NeurIPS 2024 Papers

A common source of anxiety for the computational neuroscience student is the question “will my recurrent neural network (RNN) model finally learn that task?”. Unlike in machine learning where any architectural modification of an RNN (e.g. GRU or LSTM) is acceptable if it speeds up training, the RNN models trained as _models of brain dynamics_ are subject to plausibility constraints that fundamentally exclude the usual machine learning hacks. The “vanilla” RNNs commonly used in computational neuroscience find themselves plagued by ill-conditioned loss surfaces that complicate training and significantly hinder our capacity to investigate the brain dynamics underlying complex tasks. Moreover, some tasks may require very long time horizons which backpropagation cannot handle given typical GPU memory limits. Here, we develop SOFO, a second-order optimizer that efficiently navigates loss surfaces whilst _not_ requiring backpropagation. By relying instead on easily parallelized batched forward-mode differentiation, SOFO enjoys constant memory cost in time. Morever, unlike most second-order optimizers which involve inherently sequential operations, SOFO's effective use of GPU parallelism yields a per-iteration wallclock time essentially on par with first-order gradient-based optimizers. We show vastly superior performance compared to Adam on a number of RNN tasks, including a difficult double-reaching motor task and the learning of an adaptive Kalman filter algorithm trained over a long horizon.

Humans excel at detecting and segmenting moving objects according to the {\it Gestalt} principle of “common fate”. Remarkably, previous works have shown that human perception generalizes this principle in a zero-shot fashion to unseen textures or random dots. In this work, we seek to better understand the computational basis for this capability by evaluating a broad range of optical flow models and a neuroscience inspired motion energy model for zero-shot figure-ground segmentation of random dot stimuli. Specifically, we use the extensively validated motion energy model proposed by Simoncelli and Heeger in 1998 which is fitted to neural recordings in cortex area MT. We find that a cross section of 40 deep optical flow models trained on different datasets struggle to estimate motion patterns in random dot videos, resulting in poor figure-ground segmentation performance. Conversely, the neuroscience-inspired model significantly outperforms all optical flow models on this task. For a direct comparison to human perception, we conduct a psychophysical study using a shape identification task as a proxy to measure human segmentation performance. All state-of-the-art optical flow models fall short of human performance, but only the motion energy model matches human capability. This neuroscience-inspired model successfully addresses the lack of human-like zero-shot generalization to random dot stimuli in current computer vision models, and thus establishes a compelling link between the Gestalt psychology of human object perception and cortical motion processing in the brain. Code, models and datasets are available at https://github.com/mtangemann/motion_energy_segmentation

In this paper, we reconstruct naturalistic images directly from macaque brain signals using a convolutional neural network (CNN) based decoder. We investigate the ability of this CNN-based decoding technique to differentiate among neuronal populations from areas V1, V4, and IT, revealing distinct readout characteristics for each. This research marks a progression from low-level to high-level brain signals, thereby enriching the existing framework for utilizing CNN-based decoders to decode brain activity. Our results demonstrate high-precision reconstructions of naturalistic images, highlighting the efficiency of CNN-based decoders in advancing our knowledge of how the brain's representations translate into pixels. Additionally, we present a novel space-time-resolved decoding technique, demonstrating how temporal resolution in decoding can advance our understanding of neural representations. Moreover, we introduce a learned receptive field layer that sheds light on the CNN-based model's data processing during training, enhancing understanding of its structure and interpretive capacity.

