ICML 2023 论文列表

Training normalizing flow generative models can be challenging due to the need to calculate computationally expensive determinants of Jacobians. This paper studies the likelihood-free training of flows and proposes the energy objective, an alternative sample-based loss based on proper scoring rules. The energy objective is determinant-free and supports flexible model architectures that are not easily compatible with maximum likelihood training, including semi-autoregressive energy flows, a novel model family that interpolates between fully autoregressive and non-autoregressive models. Energy flows feature competitive sample quality, posterior inference, and generation speed relative to likelihood-based flows; this performance is decorrelated from the quality of log-likelihood estimates, which are generally very poor. Our findings question the use of maximum likelihood as an objective or a metric, and contribute to a scientific study of its role in generative modeling. Code is available at https://github.com/ps789/SAEF.

With the success of large language models (LLMs) of code and their use as code assistants (e.g. Codex used in GitHub Copilot), techniques for introducing domain-specific knowledge in the prompt design process become important. In this work, we propose a framework called Repo-Level Prompt Generator that learns to generate example-specific prompts using prompt proposals. The prompt proposals take context from the entire repository, thereby incorporating both the structure of the repository and the context from other relevant files (e.g. imports, parent class files). Our technique doesn't require any access to the weights of the LLM, making it applicable in cases where we only have black-box access to the LLM. We conduct experiments on the task of single-line code auto-completion using code repositories taken from Google Code archives. We demonstrate that an oracle constructed from our prompt proposals gives a relative improvement of 36% over Codex, showing the quality of these proposals. Further, we show that when we train a model to predict a prompt proposal, we can achieve significant performance gains over Codex and other baselines. We release our code, data, and trained checkpoints at: https://github.com/shrivastavadisha/repo_level_prompt_generation.

The high computational and memory requirements of large language model (LLM) inference make it feasible only with multiple high-end accelerators. Motivated by the emerging demand for latency-insensitive tasks with batched processing, this paper initiates the study of high-throughput LLM inference using limited resources, such as a single commodity GPU. We present FlexGen, a high-throughput generation engine for running LLMs with limited GPU memory. FlexGen can be flexibly configured under various hardware resource constraints by aggregating memory and computation from the GPU, CPU, and disk. By solving a linear programming problem, it searches for efficient patterns to store and access tensors. FlexGen further compresses the weights and the attention cache to 4 bits with negligible accuracy loss. These techniques enable FlexGen to have a larger space of batch size choices and thus significantly increase maximum throughput. As a result, when running OPT-175B on a single 16GB GPU, FlexGen achieves significantly higher throughput compared to state-of-the-art offloading systems, reaching a generation throughput of 1 token/s for the first time with an effective batch size of 144. On the HELM benchmark, FlexGen can benchmark a 30B model with a 16GB GPU on 7 representative sub-scenarios in 21 hours. The code is available at https://github.com/FMInference/FlexGen.

Designing biological sequences is an important challenge that requires satisfying complex constraints and thus is a natural problem to address with deep generative modeling. Diffusion generative models have achieved considerable success in many applications. Score-based generative stochastic differential equations (SDE) model is a continuous-time diffusion model framework that enjoys many benefits, but the originally proposed SDEs are not naturally designed for modeling discrete data. To develop generative SDE models for discrete data such as biological sequences, here we introduce a diffusion process defined in the probability simplex space with stationary distribution being the Dirichlet distribution. This makes diffusion in continuous space natural for modeling discrete data. We refer to this approach as Dirchlet diffusion score model. We demonstrate that this technique can generate samples that satisfy hard constraints using a Sudoku generation task. This generative model can also solve Sudoku, including hard puzzles, without additional training. Finally, we applied this approach to develop the first human promoter DNA sequence design model and showed that designed sequences share similar properties with natural promoter sequences.

Large language models (LLMs) have demonstrated an impressive ability to perform arithmetic and symbolic reasoning tasks, when provided with a few examples at test time ("few-shot prompting"). Much of this success can be attributed to prompting methods such as "chain-of-thought", which employ LLMs for both understanding the problem description by decomposing it into steps, as well as solving each step of the problem. While LLMs seem to be adept at this sort of step-by-step decomposition, LLMs often make logical and arithmetic mistakes in the solution part, even when the problem is decomposed correctly. In this paper, we present Program-Aided Language models (PAL): a novel approach that uses the LLM to read natural language problems and generate programs as the intermediate reasoning steps, but offloads the solution step to a runtime such as a Python interpreter. With PAL, decomposing the natural language problem into runnable steps remains the only learning task for the LLM, while solving is delegated to the interpreter. We demonstrate this synergy between a neural LLM and a symbolic interpreter across 13 mathematical, symbolic, and algorithmic reasoning tasks from BIG-Bench Hard and others. In all these natural language reasoning tasks, generating code using an LLM and reasoning using a Python interpreter leads to more accurate results than much larger models. For example, PAL using Codex achieves state-of-the-art few-shot accuracy on GSM8K, surpassing PaLM which uses chain-of-thought by absolute 15% top-1.

The advent of large language models trained on code (code LLMs) has led to significant progress in language-to-code generation. State-of-the-art approaches in this area combine LLM decoding with sample pruning and reranking using test cases or heuristics based on the execution results. However, it is challenging to obtain test cases for many real-world language-to-code applications, and heuristics cannot well capture the semantic features of the execution results, such as data type and value range, which often indicates the correctness of the program. In this work, we propose LEVER, a simple approach to improve language-to-code generation by learning to verify the generated programs with their execution results. Specifically, we train verifiers to determine whether a program sampled from the LLMs is correct or not based on the natural language input, the program itself and its execution results. The sampled programs are reranked by combining the verification score with the LLM generation probability, and marginalizing over programs with the same execution results. On four datasets across the domains of table QA, math QA and basic Python programming, LEVER consistently improves over the base code LLMs (4.6% to 10.9% with code-davinci-002) and achieves new state-of-the-art results on all of them.

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are better (e.g., more stable) than existing sequences. Thus, by definition the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE outperforms state-of-the-art approaches despite its simplicity.

Slot attention has shown remarkable object-centric representation learning performance in computer vision tasks without requiring any supervision. Despite its object-centric binding ability brought by compositional modelling, as a deterministic module, slot attention lacks the ability to generate novel scenes. In this paper, we propose the Slot-VAE, a generative model that integrates slot attention with the hierarchical VAE framework for object-centric structured scene generation. For each image, the model simultaneously infers a global scene representation to capture high-level scene structure and object-centric slot representations to embed individual object components. During generation, slot representations are generated from the global scene representation to ensure coherent scene structures. Our extensive evaluation of the scene generation ability indicates that Slot-VAE outperforms slot representation-based generative baselines in terms of sample quality and scene structure accuracy.

This paper presents a novel generative model for Computer Aided Design (CAD) that 1) represents high-level design concepts of a CAD model as a three-level hierarchical tree of neural codes, from global part arrangement down to local curve geometry; and 2) controls the generation or completion of CAD models by specifying the target design using a code tree. Concretely, a novel variant of a vector quantized VAE with "masked skip connection" extracts design variations as neural codebooks at three levels. Two-stage cascaded auto-regressive transformers learn to generate code trees from incomplete CAD models and then complete CAD models following the intended design. Extensive experiments demonstrate superior performance on conventional tasks such as unconditional generation while enabling novel interaction capabilities on conditional generation tasks. The code is available at https://github.com/samxuxiang/hnc-cad.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting.