GenAI4ELab/papercli-papers huggingface dataset:
DSPy: Compiling Declarative Language Model Calls into State-of-the-Art Pipelines
Authors: Omar Khattab; Arnav Singhvi; Paridhi Maheshwari; Zhiyuan Zhang; Keshav Santhanam; Sri Vardhamanan A; Saiful Haq; Ashutosh Sharma; Thomas T. Joshi; Hanna Moazam; Heather Miller; Matei Zaharia; Christopher Potts
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: The ML community is rapidly exploring techniques for prompting language models (LMs) and for stacking them into pipelines that solve complex tasks. Unfortunately, existing LM pipelines are typically implemented using hard-coded “prompt templates”, i.e. lengthy strings discovered via trial and error. Toward a more systematic approach for developing and optimizing LM pipelines, we introduce DSPy, a programming model that abstracts LM pipelines as text transformation graphs, or imperative computational graphs where LMs are invoked through declarative modules. DSPy modules are parameterized, meaning they can learn how to apply compositions of prompting, finetuning, augmentation, and reasoning techniques. We design a compiler that will optimize any DSPy pipeline to maximize a given metric, by creating and collecting demonstrations. We conduct two case studies, showing that succinct DSPy programs can express and optimize pipelines that reason about math word problems, tackle multi-hop retrieval, answer complex questions, and control agent loops. Within minutes of compiling, DSPy can automatically produce pipelines that outperform out-of-the-box few-shot prompting as well as expert-created demonstrations for GPT-3.5 and Llama2-13b-chat. On top of that, DSPy programs compiled for relatively small LMs like 770M parameter T5 and Llama2-13b-chat are competitive with many approaches that rely on large and proprietary LMs like GPT-3.5 and on expert-written prompt chains. DSPy is available at https://github.com/stanfordnlp/dspy
Impact of Computation in Integral Reinforcement Learning for Continuous-Time Control
Authors: Wenhan Cao; Wei Pan
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: Integral reinforcement learning (IntRL) demands the precise computation of the utility function's integral at its policy evaluation (PEV) stage. This is achieved through quadrature rules, which are weighted sums of utility functions evaluated from state samples obtained in discrete time. Our research reveals a critical yet underexplored phenomenon: the choice of the computational method -- in this case, the quadrature rule -- can significantly impact control performance. This impact is traced back to the fact that computational errors introduced in the PEV stage can affect the policy iteration's convergence behavior, which in turn affects the learned controller. To elucidate how computation impacts control, we draw a parallel between IntRL's policy iteration and Newton's method applied to the Hamilton-Jacobi-Bellman equation. In this light, computational error in PEV manifests as an extra error term in each iteration of Newton's method, with its upper bound proportional to the computational error. Further, we demonstrate that when the utility function resides in a reproducing kernel Hilbert space (RKHS), the optimal quadrature is achievable by employing Bayesian quadrature with the RKHS-inducing kernel function. We prove that the local convergence rates for IntRL using the trapezoidal rule and Bayesian quadrature with a Matérn kernel to be $O(N^{-2})$ and $O(N^{-b})$, where $N$ is the number of evenly-spaced samples and $b$ is the Matérn kernel's smoothness parameter. These theoretical findings are finally validated by two canonical control tasks.
Prioritized Soft Q-Decomposition for Lexicographic Reinforcement Learning
Authors: Finn Rietz; Erik Schaffernicht; Stefan Heinrich; Johannes A. Stork
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Reinforcement learning (RL) for complex tasks remains a challenge, primarily due to the difficulties of engineering scalar reward functions and the inherent inefficiency of training models from scratch. Instead, it would be better to specify complex tasks in terms of elementary subtasks and to reuse subtask solutions whenever possible. In this work, we address continuous space lexicographic multi-objective RL problems, consisting of prioritized subtasks, which are notoriously difficult to solve. We show that these can be scalarized with a subtask transformation and then solved incrementally using value decomposition. Exploiting this insight, we propose prioritized soft Q-decomposition (PSQD), a novel algorithm for learning and adapting subtask solutions under lexicographic priorities in continuous state-action spaces. PSQD offers the ability to reuse previously learned subtask solutions in a zero-shot composition, followed by an adaptation step. Its ability to use retained subtask training data for offline learning eliminates the need for new environment interaction during adaptation. We demonstrate the efficacy of our approach by presenting successful learning, reuse, and adaptation results for both low- and high-dimensional simulated robot control tasks, as well as offline learning results. In contrast to baseline approaches, PSQD does not trade off between conflicting subtasks or priority constraints and satisfies subtask priorities during learning. PSQD provides an intuitive framework for tackling complex RL problems, offering insights into the inner workings of the subtask composition.