High-level visual brain regions contain subareas in which neurons appear to respond more strongly to examples of a particular semantic category, like faces or bodies, rather than objects. However, recent work has shown that while this finding holds on average, some out-of-category stimuli also activate neurons in these regions. This may be due to visual features common among the preferred class also being present in other images. Here, we propose a deep-learning-based approach for visualizing these features. For each neuron, we identify relevant visual features driving its selectivity by modelling responses to images based on latent activations of a deep neural network. Given an out-of-category image which strongly activates the neuron, our method first identifies a reference image from the preferred category yielding a similar feature activation pattern. We then backpropagate latent activations of both images to the pixel level, while enhancing the identified shared dimensions and attenuating non-shared features. The procedure highlights image regions containing shared features driving responses of the model neuron. We apply the algorithm to novel recordings from body-selective regions in macaque IT cortex in order to understand why some images of objects excite these neurons. Visualizations reveal object parts which resemble parts of a macaque body, shedding light on neural preference of these objects.

Recent analysis on the training dynamics of Transformers has unveiled an interesting characteristic: the training loss plateaus for a significant number of training steps, and then suddenly (and sharply) drops to near--optimal values. To understand this phenomenon in depth, we formulate the low-rank matrix completion problem as a masked language modeling (MLM) task, and show that it is possible to train a BERT model to solve this task to low error. Furthermore, the loss curve shows a plateau early in training followed by a sudden drop to near-optimal values, despite no changes in the training procedure or hyper-parameters. To gain interpretability insights into this sudden drop, we examine the model's predictions, attention heads, and hidden states before and after this transition. Concretely, we observe that (a) the model transitions from simply copying the masked input to accurately predicting the masked entries; (b) the attention heads transition to interpretable patterns relevant to the task; and (c) the embeddings and hidden states encode information relevant to the problem. We also analyze the training dynamics of individual model components to understand the sudden drop in loss.

Stochastic dominance is an important concept in probability theory, econometrics and social choice theory for robustly modeling agents' preferences between random outcomes. While many works have been dedicated to the univariate case, little has been done in the multivariate scenario, wherein an agent has to decide between different multivariate outcomes. By exploiting a characterization of multivariate first stochastic dominance in terms of couplings, we introduce a statistic that assesses multivariate almost stochastic dominance under the framework of Optimal Transport with a smooth cost. Further, we introduce an entropic regularization of this statistic, and establish a central limit theorem (CLT) and consistency of the bootstrap procedure for the empirical statistic. Armed with this CLT, we propose a hypothesis testing framework as well as an efficient implementation using the Sinkhorn algorithm. We showcase our method in comparing and benchmarking Large Language Models that are evaluated on multiple metrics. Our multivariate stochastic dominance test allows us to capture the dependencies between the metrics in order to make an informed and statistically significant decision on the relative performance of the models.

Working memory is a central cognitive ability crucial for intelligent decision-making. Recent experimental and computational work studying working memory has primarily used categorical (i.e., one-hot) inputs, rather than ecologically-relevant, multidimensional naturalistic ones. Moreover, studies have primarily investigated working memory during single or few number of cognitive tasks. As a result, an understanding of how naturalistic object information is maintained in working memory in neural networks is still lacking. To bridge this gap, we developed sensory-cognitive models, comprising of a convolutional neural network (CNN) coupled with a recurrent neural network (RNN), and trained them on nine distinct N-back tasks using naturalistic stimuli. By examining the RNN’s latent space, we found that: 1) Multi-task RNNs represent both task-relevant and irrelevant information simultaneously while performing tasks; 2) While the latent subspaces used to maintain specific object properties in vanilla RNNs are largely shared across tasks, they are highly task-specific in gated RNNs such as GRU and LSTM; 3) Surprisingly, RNNs embed objects in new representational spaces in which individual object features are less orthogonalized relative to the perceptual space; 4) Interestingly, the transformation of WM encodings (i.e., embedding of visual inputs in the RNN latent space) into memory was shared across stimuli, yet the transformations governing the retention of a memory in the face of incoming distractor stimuli were distinct across time. Our findings indicate that goal-driven RNNs employ chronological memory subspaces to track information over short time spans, enabling testable predictions with neural data.

