Learning-Order Autoregressive Models with Application to Molecular Graph Generation

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data types, such as graphs, the canonical ordering is less obvious. To address this problem, we introduce a variant of ARM that generates high-dimensional data using a probabilistic ordering that is sequentially inferred from data. This model incorporates a trainable probability distribution, referred to as an \emph{order-policy}, that dynamically decides the autoregressive order in a state-dependent manner. To train the model, we introduce a variational lower bound on the exact log-likelihood, which we optimize with stochastic gradient estimation. We demonstrate experimentally that our method can learn meaningful autoregressive orderings in image and graph generation. On the challenging domain of molecular graph generation, we achieve state-of-the-art results on the QM9 and ZINC250k benchmarks, evaluated using the Fr\'{e}chet ChemNet Distance (FCD).

Test-time regression: a unifying framework for designing sequence models with associative memory

Sequences provide a remarkably general way to represent and process information. This powerful abstraction has placed sequence modeling at the center of modern deep learning applications, inspiring numerous architectures from transformers to recurrent networks. While this fragmented development has yielded powerful models, it has left us without a unified framework to understand their fundamental similarities and explain their effectiveness. We present a unifying framework motivated by an empirical observation: effective sequence models must be able to perform associative recall. Our key insight is that memorizing input tokens through an associative memory is equivalent to performing regression at test-time. This regression-memory correspondence provides a framework for deriving sequence models that can perform associative recall, offering a systematic lens to understand seemingly ad-hoc architectural choices. We show numerous recent architectures -- including linear attention models, their gated variants, state-space models, online learners, and softmax attention -- emerge naturally as specific approaches to test-time regression. Each architecture corresponds to three design choices: the relative importance of each association, the regressor function class, and the optimization algorithm. This connection leads to new understanding: we provide theoretical justification for QKNorm in softmax attention, and we motivate higher-order generalizations of softmax attention. Beyond unification, our work unlocks decades of rich statistical tools that can guide future development of more powerful yet principled sequence models.

LoRA of Change: Learning to Generate LoRA for the Editing Instruction from A Single Before-After Image Pair

In this paper, we propose the LoRA of Change (LoC) framework for image editing with visual instructions, i.e., before-after image pairs. Compared to the ambiguities, insufficient specificity, and diverse interpretations of natural language, visual instructions can accurately reflect users' intent. Building on the success of LoRA in text-based image editing and generation, we dynamically learn an instruction-specific LoRA to encode the "change" in a before-after image pair, enhancing the interpretability and reusability of our model. Furthermore, generalizable models for image editing with visual instructions typically require quad data, i.e., a before-after image pair, along with query and target images. Due to the scarcity of such quad data, existing models are limited to a narrow range of visual instructions. To overcome this limitation, we introduce the LoRA Reverse optimization technique, enabling large-scale training with paired data alone. Extensive qualitative and quantitative experiments demonstrate that our model produces high-quality images that align with user intent and support a broad spectrum of real-world visual instructions.

Ca2-VDM: Efficient Autoregressive Video Diffusion Model with Causal Generation and Cache Sharing

With the advance of diffusion models, today's video generation has achieved impressive quality. To extend the generation length and facilitate real-world applications, a majority of video diffusion models (VDMs) generate videos in an autoregressive manner, i.e., generating subsequent clips conditioned on the last frame(s) of the previous clip. However, existing autoregressive VDMs are highly inefficient and redundant: The model must re-compute all the conditional frames that are overlapped between adjacent clips. This issue is exacerbated when the conditional frames are extended autoregressively to provide the model with long-term context. In such cases, the computational demands increase significantly (i.e., with a quadratic complexity w.r.t. the autoregression step). In this paper, we propose Ca2-VDM, an efficient autoregressive VDM with Causal generation and Cache sharing. For causal generation, it introduces unidirectional feature computation, which ensures that the cache of conditional frames can be precomputed in previous autoregression steps and reused in every subsequent step, eliminating redundant computations. For cache sharing, it shares the cache across all denoising steps to avoid the huge cache storage cost. Extensive experiments demonstrated that our Ca2-VDM achieves state-of-the-art quantitative and qualitative video generation results and significantly improves the generation speed. Code is available at https://github.com/Dawn-LX/CausalCache-VDM

Re-TASK: Revisiting LLM Tasks from Capability, Skill, and Knowledge Perspectives

As large language models (LLMs) continue to scale, their enhanced performance often proves insufficient for solving domain-specific tasks. Systematically analyzing their failures and effectively enhancing their performance remain significant challenges. This paper introduces the Re-TASK framework, a novel theoretical model that Revisits LLM Tasks from cApability, Skill, Knowledge perspectives, guided by the principles of Bloom's Taxonomy and Knowledge Space Theory. The Re-TASK framework provides a systematic methodology to deepen our understanding, evaluation, and enhancement of LLMs for domain-specific tasks. It explores the interplay among an LLM's capabilities, the knowledge it processes, and the skills it applies, elucidating how these elements are interconnected and impact task performance. Our application of the Re-TASK framework reveals that many failures in domain-specific tasks can be attributed to insufficient knowledge or inadequate skill adaptation. With this insight, we propose structured strategies for enhancing LLMs through targeted knowledge injection and skill adaptation. Specifically, we identify key capability items associated with tasks and employ a deliberately designed prompting strategy to enhance task performance, thereby reducing the need for extensive fine-tuning. Alternatively, we fine-tune the LLM using capability-specific instructions, further validating the efficacy of our framework. Experimental results confirm the framework's effectiveness, demonstrating substantial improvements in both the performance and applicability of LLMs.