Energy-guided Entropic Neural Optimal Transport
Authors: Petr Mokrov; Alexander Korotin; Alexander Kolesov; Nikita Gushchin; Evgeny Burnaev
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ $512\times512$ unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT
Zipformer: A faster and better encoder for automatic speech recognition
Authors: Zengwei Yao; Liyong Guo; Xiaoyu Yang; Wei Kang; Fangjun Kuang; Yifan Yang; Zengrui Jin; Long Lin; Daniel Povey
Venue: ICLR 2024 (ICLR 2024 oral)

Abstract: The Conformer has become the most popular encoder model for automatic speech recognition (ASR).  It adds convolution modules to a transformer to learn both local and global dependencies. In this work we describe a faster, more memory-efficient, and better-performing transformer, called Zipformer.  Modeling changes include: 1) a U-Net-like encoder structure where middle stacks operate at lower frame rates; 2) reorganized block structure with more modules, within which we re-use attention weights for efficiency; 3) a modified form of LayerNorm called BiasNorm allows us to retain some length information; 4)  new activation functions SwooshR and SwooshL work better than Swish.  We also propose a new optimizer, called ScaledAdam, which scales the update by each tensor's current scale to keep the relative change about the same, and also explictly learns the parameter scale. It achieves faster converge and better performance than Adam. Extensive experiments on LibriSpeech, Aishell-1, and WenetSpeech datasets demonstrate the effectiveness of our proposed Zipformer over other state-of-the-art ASR models. Our code is publicly available at https://github.com/k2-fsa/icefall.
Learning Semantic Proxies from Visual Prompts for Parameter-Efficient Fine-Tuning in Deep Metric Learning
Authors: Li Ren; Chen Chen; Liqiang Wang; Kien A. Hua
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Deep Metric Learning (DML) has long attracted the attention of the machine learning community as a key objective. Existing solutions concentrate on fine-tuning the pre-trained models on conventional image datasets. As a result of the success of recent pre-trained models derived from larger-scale datasets, it is challenging to adapt the model to the DML tasks in the local data domain while retaining the previously gained knowledge. In this paper, we investigate parameter-efficient methods for fine-tuning the pre-trained model for DML tasks. In particular, we propose a novel and effective framework based on learning Visual Prompts (VPT) in the pre-trained Vision Transformers (ViT). Based on the conventional proxy-based DML paradigm, we augment the proxy by incorporating the semantic information from the input image and the ViT, in which we optimize the visual prompts for each class. We demonstrate that our new approximations with semantic information are superior to representative capabilities, thereby improving metric learning performance. We conduct extensive experiments to demonstrate that our proposed framework is superior and efficient by evaluating popular DML benchmarks. In particular, we demonstrate that our fine-tuning method achieves comparable or even better performance than recent state-of-the-art full fine-tuning works of DML while tuning only a small percentage of total parameters.
Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
Authors: Nate Gruver; Anuroop Sriram; Andrea Madotto; Andrew Gordon Wilson; C. Lawrence Zitnick; Zachary Ward Ulissi
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90\% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned  LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49\% vs 28\%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.