As the problem of minimizing functionals on the Wasserstein space encompasses many applications in machine learning, different optimization algorithms on $\mathbb{R}^d$ have received their counterpart analog on the Wasserstein space. We focus here on lifting two explicit algorithms: mirror descent and preconditioned gradient descent. These algorithms have been introduced to better capture the geometry of the function to minimize and are provably convergent under appropriate (namely relative) smoothness and convexity conditions. Adapting these notions to the Wasserstein space, we prove guarantees of convergence of some Wasserstein-gradient-based discrete-time schemes for new pairings of objective functionals and regularizers. The difficulty here is to carefully select along which curves the functionals should be smooth and convex. We illustrate the advantages of adapting the geometry induced by the regularizer on ill conditioned optimization tasks, and showcase the improvement of choosing different discrepancies and geometries in a computational biology task of aligning single-cells.

Data curation is a field with origins in librarianship and archives, whose scholarship and thinking on data issues go back centuries, if not millennia. The field of machine learning is increasingly observing the importance of data curation to the advancement of both applications and fundamental understanding of machine learning models -- evidenced not least by the creation of the Datasets and Benchmarks track itself. This work provides an analysis of recent dataset development practices at NeurIPS through the lens of data curation. We present an evaluation framework for dataset documentation, consisting of a rubric and toolkit developed through a thorough literature review of data curation principles. We use the framework to systematically assess the strengths and weaknesses in current dataset development practices of 60 datasets published in the NeurIPS Datasets and Benchmarks track from 2021-2023. We summarize key findings and trends. Results indicate greater need for documentation about environmental footprint, ethical considerations, and data management. We suggest targeted strategies and resources to improve documentation in these areas and provide recommendations for the NeurIPS peer-review process that prioritize rigorous data curation in ML. We also provide guidelines for dataset developers on the use of our rubric as a standalone tool. Finally, we provide results in the format of a dataset that showcases aspects of recommended data curation practices. Our rubric and results are of interest for improving data curation practices broadly in the field of ML as well as to data curation and science and technology studies scholars studying practices in ML. Our aim is to support continued improvement in interdisciplinary research on dataset practices, ultimately improving the reusability and reproducibility of new datasets and benchmarks, enabling standardized and informed human oversight, and strengthening the foundation of rigorous and responsible ML research.

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with 'near-true' formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for $\pi$, $\ln(2)$, Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

Set theory is foundational to mathematics and, when sets are finite, to reasoning about the world. An intelligent system should perform set operations consistently, regardless of superficial variations in the operands. Initially designed for semantically-oriented NLP tasks, large language models (LLMs) are now being evaluated on algorithmic tasks. Because sets are comprised of arbitrary symbols (e.g. numbers, words), they provide an opportunity to test, systematically, the invariance of LLMs’ algorithmic abilities under simple lexical or semantic variations. To this end, we present the SETLEXSEM CHALLENGE, a synthetic benchmark that evaluates the performance of LLMs on set operations. SETLEXSEM assesses the robustness of LLMs’ instruction-following abilities under various conditions, focusing on the set operations and the nature and construction of the set members. Evaluating seven LLMs with SETLEXSEM, we find that they exhibit poor robust- ness to variation in both operation and operands. We show – via the framework’s systematic sampling of set members along lexical and semantic dimensions – that LLMs are not only not robust to variation along these dimensions but demonstrate unique failure modes in particular, easy-to-create semantic groupings of "deceptive" sets. We find that rigorously measuring language model robustness to variation in frequency and length is challenging and present an analysis that measures them in- dependently. The code for reproducing the results of this paper, and for generating the SETLEXSEM CHALLENGE dataset, is available https://github.com/amazon-science/SetLexSem-Challenge.

