Daily Papers

Seismic advances in generative AI algorithms for imagery, text, and other data types has led to the temptation to use synthetic data to train next-generation models. Repeating this process creates an autophagous (self-consuming) loop whose properties are poorly understood. We conduct a thorough analytical and empirical analysis using state-of-the-art generative image models of three families of autophagous loops that differ in how fixed or fresh real training data is available through the generations of training and in whether the samples from previous generation models have been biased to trade off data quality versus diversity. Our primary conclusion across all scenarios is that without enough fresh real data in each generation of an autophagous loop, future generative models are doomed to have their quality (precision) or diversity (recall) progressively decrease. We term this condition Model Autophagy Disorder (MAD), making analogy to mad cow disease.

Scaling generative AI models is bottlenecked by the scarcity of high-quality training data. The ease of synthesizing from a generative model suggests using (unverified) synthetic data to augment a limited corpus of real data for the purpose of fine-tuning in the hope of improving performance. Unfortunately, however, the resulting positive feedback loop leads to model autophagy disorder (MAD, aka model collapse) that results in a rapid degradation in sample quality and/or diversity. In this paper, we introduce Neon (for Negative Extrapolation frOm self-traiNing), a new learning method that turns the degradation from self-training into a powerful signal for self-improvement. Given a base model, Neon first fine-tunes it on its own self-synthesized data but then, counterintuitively, reverses its gradient updates to extrapolate away from the degraded weights. We prove that Neon works because typical inference samplers that favor high-probability regions create a predictable anti-alignment between the synthetic and real data population gradients, which negative extrapolation corrects to better align the model with the true data distribution. Neon is remarkably easy to implement via a simple post-hoc merge that requires no new real data, works effectively with as few as 1k synthetic samples, and typically uses less than 1% additional training compute. We demonstrate Neon's universality across a range of architectures (diffusion, flow matching, autoregressive, and inductive moment matching models) and datasets (ImageNet, CIFAR-10, and FFHQ). In particular, on ImageNet 256x256, Neon elevates the xAR-L model to a new state-of-the-art FID of 1.02 with only 0.36% additional training compute. Code is available at https://github.com/SinaAlemohammad/Neon

The artificial intelligence (AI) world is running out of real data for training increasingly large generative models, resulting in accelerating pressure to train on synthetic data. Unfortunately, training new generative models with synthetic data from current or past generation models creates an autophagous (self-consuming) loop that degrades the quality and/or diversity of the synthetic data in what has been termed model autophagy disorder (MAD) and model collapse. Current thinking around model autophagy recommends that synthetic data is to be avoided for model training lest the system deteriorate into MADness. In this paper, we take a different tack that treats synthetic data differently from real data. Self-IMproving diffusion models with Synthetic data (SIMS) is a new training concept for diffusion models that uses self-synthesized data to provide negative guidance during the generation process to steer a model's generative process away from the non-ideal synthetic data manifold and towards the real data distribution. We demonstrate that SIMS is capable of self-improvement; it establishes new records based on the Fr\'echet inception distance (FID) metric for CIFAR-10 and ImageNet-64 generation and achieves competitive results on FFHQ-64 and ImageNet-512. Moreover, SIMS is, to the best of our knowledge, the first prophylactic generative AI algorithm that can be iteratively trained on self-generated synthetic data without going MAD. As a bonus, SIMS can adjust a diffusion model's synthetic data distribution to match any desired in-domain target distribution to help mitigate biases and ensure fairness.

The objective is the design of a Cellular Automata rule that can form patterns with 'touching' loops. A loop is defined as a closed path of 1-cells in a 2D grid on a zero background and with a zero border. A path cell is connected with two of its adjacent neighbors. In touching loops a path cell is also allowed to touch another on a diagonal. A CA rule was designed that can evolve stable touching loop patterns. The rule tries to cover the 2D space by overlapping tiles. The rule uses so-called templates, 5 x 5 matching patterns which are systematically derived from the given set of 3 x 3 tiles. The rule checks the pattern being evolved against a list of templates. If the outer neighbors of a template match, then the cell's state is set to the template's center value. Noise is injected if there is no matching template, or the tiles are not properly assembled. Thereby the evolution is driven to the desired loop patterns.