TextField3D: Towards Enhancing Open-Vocabulary 3D Generation with Noisy Text Fields
Authors: Tianyu Huang; Yihan Zeng; Bowen Dong; Hang Xu; Songcen Xu; Rynson W. H. Lau; Wangmeng Zuo
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Recent works learn 3D representation explicitly under text-3D guidance. However, limited text-3D data restricts the vocabulary scale and text control of generations. Generators may easily fall into a stereotype concept for certain text prompts, thus losing open-vocabulary generation ability. To tackle this issue, we introduce a conditional 3D generative model, namely TextField3D. Specifically, rather than using the text prompts as input directly, we suggest to inject dynamic noise into the latent space of given text prompts, i.e., Noisy Text Fields (NTFs). In this way, limited 3D data can be mapped to the appropriate range of textual latent space that is expanded by NTFs. To this end, an NTFGen module is proposed to model general text latent code in noisy fields. Meanwhile, an NTFBind module is proposed to align view-invariant image latent code to noisy fields, further supporting image-conditional 3D generation. To guide the conditional generation in both geometry and texture, multi-modal discrimination is constructed with a text-3D discriminator and a text-2.5D discriminator. Compared to previous methods, TextField3D includes three merits: 1) large vocabulary, 2) text consistency, and 3) low latency. Extensive experiments demonstrate that our method achieves a potential open-vocabulary 3D generation capability.
Masks, Signs, And Learning Rate Rewinding
Authors: Advait Harshal Gadhikar; Rebekka Burkholz
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: Learning Rate Rewinding (LRR) has been established as a strong variant of Iterative Magnitude Pruning (IMP) to find lottery tickets in deep overparameterized neural networks. While both iterative pruning schemes couple structure and parameter learning, understanding how LRR excels in both aspects can bring us closer to the design of more flexible deep learning algorithms that can optimize diverse sets of sparse architectures. To this end, we conduct experiments that disentangle the effect of mask learning and parameter optimization and how both benefit from overparameterization. The ability of LRR to flip parameter signs early and stay robust to sign perturbations seems to make it not only more effective in mask identification but also in optimizing  diverse sets of masks, including random ones. In support of this hypothesis, we prove in a simplified single hidden neuron setting that LRR succeeds in more cases than IMP, as it can escape initially problematic sign configurations.
GlucoBench: Curated List of Continuous Glucose Monitoring Datasets with Prediction Benchmarks
Authors: Renat Sergazinov; Elizabeth Chun; Valeriya Rogovchenko; Nathaniel J Fernandes; Nicholas Kasman; Irina Gaynanova
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The rising rates of diabetes necessitate innovative methods for its management. Continuous glucose monitors (CGM) are small medical devices that measure blood glucose levels at regular intervals providing insights into daily patterns of glucose variation. Forecasting of glucose trajectories based on CGM data  holds the potential to substantially improve diabetes management, by both refining artificial pancreas systems and enabling individuals to make adjustments based on  predictions to maintain optimal glycemic range. Despite numerous methods proposed for CGM-based glucose trajectory prediction, these methods are typically evaluated on small, private datasets, impeding reproducibility, further research, and practical adoption. The absence of standardized prediction tasks and systematic comparisons between methods has led to uncoordinated research efforts, obstructing the identification of optimal tools for tackling specific challenges. As a result, only a limited number of prediction methods have been implemented in clinical practice.  

To address these challenges, we present a comprehensive resource that provides (1) a consolidated repository of curated publicly available CGM datasets to foster reproducibility and accessibility; (2) a standardized task list to unify research objectives and facilitate coordinated efforts; (3) a set of benchmark models with established baseline performance, enabling the research community to objectively gauge new methods' efficacy; and (4) a detailed analysis of performance-influencing factors for model development. We anticipate these resources to propel collaborative research endeavors in the critical domain of CGM-based glucose predictions. Our code is available online at github.com/IrinaStatsLab/GlucoBench.
Quantifying and Enhancing Multi-modal Robustness with Modality Preference
Authors: Zequn Yang; Yake Wei; Ce Liang; Di Hu
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Multi-modal models have shown a promising capability to effectively integrate information from various sources, yet meanwhile, they are found vulnerable to pervasive perturbations, such as uni-modal attacks and missing conditions. To counter these perturbations, robust multi-modal representations are highly expected, which are positioned well away from the discriminative multi-modal decision boundary. In this paper, different from conventional empirical studies, we focus on a commonly used joint multi-modal framework and theoretically discover that larger uni-modal representation margins and more reliable integration for modalities are essential components for achieving higher robustness. This discovery can further explain the limitation of multi-modal robustness and the phenomenon that multi-modal models are often vulnerable to attacks on the specific modality. Moreover, our analysis reveals how the widespread issue, that the model has different preferences for modalities, limits the multi-modal robustness by influencing the essential components and could lead to attacks on the specific modality highly effective. Inspired by our theoretical finding, we introduce a training procedure called Certifiable Robust Multi-modal Training (CRMT), which can alleviate this influence from modality preference and explicitly regulate essential components to significantly improve robustness in a certifiable manner. Our method demonstrates substantial improvements in performance and robustness compared with existing methods. Furthermore, our training procedure can be easily extended to enhance other robust training strategies, highlighting its credibility and flexibility.