Although the transformer architecture has come to dominate other models for text and image data, its application to irregularly-spaced longitudinal data has been limited. We introduce a variant of the transformer that enables it to more smoothly impute such functional data. We augment the vanilla transformer with a simple module we call SAND (self-attention on derivatives), which naturally encourages smoothness by modeling the sub-derivative of the imputed curve. On the theoretical front, we prove the number of hidden nodes required by a network with SAND to achieve an $\epsilon$ prediction error bound for functional imputation. Extensive experiments over various types of functional data demonstrate that transformers with SAND produce better imputations than both their standard counterparts as well as transformers augmented with alternative approaches to encode the inductive bias of smoothness. SAND also outperforms standard statistical methods for functional imputation like kernel smoothing and PACE.

Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of any successful real-world application. At the same time, the field of dynamical systems benefited from deep learning and scaled to countless applications but does not allow parameter identification. In this paper, we draw a clear connection between the two and their key assumptions, allowing us to apply identifiable methods developed in causal representation learning to dynamical systems. At the same time, we can leverage scalable differentiable solvers developed for differential equations to build models that are both identifiable and practical. Overall, we learn explicitly controllable models that isolate the trajectory-specific parameters for further downstream tasks such as out-of-distribution classification or treatment effect estimation. We experiment with a wind simulator with partially known factors of variation. We also apply the resulting model to real-world climate data and successfully answer downstream causal questions in line with existing literature on climate change.

We present a unified likelihood ratio-based confidence sequence (CS) for *any* (self-concordant) generalized linear model (GLM) that is guaranteed to be convex and numerically tight. We show that this is on par or improves upon known CSs for various GLMs, including Gaussian, Bernoulli, and Poisson. In particular, for the first time, our CS for Bernoulli has a $\mathrm{poly}(S)$-free radius where $S$ is the norm of the unknown parameter. Our first technical novelty is its derivation, which utilizes a time-uniform PAC-Bayesian bound with a uniform prior/posterior, despite the latter being a rather unpopular choice for deriving CSs. As a direct application of our new CS, we propose a simple and natural optimistic algorithm called **OFUGLB**, applicable to *any* generalized linear bandits (**GLB**; Filippi et al. (2010)). Our analysis shows that the celebrated optimistic approach simultaneously attains state-of-the-art regrets for various self-concordant (not necessarily bounded) **GLB**s, and even $\mathrm{poly}(S)$-free for bounded **GLB**s, including logistic bandits. The regret analysis, our second technical novelty, follows from combining our new CS with a new proof technique that completely avoids the previously widely used self-concordant control lemma (Faury et al., 2020, Lemma 9). Numerically, **OFUGLB** outperforms or is at par with prior algorithms for logistic bandits.

Data science (DS) programs, typically built on popular DS libraries (such as PyTorch and NumPy) with thousands of APIs, serve as the cornerstone for various mission-critical domains such as financial systems, autonomous driving software, and coding assistants. Recently, large language models (LLMs) have been widely applied to generate DS programs across diverse scenarios, such as assisting users for DS programming or detecting critical vulnerabilities in DS frameworks. Such applications have all operated under the assumption, that LLMs can implicitly model the numerical parameter constraints in DS library APIs and produce valid code. However, this assumption has not been rigorously studied in the literature. In this paper, we empirically investigate the proficiency of LLMs to handle these implicit numerical constraints when generating DS programs. We studied 28 widely used APIs from PyTorch and NumPy, and scrutinized the LLMs’ generation performance in different levels of granularity: full programs, all parameters, and individual parameters of a single API. We evaluated both state-of-the-art open-source and closed-source models. The results show that LLMs are great at generating simple DS programs, particularly those that follow common patterns seen in training data. However, as we increase the difficulty by providing more complex/unusual inputs, the performance of LLMs drops significantly. We also observe that GPT-4-Turbo can sustain much higher performance overall, but still cannot handle arithmetic API constraints well. In summary, while LLMs exhibit the ability to memorize common patterns of popular DS API usage through massive training, they overall lack genuine comprehension of the underlying numerical constraints.

