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Deep Learning · Everything Else

Ivan Lee, Nan Jiang, Taylor Berg-Kirkpatrick

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps toward answering this question. We evaluate thirteen model architectures capable of causal language modeling across a suite of synthetic in-context learning tasks. These selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, state space model inspired, and other emerging attention alternatives. We discover that all the considered architectures can perform in-context learning under a wider range of conditions than previously documented. Additionally, we observe stark differences in statistical efficiency and consistency by varying the number of in-context examples and task difficulty. We also measure each architecture's predisposition towards in-context learning when presented with the option to memorize rather than leverage in-context examples. Finally, and somewhat surprisingly, we find that several attention alternatives are sometimes competitive with or better in-context learners than transformers. However, no single architecture demonstrates consistency across all tasks, with performance either plateauing or declining when confronted with a significantly larger number of in-context examples than those encountered during gradient-based training.

Deep Learning · Attention Mechanisms

Takeru Miyato, Bernhard Jaeger, Max Welling, Andreas Geiger

As transformers are equivariant to the permutation of input tokens, encoding the positional information of tokens is necessary for many tasks. However, since existing positional encoding schemes have been initially designed for NLP tasks, their suitability for vision tasks, which typically exhibit different structural properties in their data, is questionable. We argue that existing positional encoding schemes are suboptimal for 3D vision tasks, as they do not respect their underlying 3D geometric structure. Based on this hypothesis, we propose a geometry-aware attention mechanism that encodes the geometric structure of tokens as relative transformation determined by the geometric relationship between queries and key-value pairs. By evaluating on multiple novel view synthesis (NVS) datasets in the sparse wide-baseline multi-view setting, we show that our attention, called Geometric Transform Attention (GTA), improves learning efficiency and performance of state-of-the-art transformer-based NVS models without any additional learned parameters and only minor computational overhead.

Deep Learning · Large Language Models

Matthew Finlayson, John Hewitt, Alexander Koller, Swabha Swayamdipta, Ashish Sabharwal

Despite their ubiquity in language generation, it remains unknown why truncation sampling heuristics like nucleus sampling are so effective. We provide a theoretical explanation for the effectiveness of the truncation sampling by proving that truncation methods that discard tokens below some probability threshold (the most common type of truncation) can guarantee that all sampled tokens have nonzero true probability. However, thresholds are a coarse heuristic, and necessarily discard some tokens with nonzero true probability as well. In pursuit of a more precise sampling strategy, we show that we can leverage a known source of model errors, the softmax bottleneck, to prove that certain tokens have nonzero true probability, without relying on a threshold. Based on our findings, we develop an experimental truncation strategy and the present pilot studies demonstrating the promise of this type of algorithm. Our evaluations show that our method outperforms its threshold-based counterparts under automatic and human evaluation metrics for low-entropy (i.e., close to greedy) open-ended text generation. Our theoretical findings and pilot experiments provide both insight into why truncation sampling works, and make progress toward more expressive sampling algorithms that better surface the generative capabilities of large language models.

Gautam Reddy Nallamala

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence, which contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

Deep Learning · Generative Models and Autoencoders

Yonatan Shafir, Guy Tevet, Roy Kapon, Amit Bermano

Recent work has demonstrated the significant potential of denoising diffusion modelsfor generating human motion, including text-to-motion capabilities.However, these methods are restricted by the paucity of annotated motion data,a focus on single-person motions, and a lack of detailed control.In this paper, we introduce three forms of composition based on diffusion priors:sequential, parallel, and model composition.Using sequential composition, we tackle the challenge of long sequencegeneration. We introduce DoubleTake, an inference-time method with whichwe generate long animations consisting of sequences of prompted intervalsand their transitions, using a prior trained only for short clips.Using parallel composition, we show promising steps toward two-person generation.Beginning with two fixed priors as well as a few two-person training examples, we learn a slimcommunication block, ComMDM, to coordinate interaction between the two resulting motions.Lastly, using model composition, we first train individual priorsto complete motions that realize a prescribed motion for a given joint.We then introduce DiffusionBlending, an interpolation mechanism to effectively blend severalsuch models to enable flexible and efficient fine-grained joint and trajectory-level control and editing.We evaluate the composition methods using an off-the-shelf motion diffusion model,and further compare the results to dedicated models trained for these specific tasks.