Advancing the Lower Bounds: an Accelerated, Stochastic, Second-order Method with Optimal Adaptation to Inexactness
Authors: Artem Agafonov; Dmitry Kamzolov; Alexander Gasnikov; Ali Kavis; Kimon Antonakopoulos; Volkan Cevher; Martin Takáč
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We present a new accelerated stochastic second-order method that is robust to both gradient and Hessian inexactness, typical in machine learning. We establish theoretical lower bounds and prove that our algorithm achieves optimal convergence in both gradient and Hessian inexactness in this key setting. We further introduce a tensor generalization for stochastic higher-order derivatives. When the oracles are non-stochastic, the proposed tensor algorithm matches the global convergence of Nesterov Accelerated Tensor method. Both algorithms allow for approximate solutions of their auxiliary subproblems with verifiable conditions on the accuracy of the solution.
Distinguished In Uniform: Self-Attention Vs. Virtual Nodes
Authors: Eran Rosenbluth; Jan Tönshoff; Martin Ritzert; Berke Kisin; Martin Grohe
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Graph Transformers (GTs) such as SAN and GPS are graph processing models that combine Message-Passing GNNs (MPGNNs) with global Self-Attention. They were shown to be universal function approximators, with two reservations: 1. The initial node features must be augmented with certain positional encodings. 2. The approximation is non-uniform: Graphs of different sizes may require a different approximating network.

We first clarify that this form of universality is not unique to GTs: Using the same positional encodings, also pure MPGNNs and even 2-layer MLPs are non-uniform universal approximators. We then consider uniform expressivity: The target function is to be approximated by a single network for graphs of all sizes. There, we compare GTs to the more efficient MPGNN + Virtual Node architecture. The essential difference between the two model definitions is in their global computation method: Self-Attention Vs Virtual Node. We prove that none of the models is a uniform-universal approximator, before proving our main result: Neither model’s uniform expressivity subsumes the other’s. We demonstrate the theory with experiments on synthetic data. We further augment our study with real-world datasets, observing mixed results which indicate no clear ranking in practice as well.
Faster Approximation of Probabilistic and Distributional Values via Least Squares
Authors: Weida Li; Yaoliang Yu
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The family of probabilistic values, axiomatically-grounded in cooperative game theory, has recently received much attention in data valuation. However, it is often computationally expensive to compute exactly (exponential w.r.t. the number of data to valuate denoted by $n$). The existing generic estimator costs $O(n^2\log n)$ utility evaluations to achieve an $(\epsilon,\delta)$-approximation under the 2-norm, while faster estimators have been developed recently for special cases (e.g., empirically for the Shapley value and theoretically for the Banzhaf value). In this work, starting from the discovered connection between probabilistic values and least square regressions, we propose a Generic Estimator based on Least Squares (GELS) along with its variants that cost $O(n\log n)$ utility evaluations for many probabilistic values, largely extending the scope of this currently best complexity bound. Moreover, we show that each distributional value, proposed by Ghorbani et al. (2020) to alleviate the inconsistency of probabilistic values induced by using distinct databases, can also be cast as optimizing a similar least square regression. This observation leads to a theoretically-grounded framework TrELS (Training Estimators based on Least Squares) that can train estimators towards the specified distributional values without requiring any supervised signals. Particularly, the trained estimators are capable of predicting the corresponding distributional values for unseen data, largely saving the budgets required for running Monte-Carlo methods otherwise. Our experiments verify the faster convergence of GELS, and demonstrate the effectiveness of TrELS in learning distributional values. Our code is available at https://github.com/watml/fastpvalue.
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction
Authors: Ziyang Yu; Wenbing Huang; Yang Liu
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods, and outperforms state-of-the-art learning-based methods, like DiffDock-PP and Alphafold-Multimer, for particularly antibody-antigen docking.