Deep learning based neural decoding from stereotactic electroencephalography (sEEG) would likely benefit from scaling up both dataset and model size. To achieve this, combining data across multiple subjects is crucial. However, in sEEG cohorts, each subject has a variable number of electrodes placed at distinct locations in their brain, solely based on clinical needs. Such heterogeneity in electrode number/placement poses a significant challenge for data integration, since there is no clear correspondence of the neural activity recorded at distinct sites between individuals. Here we introduce seegnificant: a training framework and architecture that can be used to decode behavior across subjects using sEEG data. We tokenize the neural activity within electrodes using convolutions and extract long-term temporal dependencies between tokens using self-attention in the time dimension. The 3D location of each electrode is then mixed with the tokens, followed by another self-attention in the electrode dimension to extract effective spatiotemporal neural representations. Subject-specific heads are then used for downstream decoding tasks. Using this approach, we construct a multi-subject model trained on the combined data from 21 subjects performing a behavioral task. We demonstrate that our model is able to decode the trial-wise response time of the subjects during the behavioral task solely from neural data. We also show that the neural representations learned by pretraining our model across individuals can be transferred in a few-shot manner to new subjects. This work introduces a scalable approach towards sEEG data integration for multi-subject model training, paving the way for cross-subject generalization for sEEG decoding.

During natural evolution, the primary visual cortex (V1) of lower mammals typically forms salt-and-pepper organizations, while higher mammals and primates develop pinwheel structures with distinct topological properties. Despite the general belief that V1 neurons primarily serve as edge detectors, the functional advantages of pinwheel structures over salt-and-peppers are not well recognized. To this end, we propose a two-dimensional self-evolving spiking neural network that integrates Hebbian-like plasticity and empirical morphological data. Through extensive exposure to image data, our network evolves from salt-and-peppers to pinwheel structures, with neurons becoming localized bandpass filters responsive to various orientations. This transformation is accompanied by an increase in visual field overlap. Our findings indicate that neurons in pinwheel centers (PCs) respond more effectively to complex spatial textures in natural images, exhibiting quicker responses than those in salt-and-pepper organizations. PCs act as first-order stage processors with heightened sensitivity and reduced latency to intricate contours, while adjacent iso-orientation domains serve as second-order stage processors that refine edge representations for clearer perception. This study presents the first theoretical evidence that pinwheel structures function as crucial detectors of spatial contour saliency in the visual cortex.

We prove that single-parameter natural exponential families with subexponential tails are self-concordant with polynomial-sized parameters. For subgaussian natural exponential families we establish an exact characterization of the growth rate of the self-concordance parameter. Applying these findings to bandits allows us to fill gaps in the literature: We show that optimistic algorithms for generalized linear bandits enjoy regret bounds that are both second-order (scale with the variance of the optimal arm's reward distribution) and free of an exponential dependence on the bound of the problem parameter in the leading term. To the best of our knowledge, ours is the first regret bound for generalized linear bandits with subexponential tails, broadening the class of problems to include Poisson, exponential and gamma bandits.

One of the central goals of neuroscience is to gain a mechanistic understanding of how the dynamics of neural circuits give rise to their observed function. A popular approach towards this end is to train recurrent neural networks (RNNs) to reproduce experimental recordings of neural activity. These trained RNNs are then treated as surrogate models of biological neural circuits, whose properties can be dissected via dynamical systems analysis. How reliable are the mechanistic insights derived from this procedure? While recent advances in population-level recording technologies have allowed simultaneous recording of up to tens of thousands of neurons, this represents only a tiny fraction of most cortical circuits. Here we show that observing only a subset of neurons in a circuit can create mechanistic mismatches between a simulated teacher network and a data-constrained student, even when the two networks have matching single-unit dynamics. In particular, we show that partial observation of models of low-dimensional cortical dynamics based on functionally feedforward or low-rank connectivity can lead to surrogate models with spurious attractor structure. In total, our results illustrate the challenges inherent in accurately uncovering neural mechanisms from single-trial data, and suggest the need for new methods of validating data-constrained models for neural dynamics.