Applications · Robotics

Byeonghwi Kim, Minhyuk Seo, Jonghyun Choi

In learning an embodied agent executing daily tasks via language directives, the literature largely assumes that the agent learns all training data at the beginning. We argue that such a learning scenario is less realistic, since a robotic agent is supposed to learn the world continuously as it explores and perceives it. To take a step towards a more realistic embodied agent learning scenario, we propose two continual learning setups for embodied agents; learning new behaviors (Behavior Incremental Learning, Behavior-IL) and new environments (Environment Incremental Learning, Environment-IL) For the tasks, previous ‘data prior’ based continual learning methods maintain logits for the past tasks. However, the stored information is often insufficiently learned information and requires task boundary information, which might not always be available. Here, we propose to update them based on confidence scores without task boundary information (i.e., task-free) in a moving average fashion, named Confidence-Aware Moving Average (CAMA). In the proposed challenging Behavior-IL and Environment-IL setups, our simple CAMA outperforms prior arts in our empirical validations by noticeable margins.

Applications · Chemistry and Drug Discovery

Chenyu Wang, Sharut Gupta, Caroline Uhler, Tommi Jaakkola

High-throughput drug screening -- using cell imaging or gene expression measurements as readouts of drug effect -- is a critical tool in biotechnology to assess and understand the relationship between the chemical structure and biological activity of a drug. Since large-scale screens have to be divided into multiple experiments, a key difficulty is dealing with batch effects, which can introduce systematic errors and non-biological associations in the data. We propose InfoCORE, an Information maximization approach for COnfounder REmoval, to effectively deal with batch effects and obtain refined molecular representations. InfoCORE establishes a variational lower bound on the conditional mutual information of the latent representations given a batch identifier. It adaptively reweights samples to equalize their implied batch distribution. Extensive experiments on drug screening data reveal InfoCORE's superior performance in a multitude of tasks including molecular property prediction and molecule-phenotype retrieval. Additionally, we show results for how InfoCORE offers a versatile framework and resolves general distribution shifts and issues of data fairness by minimizing correlation with spurious features or removing sensitive attributes.

Deep Learning · Large Language Models

Yuying Ge, Sijie Zhao, Ziyun Zeng, Yixiao Ge, Chen Li, Xintao Wang, Ying Shan

The great success of Large Language Models (LLMs) has expanded the potential of multimodality, contributing to the gradual evolution of General Artificial Intelligence (AGI). A true AGI agent should not only possess the capability to perform predefined multi-tasks but also exhibit emergent abilities in an open-world context. However, despite the considerable advancements made by recent multimodal LLMs, they still fall short in effectively unifying comprehension and generation tasks, let alone open-world emergent abilities. We contend that the key to overcoming the present impasse lies in enabling text and images to be represented and processed interchangeably within a unified autoregressive Transformer. To this end, we introduce $\textbf{SEED}$, an elaborate image tokenizer that empowers LLMs with the ability to $\textbf{SEE}$ and $\textbf{D}$raw at the same time. We identify two crucial design principles: (1) Image tokens should be independent of 2D physical patch positions and instead be produced with a $\textit{1D causal dependency}$, exhibiting intrinsic interdependence that aligns with the left-to-right autoregressive prediction mechanism in LLMs. (2) Image tokens should capture $\textit{high-level semantics}$ consistent with the degree of semantic abstraction in words, and be optimized for both discriminativeness and reconstruction during the tokenizer training phase. With SEED tokens, LLM is able to perform scalable multimodal autoregression under its original training recipe, i.e., next-word prediction. SEED-LLaMA is therefore produced by large-scale pretraining and instruction tuning on the interleaved textual and visual data, demonstrating impressive performance on a broad range of multimodal comprehension and generation tasks. More importantly, SEED-LLaMA has exhibited compositional emergent abilities such as multi-turn in-context multimodal generation, acting like your AI assistant. The code (training and inference) and models are released in https://github.com/AILab-CVC/SEED.

