations may be calibrated end-to-end by constructing an objective in the space of the predictions that users make in downstream decision-making.
R2E: Turning any Github Repository into a Programming Agent Environment
Authors: Naman Jain; Manish Shetty; Tianjun Zhang; King Han; Koushik Sen; Ion Stoica
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: While Large Language Models’ (LLMs) coding capabilities have advanced rapidly, corresponding evaluation benchmarks on real-world programming setups are yet to catch up. Building a scalable and interactive testbed for evaluating general-purpose AI coding agents for real-world code has been challenging, particularly due to a lack of high-quality test suites available. In this paper, we present Repository to Environment (R2E), a framework that can turn any GitHub repository into a test environment to evaluate the performance of code-generating systems, both static and interactive. R2E is powered by a synergistic combination of program analysis and LLMs to construct equivalence test harnesses for any GitHub function. We instantiate our framework to build the first large-scale benchmark, R2E-Eval1, for building realistic environments for AI coding assistants. Our results demonstrate that even when SOTA models cannot generate correct solutions with advanced prompting techniques, they can effectively use environment feedback highlighting the need to move from static functional coding to interactive programming paradigm. We hope that our framework (and the instantiated benchmark) can motivate research directions by providing web-scale open-ended coding environments. R2E code is available at https://r2e.dev/