Informed Correctors for Discrete Diffusion Models

Discrete diffusion modeling is a promising framework for modeling and generating data in discrete spaces. To sample from these models, different strategies present trade-offs between computation and sample quality. A predominant sampling strategy is predictor-corrector $\tau$-leaping, which simulates the continuous time generative process with discretized predictor steps and counteracts the accumulation of discretization error via corrector steps. However, for absorbing state diffusion, an important class of discrete diffusion models, the standard forward-backward corrector can be ineffective in fixing such errors, resulting in subpar sample quality. To remedy this problem, we propose a family of informed correctors that more reliably counteracts discretization error by leveraging information learned by the model. For further efficiency gains, we also propose $k$-Gillespie's, a sampling algorithm that better utilizes each model evaluation, while still enjoying the speed and flexibility of $\tau$-leaping. Across several real and synthetic datasets, we show that $k$-Gillespie's with informed correctors reliably produces higher quality samples at lower computational cost.

ViD-GPT: Introducing GPT-style Autoregressive Generation in Video Diffusion Models

With the advance of diffusion models, today's video generation has achieved impressive quality. But generating temporal consistent long videos is still challenging. A majority of video diffusion models (VDMs) generate long videos in an autoregressive manner, i.e., generating subsequent clips conditioned on last frames of previous clip. However, existing approaches all involve bidirectional computations, which restricts the receptive context of each autoregression step, and results in the model lacking long-term dependencies. Inspired from the huge success of large language models (LLMs) and following GPT (generative pre-trained transformer), we bring causal (i.e., unidirectional) generation into VDMs, and use past frames as prompt to generate future frames. For Causal Generation, we introduce causal temporal attention into VDM, which forces each generated frame to depend on its previous frames. For Frame as Prompt, we inject the conditional frames by concatenating them with noisy frames (frames to be generated) along the temporal axis. Consequently, we present Video Diffusion GPT (ViD-GPT). Based on the two key designs, in each autoregression step, it is able to acquire long-term context from prompting frames concatenated by all previously generated frames. Additionally, we bring the kv-cache mechanism to VDMs, which eliminates the redundant computation from overlapped frames, significantly boosting the inference speed. Extensive experiments demonstrate that our ViD-GPT achieves state-of-the-art performance both quantitatively and qualitatively on long video generation. Code will be available at https://github.com/Dawn-LX/Causal-VideoGen.

Simplified and Generalized Masked Diffusion for Discrete Data

Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and unclear relationships between different perspectives, leading to suboptimal parameterization, training objectives, and ad hoc adjustments to counteract these issues. In this work, we aim to provide a simple and general framework that unlocks the full potential of masked diffusion models. We show that the continuous-time variational objective of masked diffusion models is a simple weighted integral of cross-entropy losses. Our framework also enables training generalized masked diffusion models with state-dependent masking schedules. When evaluated by perplexity, our models trained on OpenWebText surpass prior diffusion language models at GPT-2 scale and demonstrate superior performance on 4 out of 5 zero-shot language modeling tasks. Furthermore, our models vastly outperform previous discrete diffusion models on pixel-level image modeling, achieving 2.78~(CIFAR-10) and 3.42 (ImageNet 64$\times$64) bits per dimension that are comparable or better than autoregressive models of similar sizes.

Non-confusing Generation of Customized Concepts in Diffusion Models

We tackle the common challenge of inter-concept visual confusion in compositional concept generation using text-guided diffusion models (TGDMs). It becomes even more pronounced in the generation of customized concepts, due to the scarcity of user-provided concept visual examples. By revisiting the two major stages leading to the success of TGDMs -- 1) contrastive image-language pre-training (CLIP) for text encoder that encodes visual semantics, and 2) training TGDM that decodes the textual embeddings into pixels -- we point that existing customized generation methods only focus on fine-tuning the second stage while overlooking the first one. To this end, we propose a simple yet effective solution called CLIF: contrastive image-language fine-tuning. Specifically, given a few samples of customized concepts, we obtain non-confusing textual embeddings of a concept by fine-tuning CLIP via contrasting a concept and the over-segmented visual regions of other concepts. Experimental results demonstrate the effectiveness of CLIF in preventing the confusion of multi-customized concept generation.

Cross-Lingual Transfer for Natural Language Inference via Multilingual Prompt Translator

Based on multilingual pre-trained models, cross-lingual transfer with prompt learning has shown promising effectiveness, where soft prompt learned in a source language is transferred to target languages for downstream tasks, particularly in the low-resource scenario. To efficiently transfer soft prompt, we propose a novel framework, Multilingual Prompt Translator (MPT), where a multilingual prompt translator is introduced to properly process crucial knowledge embedded in prompt by changing language knowledge while retaining task knowledge. Concretely, we first train prompt in source language and employ translator to translate it into target prompt. Besides, we extend an external corpus as auxiliary data, on which an alignment task for predicted answer probability is designed to convert language knowledge, thereby equipping target prompt with multilingual knowledge. In few-shot settings on XNLI, MPT demonstrates superiority over baselines by remarkable improvements. MPT is more prominent compared with vanilla prompting when transferring to languages quite distinct from source language.