Deep Learning · Other Representation Learning

Bang An, Sicheng Zhu, Michael-Andrei Panaitescu-Liess, Chaithanya Kumar Mummadi, Furong Huang

Vision-language models like CLIP are widely used in zero-shot image classification due to their ability to understand various visual concepts and natural language descriptions. However, how to fully leverage CLIP's unprecedented human-like understanding capabilities to achieve better performance is still an open question. This paper draws inspiration from the human visual perception process: when classifying an object, humans first infer contextual attributes (e.g., background and orientation) which help separate the foreground object from the background, and then classify the object based on this information. Inspired by it, we observe that providing CLIP with contextual attributes improves zero-shot image classification and mitigates reliance on spurious features. We also observe that CLIP itself can reasonably infer the attributes from an image. With these observations, we propose a training-free, two-step zero-shot classification method PerceptionCLIP. Given an image, it first infers contextual attributes (e.g., background) and then performs object classification conditioning on them. Our experiments show that PerceptionCLIP achieves better generalization, group robustness, and interpretability.

Applications · Computer Vision

Tianhao Wu, Chuanxia Zheng, Tat-Jen Cham

Generating complete 360\textdegree{} panoramas from narrow field of view images is ongoing research as omnidirectional RGB data is not readily available. Existing GAN-based approaches face some barriers to achieving higher quality output, and have poor generalization performance over different mask types. In this paper, we present our 360\textdegree{} indoor RGB panorama outpainting model using latent diffusion models (LDM), called PanoDiffusion. We introduce a new bi-modal latent diffusion structure that utilizes both RGB and depth panoramic data during training, which works surprisingly well to outpaint depth-free RGB images during inference. We further propose a novel technique of introducing progressive camera rotations during each diffusion denoising step, which leads to substantial improvement in achieving panorama wraparound consistency. Results show that our PanoDiffusion not only significantly outperforms state-of-the-art methods on RGB panorama outpainting by producing diverse well-structured results for different types of masks, but can also synthesize high-quality depth panoramas to provide realistic 3D indoor models.

Reinforcement Learning · Everything Else

Qiang HE, Tianyi Zhou, Meng Fang, Setareh Maghsudi

Representation rank is an important concept for understanding the role of Neural Networks (NNs) in Deep Reinforcement learning (DRL), which measures the expressive capacity of value networks. Existing studies focus on unboundedly maximizing this rank; nevertheless, that approach would introduce overly complex models in the learning, thus undermining performance. Hence, fine-tuning representation rank presents a challenging and crucial optimization problem. To address this issue, we find a guiding principle for adaptive control of the representation rank. We employ the Bellman equation as a theoretical foundation and derive an upper bound on the cosine similarity of consecutive state-action pairs representations of value networks. We then leverage this upper bound to propose a novel regularizer, namely BEllman Equation-based automatic rank Regularizer (BEER). This regularizer adaptively regularizes the representation rank, thus improving the DRL agent's performance. We first validate the effectiveness of automatic control of rank on illustrative experiments. Then, we scale up BEER to complex continuous control tasks by combining it with the deterministic policy gradient method. Among 12 challenging DeepMind control tasks, BEER outperforms the baselines by a large margin. Besides, BEER demonstrates significant advantages in Q-value approximation. Our code is available at https://github.com/sweetice/BEER-ICLR2024.

Applications · Chemistry and Drug Discovery

Dominique Beaini, Shenyang(Andy) Huang, Joao Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, Samuel Maddrell-Mander, Callum McLean, Frederik Wenkel, Luis Müller 等

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks. The Graphium library is publicly available on Github and the dataset links are available in Part 1 and Part 2.