The complementarity-determining regions of antibodies are loop structures that are key to their interactions with antigens, and of high importance to the design of novel biologics. Since the 1980s, categorizing the diversity of CDR structures into canonical clusters has enabled the identification of key structural motifs of antibodies. However, existing approaches have limited coverage and cannot be readily incorporated into protein foundation models. Here we introduce ImmunoGlobulin LOOp Tokenizer, Igloo, a multimodal antibody loop tokenizer that encodes backbone dihedral angles and sequence. Igloo is trained using a contrastive learning objective to map loops with similar backbone dihedral angles closer together in latent space. Igloo can efficiently retrieve the closest matching loop structures from a structural antibody database, outperforming existing methods on identifying similar H3 loops by 5.9\%. Igloo assigns tokens to all loops, addressing the limited coverage issue of canonical clusters, while retaining the ability to recover canonical loop conformations. To demonstrate the versatility of Igloo tokens, we show that they can be incorporated into protein language models with IglooLM and IglooALM. On predicting binding affinity of heavy chain variants, IglooLM outperforms the base protein language model on 8 out of 10 antibody-antigen targets. Additionally, it is on par with existing state-of-the-art sequence-based and multimodal protein language models, performing comparably to models with 7times more parameters. IglooALM samples antibody loops which are diverse in sequence and more consistent in structure than state-of-the-art antibody inverse folding models. Igloo demonstrates the benefit of introducing multimodal tokens for antibody loops for encoding the diverse landscape of antibody loops, improving protein foundation models, and for antibody CDR design.

We reformulate the problem of supervised learning as learning to learn with two nested loops (i.e. learning problems). The inner loop learns on each individual instance with self-supervision before final prediction. The outer loop learns the self-supervised task used by the inner loop, such that its final prediction improves. Our inner loop turns out to be equivalent to linear attention when the inner-loop learner is only a linear model, and to self-attention when it is a kernel estimator. For practical comparison with linear or self-attention layers, we replace each of them in a transformer with an inner loop, so our outer loop is equivalent to training the architecture. When each inner-loop learner is a neural network, our approach vastly outperforms transformers with linear attention on ImageNet from 224 x 224 raw pixels in both accuracy and FLOPs, while (regular) transformers cannot run.

The training and deployment of large language models (LLMs) create a feedback loop with human users: models learn human beliefs from data, reinforce these beliefs with generated content, reabsorb the reinforced beliefs, and feed them back to users again and again. This dynamic resembles an echo chamber. We hypothesize that this feedback loop entrenches the existing values and beliefs of users, leading to a loss of diversity and potentially the lock-in of false beliefs. We formalize this hypothesis and test it empirically with agent-based LLM simulations and real-world GPT usage data. Analysis reveals sudden but sustained drops in diversity after the release of new GPT iterations, consistent with the hypothesized human-AI feedback loop. Code and data available at https://thelockinhypothesis.com

Interactive digital agents (IDAs) leverage APIs of stateful digital environments to perform tasks in response to user requests. While IDAs powered by instruction-tuned large language models (LLMs) can react to feedback from interface invocations in multi-step exchanges, they have not been trained in their respective digital environments. Prior methods accomplish less than half of tasks in sophisticated benchmarks such as AppWorld. We present a reinforcement learning (RL) approach that trains IDAs directly in their target environments. We formalize this training as a partially observable Markov decision process and derive LOOP, a data- and memory-efficient variant of proximal policy optimization. LOOP uses no value network and maintains exactly one copy of the underlying LLM in memory, making its implementation straightforward and as memory-efficient as fine-tuning a single LLM. A 32-billion-parameter agent trained with LOOP in the AppWorld environment outperforms the much larger OpenAI o1 agent by 9 percentage points (15% relative). To our knowledge, this is the first reported application of RL to IDAs that interact with a stateful, multi-domain, multi-app environment via direct API calls. Our analysis sheds light on the effectiveness of RL in this area, showing that the agent learns to consult the API documentation, avoid unwarranted assumptions, minimize confabulation, and recover from setbacks.

