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PFN-TS: Thompson Sampling for Contextual Bandits via Prior-Data Fitted Networks

arXiv.org Machine Learning

Thompson sampling is a widely used strategy for contextual bandits: at each round, it samples a reward function from a Bayesian posterior and acts greedily under that sample. Prior-data fitted networks (PFNs), such as TabPFN v2+ and TabICL v2, are attractive candidates for this purpose because they approximate Bayesian posterior predictive distributions in a single forward pass. However, PFNs predict noisy future rewards, while Thompson sampling requires uncertainty over the latent mean reward function. We propose PFN-TS, a Thompson sampling algorithm that converts PFN posterior predictives into mean-reward samples using a subsampled predictive central limit theorem. The method estimates posterior variance from a geometric grid of $O(\log n)$ dataset prefixes rather than the full $O(n)$ predictive sequence used in previous predictive-sequence approaches, and reuses TabICL's cached representations across rounds. We prove consistency of the subsampled variance estimator and give a Bayesian regret bound that decomposes PFN-TS regret into exact posterior-sampling regret under the PFN prior plus approximation terms. Empirically, PFN-TS achieves the best average rank across nonlinear synthetic and OpenML classification-to-bandit benchmarks, remains competitive on linear and BART-generated rewards, and attains the highest estimated policy value in an offline mobile-health evaluation. Code is available at https://anonymous.4open.science/r/PFN_TS-36ED/.


In-Context Positive-Unlabeled Learning

arXiv.org Machine Learning

Positive-unlabeled (PU) learning addresses binary classification when only a set of labeled positives is available alongside a pool of unlabeled samples drawn from a mixture of positives and negatives. Existing PU methods typically require dataset-specific training or iterative optimization, which limits their applicability when many tasks must be solved quickly or with little tuning. We introduce PUICL, a pretrained transformer that solves PU classification entirely through in-context learning. PUICL is pretrained on synthetic PU datasets generated from randomly instantiated structural causal models, exposing it to a wide range of feature-label relationships and class-prior configurations. At inference time, PUICL receives the labeled positives and the unlabeled samples as a single input and returns class probabilities for the unlabeled rows in one forward pass, with no gradient updates or per-task fitting. On 20 semi-synthetic PU benchmarks derived from the UCI Machine Learning Repository, OpenML, and scikit-learn, PUICL outperforms four standard PU learning baselines in average AUC and accuracy, and is competitive on F1-score. These results show that the in-context learning paradigm extends naturally beyond fully supervised tabular prediction to the semi-supervised PU setting.




PromptBlack-box APIRaw runtime(= denoised runtime+ noise)Prompt has num_prompt_tokens, output hasnum_output_tokensChosen hardware and software(e.g., A100 GPUs and Megatron)Idealized runtimePrompt

Neural Information Processing Systems

Large language models (LLMs) are highly capable but also computationally expensive. Characterizing the fundamental tradeoff between inference efficiency and model capabilities is thus important, but requires an efficiency metric that is comparable across models from different providers. Unfortunately, raw runtimes measured through black-box APIs do not satisfy this property: model providers can implement software and hardware optimizations orthogonal to the model, and shared infrastructure introduces performance contention. We propose a new metric for inference efficiency called idealized runtime, that puts models on equal footing as though they were served on uniform hardware and software without performance contention, and a cost model to efficiently estimate this metric for autoregressive Transformer models. We also propose variants of the idealized runtime that incorporate the number and type of accelerators needed to serve the model. Using these metrics, we compare ten LLMs developed in 2022 to provide the first analysis of inference efficiency-capability tradeoffs; we make several observations from this analysis, including the fact that the superior inference runtime performance of certain APIs is often a byproduct of optimizations within the API rather than the underlying model.



Sub-Linear Memory: How to Make Performers SLiM

Neural Information Processing Systems

Transformer architectures have become very popular yet the original implementation requires O(L2) in serial time and memory as functions of input length L. Recent works proposed various linear self-attention mechanisms, scaling only as O(L) for serial computation. We conduct a thorough complexity analysis of Performers, a class which includes most recent linear Transformer mechanisms. We note a remarkable computational flexibility: the gradient computation can be performed with no approximations using sublinear memory as a function of L (in addition to negligible storage for the input sequence), at a cost of greater time complexity in the parallel setting. In the extreme case, a Performer consumes only O(1) memory, and still requires O(L) time. Due to complete backwardcompatibility, this discovered time-memory tradeoff can be used for fine-tuning on low-memory devices in a decentralized fashion without any server computations.


Making Sense of Dependence: Efficient Black-box Explanations Using Dependence Measure

Neural Information Processing Systems

This paper presents a new efficient black-box attribution method built on HilbertSchmidt Independence Criterion (HSIC). Based on Reproducing Kernel Hilbert Spaces (RKHS), HSIC measures the dependence between regions of an input image and the output of a model using the kernel embedding of their distributions. It thus provides explanations enriched by RKHS representation capabilities. HSIC can be estimated very efficiently, significantly reducing the computational cost compared to other black-box attribution methods. Our experiments show that HSIC is up to 8 times faster than the previous best black-box attribution methods while being as faithful. Indeed, we improve or match the state-of-the-art of both black-box and white-box attribution methods for several fidelity metrics on Imagenet with various recent model architectures. Importantly, we show that these advances can be transposed to efficiently and faithfully explain object detection models such as YOLOv4. Finally, we extend the traditional attribution methods by proposing a new kernel enabling an ANOVA-like orthogonal decomposition of importance scores based on HSIC, allowing us to evaluate not only the importance of each image patch but also the importance of their pairwise interactions.