Applications · Genetics, Cell Biology, etc

Zhihan Zhou, Yanrong Ji, Weijian Li, Pratik Dutta, Ramana Davuluri, Han Liu

Decoding the linguistic intricacies of the genome is a crucial problem in biology, and pre-trained foundational models such as DNABERT and Nucleotide Transformer have made significant strides in this area. Existing works have largely hinged on k-mer, fixed-length permutations of A, T, C, and G, as the token of the genome language due to its simplicity. However, we argue that the computation and sample inefficiencies introduced by k-mer tokenization are primary obstacles in developing large genome foundational models. We provide conceptual and empirical insights into genome tokenization, building on which we propose to replace k-mer tokenization with Byte Pair Encoding (BPE), a statistics-based data compression algorithm that constructs tokens by iteratively merging the most frequent co-occurring genome segment in the corpus. We demonstrate that BPE not only overcomes the limitations of k-mer tokenization but also benefits from the computational efficiency of non-overlapping tokenization.Based on these insights, we introduce DNABERT-2, a refined genome foundation model that adapts an efficient tokenizer and employs multiple strategies to overcome input length constraints, reduce time and memory expenditure, and enhance model capability. Furthermore, we identify the absence of a comprehensive and standardized benchmark for genome understanding as another significant impediment to fair comparative analysis. In response, we propose the Genome Understanding Evaluation (GUE), a comprehensive multi-species genome classification dataset that amalgamates $36$ distinct datasets across $9$ tasks, with input lengths ranging from $70$ to $10000$. Through comprehensive experiments on the GUE benchmark, we demonstrate that DNABERT-2 achieves comparable performance to the state-of-the-art model with $21 \times$ fewer parameters and approximately $92 \times$ less GPU time in pre-training. Compared to DNABERT, while being $3 \times$ more efficient, DNABERT-2 outperforms it on $23$ out of $28$ datasets, with an average improvement of $6$ absolute scores on GUE.The code, data, and pre-trained model are available at \url{https://github.com/MAGICS-LAB/DNABERT_2}.

Deep Learning · Generative Models and Autoencoders

Huangjie Zheng, Zhendong Wang, Jianbo Yuan, Guanghan Ning, Pengcheng He, Quanzeng You, Hongxia Yang, Mingyuan Zhou

Diffusion models excel at generating photo-realistic images but come with significant computational costs in both training and sampling. While various techniques address these computational challenges, a less-explored issue is designing an efficient and adaptable network backbone for iterative refinement. Current options like U-Net and Vision Transformer often rely on resource-intensive deep networks and lack the flexibility needed for generating images at variable resolutions or with a smaller network than used in training.This study introduces LEGO bricks, which seamlessly integrate Local-feature Enrichment and Global-content Orchestration. These bricks can be stacked to create a test-time reconfigurable diffusion backbone, allowing selective skipping of bricks to reduce sampling costs and generate higher-resolution images than the training data. LEGO bricks enrich local regions with an MLP and transform them using a Transformer block while maintaining a consistent full-resolution image across all bricks. Experimental results demonstrate that LEGO bricks enhance training efficiency, expedite convergence, and facilitate variable-resolution image generation while maintaining strong generative performance. Moreover, LEGO significantly reduces sampling time compared to other methods, establishing it as a valuable enhancement for diffusion models. Our code and project page are available at https://jegzheng.github.io/LEGODiffusion.

Xin Li, Jing Yu Koh, Alexander Ku, Burcu Karagol Ayan, Han Zhang, Thang Luong, Yonghui Wu, Zarana Parekh, Yinfei Yang, Wei Han 等

该来源暂未提供摘要。

Reinforcement Learning · Deep RL

Diego Gomez, Michael Bowling, Marlos C. Machado

The ability to learn good representations of states is essential for solving large reinforcement learning problems, where exploration, generalization, and transfer are particularly challenging. The _Laplacian representation_ is a promising approach to address these problems by inducing informative state encoding and intrinsic rewards for temporally-extended action discovery and reward shaping. To obtain the Laplacian representation one needs to compute the eigensystem of the graph Laplacian, which is often approximated through optimization objectives compatible with deep learning approaches. These approximations, however, depend on hyperparameters that are impossible to tune efficiently, converge to arbitrary rotations of the desired eigenvectors, and are unable to accurately recover the corresponding eigenvalues. In this paper we introduce a theoretically sound objective and corresponding optimization algorithm for approximating the Laplacian representation. Our approach naturally recovers both the true eigenvectors and eigenvalues while eliminating the hyperparameter dependence of previous approximations. We provide theoretical guarantees for our method and we show that those results translate empirically into robust learning across multiple environments.