While polyhedral compilers have shown success in implementing advanced code transformations, they still face challenges in selecting the ones that lead to the most profitable speedups. This has motivated the use of machine learning based cost models to guide the search for polyhedral optimizations. State-of-the-art polyhedral compilers have demonstrated a viable proof-of-concept of such an approach. While promising, this approach still faces significant limitations. State-of-the-art polyhedral compilers that use a deep learning cost model only support a small subset of affine transformations, limiting their ability to explore complex code transformations. Furthermore, their applicability does not scale beyond simple programs, thus excluding many program classes from their scope, such as those with non-rectangular iteration domains or multiple loop nests. These limitations significantly impact the generality of such compilers and autoschedulers and put into question the whole approach. In this paper, we introduce LOOPer, the first polyhedral autoscheduler that uses a deep learning based cost model and covers a large space of affine transformations and programs. LOOPer allows the optimization of an extensive set of programs while being effective at applying complex sequences of polyhedral transformations. We implement and evaluate LOOPer and show that it achieves competitive speedups over the state-of-the-art. On the PolyBench benchmarks, LOOPer achieves a geometric mean speedup of 1.84x over Tiramisu and 1.42x over Pluto, two state-of-the-art polyhedral autoschedulers.

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to well-known open source python libraries pillow and numpy. We find that contemporary LLM ChatGPT-4 (state September and October 2023) is surprisingly adept at optimizing energy and compute efficiency. However, this is only the case in interactive use, with a human expert in the loop. Aware of experimenter bias, we document our qualitative approach in detail, and provide transcript and source code. We start by providing a detailed description of our approach in conversing with the LLM to optimize the _getextrema function in the pillow library, and a quantitative evaluation of the performance improvement. To demonstrate qualitative replicability, we report further attempts on another locus in the pillow library, and one code locus in the numpy library, to demonstrate generalization within and beyond a library. In all attempts, the performance improvement is significant (factor up to 38). We have also not omitted reporting of failed attempts (there were none). We conclude that LLMs are a promising tool for code optimization in open source libraries, but that the human expert in the loop is essential for success. Nonetheless, we were surprised by how few iterations were required to achieve substantial performance improvements that were not obvious to the expert in the loop. We would like bring attention to the qualitative nature of this study, more robust quantitative studies would need to introduce a layer of selecting experts in a representative sample -- we invite the community to collaborate.

We introduce ROLL, an efficient, scalable, and user-friendly library designed for Reinforcement Learning Optimization for Large-scale Learning. ROLL caters to three primary user groups: tech pioneers aiming for cost-effective, fault-tolerant large-scale training, developers requiring flexible control over training workflows, and researchers seeking agile experimentation. ROLL is built upon several key modules to serve these user groups effectively. First, a single-controller architecture combined with an abstraction of the parallel worker simplifies the development of the training pipeline. Second, the parallel strategy and data transfer modules enable efficient and scalable training. Third, the rollout scheduler offers fine-grained management of each sample's lifecycle during the rollout stage. Fourth, the environment worker and reward worker support rapid and flexible experimentation with agentic RL algorithms and reward designs. Finally, AutoDeviceMapping allows users to assign resources to different models flexibly across various stages.

Despite being self-supervised, protein language models have shown remarkable performance in fundamental biological tasks such as predicting impact of genetic variation on protein structure and function. The effectiveness of these models on diverse set of tasks suggests that they learn meaningful representations of fitness landscape that can be useful for downstream clinical applications. Here, we interrogate the use of these language models in characterizing known pathogenic mutations in curated, medically actionable genes through an exhaustive search of putative compensatory mutations on each variant's genetic background. Systematic analysis of the predicted effects of these compensatory mutations reveal unappreciated structural features of proteins that are missed by other structure predictors like AlphaFold. While deep mutational scan experiments provide an unbiased estimate of the mutational landscape, we encourage the community to generate and curate rescue mutation experiments to inform the design of more sophisticated co-masking strategies and leverage large language models more effectively for downstream clinical prediction tasks.

Advanced compiler technology is crucial for enabling machine learning applications to run on novel hardware, but traditional compilers fail to deliver performance, popular auto-tuners have long search times and expert-optimized libraries introduce unsustainable costs. To address this, we developed LoopTune, a deep reinforcement learning compiler that optimizes tensor computations in deep learning models for the CPU. LoopTune optimizes tensor traversal order while using the ultra-fast lightweight code generator LoopNest to perform hardware-specific optimizations. With a novel graph-based representation and action space, LoopTune speeds up LoopNest by 3.2x, generating an order of magnitude faster code than TVM, 2.8x faster than MetaSchedule, and 1.08x faster than AutoTVM, consistently performing at the level of the hand-tuned library Numpy. Moreover, LoopTune tunes code in order of seconds.