Deep Learning · Other Representation Learning

Md Mofijul Islam, Alexi Gladstone, Riashat Islam, Tariq Iqbal

Humans predominantly use verbal utterances and nonverbal gestures (e.g., eye gaze and pointing gestures) in their natural interactions. For instance, pointing gestures and verbal information is often required to comprehend questions such as "what object is that?" Thus, this question-answering (QA) task involves complex reasoning of multimodal expressions (verbal utterances and nonverbal gestures). However, prior works have explored QA tasks in non-embodied settings, where questions solely contain verbal utterances from a single verbal and visual perspective. In this paper, we have introduced 8 novel embodied question answering (EQA) tasks to develop learning models to comprehend embodied questions with multimodal expressions. We have developed a novel large-scale dataset, EQA-MX, with over 8 million diverse embodied QA data samples involving multimodal expressions from multiple visual and verbal perspectives. To learn salient multimodal representations from discrete verbal embeddings and continuous wrapping of multiview visual representations, we propose a vector-quantization (VQ) based multimodal representation learning model, VQ-Fusion, for the EQA tasks. Our extensive experimental results suggest that VQ-Fusion can improve the performance of existing state-of-the-art visual-language models up to 13% across EQA tasks.

Miscellaneous Aspects of Machine Learning · Kernel methods

Diego Martinez-Taboada, Edward Kennedy

Causal effects are usually studied in terms of the means of counterfactual distributions, which may be insufficient in many scenarios. Given a class of densities known up to normalizing constants, we propose to model counterfactual distributions by minimizing kernel Stein discrepancies in a doubly robust manner. This enables the estimation of counterfactuals over large classes of distributions while exploiting the desired double robustness. We present a theoretical analysis of the proposed estimator, providing sufficient conditions for consistency and asymptotic normality, as well as an examination of its empirical performance.

Deep Learning · Large Language Models

June Yong Yang, Geondo Park, Joowon Kim, Hyeongwon Jang, Eunho Yang

Tabular data in the wild are frequently afflicted with class-imbalance, biasing machine learning model predictions towards major classes. A data-centric solution to this problem is oversampling - where the classes are balanced by adding synthetic minority samples via generative methods. However, although tabular generative models are capable of generating synthetic samples under a balanced distribution, their integrity suffers when the number of minority samples is low. To this end, pre-trained generative language models with rich prior knowledge are a fitting candidate for the task at hand. Nevertheless, an oversampling strategy tailored for tabular data that utilizes the extensive capabilities of such language models is yet to emerge. In this paper, we propose a novel oversampling framework for tabular data to channel the abilities of generative language models. By leveraging its conditional sampling capabilities, we synthesize minority samples by progressively masking the important features of the majority class samples and imputing them towards the minority distribution. To reduce the inclusion of imperfectly converted samples, we utilize the power of the language model itself to self-authenticate the labels of the samples generated by itself, sifting out ill-converted samples. Extensive experiments on a variety of datasets and imbalance ratios reveal that the proposed method successfully generates reliable minority samples to boost the performance of machine learning classifiers, even under heavy imbalance ratios.

Deep Learning · Large Language Models

XIANG LI, Vaishnavi Shrivastava, Siyan Li, Tatsunori Hashimoto, Percy Liang

As of September 2023, ChatGPT correctly answers “what is 7+8” with 15, but when asked “7+8=15, True or False” it responds with “False”. This inconsistency between generating and validating an answer is prevalent in language models (LMs) and erodes trust. In this paper, we propose a framework for measuring the consistency between generation and validation (which we call generator-validator consistency, or GV-consistency), finding that even GPT-4 (0613), a state-of-the-art LM, is GV-consistent only 76% of the time. To improve the consistency of LMs, we propose to finetune on the filtered generator and validator responses that are GV-consistent, and call this approach consistency fine-tuning. We find that this approach improves GV-consistency of Alpaca-30B from 60% to 93%, and the improvement extrapolates to unseen tasks and domains (e.g., GV-consistency for positive style transfers extrapolates to unseen styles like humor). In addition to improving consistency, consistency fine-tuning improves both generator quality and validator accuracy without using any labeled data. Evaluated across 6 tasks, including math questions, knowledge-intensive QA, and instruction following, our method improves generator quality by an average of 16% and validator accuracy by an average of 6.3% across all tasks.